1979 lines
195 KiB
Plaintext
1979 lines
195 KiB
Plaintext
main_MD> Reading input file
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read_input> Process type: melting
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Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
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read_input> Input for metadynamics has been read
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read_input> Metadynamics has not been chosen.
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read_input> Reading initial positions fromtoMelt_38.xyz
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read_input> Finish reading initial positions
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read_input> Validating positions
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read_input> Initializing random number generator
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read_input> Checking program
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read_rgl> START READING FILE ../pot.pot
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read_rgl>> END READING FILE ../pot.pot
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READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
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READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
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read_rgl> PARAMETERS SELECTION
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FOR IMET1 :: Ag 4
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ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
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p :: 10.850000000000000 q :: 3.1800000000000002
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ATOMIC RADIUS :: 1.4450000999999999
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choice_pot> values:
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frac = 0.12062503764379931 arete = 4.0870774781009569
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choice_pot> mass is== 108.00000000000000 for elem1=
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read_input> ntipo1 = 38 ntipo2 = 0
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read_input> Finish reading input
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main_MD> Allocating global variables
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main_MD> Number of outputs that will be created: 1750
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main_MD> Size of nv and nvoiz: 38 3800
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main_MD> Size of nv and nvoiz: 38 3800
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main_MD> Number of time-steps (npas) = 50000
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main_MD> Number of CVs (num_cv) = 1
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main_MD> Max allowed number of atoms = 2900
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main_MD> Max number of atoms = 38
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main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
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main_MD> collvar_wanted = F
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main_MD> INPUT AND POTENTIAL FILE READING IS DONE
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main_MD> THERMALIZATION IS STARTING
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init> -2.9766800604648244E-002 -5.7574000650024527E-002 -2.8361637663235451E-002 initial drift of cluster / NP1 for coalescence
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init> 0.32781905224387115 0.31395574840040796 0.28938775539119976 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.9355495503022896E-003
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preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
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preparo> END t=0 TIME STEP
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -2.36179 4.09274 0.15376
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force_rgl> df(natom) -1.11025 -0.17240 -0.57070
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preparo> THERMALIZATION PROCESS AT 325.85854596230263
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -92.591510897212075 1.6029024342763711 -94.194413331488448 3.7863976278239140E-004
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preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
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main_MD> Time-loop is starting for melting
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main_MD> Now the computation of EXECUTION TIME starts
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main_MD> Running from loop 1 to 35
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MELTING PROCESS: loop number 1 T-loop= 350.00000000000000
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main_MD> interactions number 1 at Temperature= 350.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.45671 1.05848 0.43247
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force_rgl> df(natom) -2.14610 -1.24513 -2.28290
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5.0000 -93.63456 -91.79012 1.84444 1.77469 -92.04086 365.22962
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10.0000 -93.79942 -92.07577 1.72365 1.79128 -91.85338 373.21662
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15.0000 -93.94587 -92.35802 1.58784 1.77315 -92.05829 365.74315
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20.0000 -93.98113 -92.21844 1.76269 1.74757 -92.34746 331.63747
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25.0000 -93.70426 -91.62860 2.07566 1.77409 -92.04763 355.42101
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30.0000 -93.70355 -91.86292 1.84063 1.80126 -91.74057 395.36278
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35.0000 -93.82062 -91.86814 1.95248 1.80479 -91.70067 398.87739
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40.0000 -93.71272 -91.74012 1.97261 1.80651 -91.68123 404.32475
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45.0000 -93.63736 -91.88978 1.74758 1.77258 -92.06475 332.06333
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50.0000 -93.50684 -91.93210 1.57473 1.78987 -91.86927 347.02951
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55.0000 -93.62808 -92.03282 1.59526 1.78699 -91.90183 345.42866
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60.0000 -93.79144 -91.67625 2.11519 1.80700 -91.67572 382.17470
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65.0000 -94.01571 -92.11154 1.90416 1.79826 -91.77454 377.25245
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70.0000 -94.06942 -92.55888 1.51053 1.76752 -92.12198 347.26859
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75.0000 -93.59315 -91.83596 1.75718 1.77747 -92.00947 355.72276
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80.0000 -93.91502 -92.41247 1.50255 1.78601 -91.91295 362.59864
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85.0000 -94.07053 -92.70162 1.36891 1.74282 -92.40112 319.72579
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90.0000 -94.00697 -92.25824 1.74873 1.73834 -92.45177 317.57252
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95.0000 -94.00652 -92.28745 1.71907 1.76165 -92.18826 355.57065
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100.0000 -94.25589 -92.00067 2.25522 1.76500 -92.15040 377.90544
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105.0000 -93.61174 -91.88574 1.72600 1.78567 -91.91677 390.95364
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110.0000 -93.86765 -92.13609 1.73155 1.76708 -92.12691 362.41749
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115.0000 -93.82359 -92.28213 1.54146 1.77550 -92.03175 361.96623
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120.0000 -93.73527 -91.74228 1.99298 1.77761 -92.00785 367.54732
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125.0000 -93.85509 -91.99712 1.85797 1.78234 -91.95446 378.45165
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130.0000 -93.79927 -92.26352 1.53576 1.74933 -92.32753 338.73192
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135.0000 -93.72229 -92.22689 1.49541 1.75823 -92.22693 341.96705
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140.0000 -93.99468 -92.24971 1.74497 1.75904 -92.21777 341.77449
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145.0000 -93.54708 -91.80189 1.74519 1.77238 -92.06697 353.32162
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150.0000 -94.06046 -91.95909 2.10138 1.78807 -91.88967 387.05342
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155.0000 -93.71108 -92.20186 1.50922 1.76045 -92.20187 354.55274
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160.0000 -94.03380 -91.66850 2.36530 1.79184 -91.84706 394.49732
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165.0000 -93.80678 -91.79052 2.01626 1.80624 -91.68425 397.04984
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170.0000 -94.21474 -92.67352 1.54123 1.72976 -92.54870 328.12705
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175.0000 -94.20691 -92.28872 1.91820 1.74911 -92.32998 338.69077
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180.0000 -94.12576 -92.38935 1.73641 1.73891 -92.44527 335.75290
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185.0000 -93.83569 -92.11231 1.72337 1.77857 -91.99709 378.36250
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190.0000 -94.27282 -92.43401 1.83881 1.76527 -92.14732 369.40726
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195.0000 -93.64595 -92.19398 1.45197 1.73380 -92.50304 326.99992
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200.0000 -94.17396 -92.07440 2.09956 1.76450 -92.15605 368.52645
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205.0000 -94.02289 -92.45946 1.56343 1.75179 -92.29970 354.14516
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210.0000 -93.90530 -92.29758 1.60771 1.75156 -92.30231 352.24202
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215.0000 -94.01454 -92.35115 1.66339 1.75162 -92.30168 350.09013
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220.0000 -94.39053 -92.61743 1.77310 1.73692 -92.46782 329.74571
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225.0000 -94.28370 -92.34222 1.94148 1.73453 -92.49482 339.99300
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230.0000 -94.19808 -92.13136 2.06672 1.77135 -92.07862 369.74055
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235.0000 -93.87374 -92.10459 1.76915 1.75585 -92.25383 358.56242
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240.0000 -93.80521 -91.92207 1.88313 1.79341 -91.82928 394.28671
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245.0000 -93.50580 -91.53793 1.96787 1.79352 -91.82811 400.11061
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250.0000 -93.79158 -92.24078 1.55080 1.78564 -91.91715 384.71416
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MELTING PROCESS: loop number 2 T-loop= 375.00000000000000
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main_MD> interactions number 2 at Temperature= 375.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -3.47578 -0.60746 0.75920
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force_rgl> df(natom) -2.04247 -1.19763 -4.73002
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255.0000 -94.46383 -92.89278 1.57105 1.70962 -92.77634 309.44627
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260.0000 -94.03669 -92.12131 1.91538 1.73457 -92.49442 337.14372
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265.0000 -93.61898 -91.60337 2.01561 1.79394 -91.82330 394.22048
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270.0000 -94.21659 -92.31406 1.90253 1.76946 -92.10001 369.73640
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275.0000 -94.01889 -91.94352 2.07537 1.75942 -92.21352 359.28895
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280.0000 -93.55824 -91.51675 2.04148 1.80371 -91.71290 389.46862
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285.0000 -93.88114 -91.92039 1.96075 1.79208 -91.84431 375.87922
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290.0000 -93.77526 -91.71333 2.06193 1.78997 -91.86822 382.36984
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295.0000 -93.87387 -91.88702 1.98685 1.76795 -92.11710 360.03517
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300.0000 -93.39449 -91.50091 1.89358 1.80968 -91.64536 410.12415
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305.0000 -93.56867 -90.63904 2.92963 1.89300 -90.70361 492.49562
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310.0000 -93.59446 -91.89049 1.70396 1.82621 -91.45857 402.35252
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315.0000 -93.74506 -92.01938 1.72568 1.78267 -91.95073 357.35984
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320.0000 -93.43028 -91.58618 1.84410 1.80288 -91.72229 387.26376
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325.0000 -93.37330 -91.35330 2.02000 1.82916 -91.42528 399.24156
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330.0000 -93.74810 -91.62161 2.12649 1.84023 -91.30015 428.11159
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335.0000 -93.38405 -90.92265 2.46140 1.82377 -91.48616 406.41654
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340.0000 -93.82705 -91.78234 2.04471 1.81552 -91.57934 399.63944
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345.0000 -93.71840 -91.68094 2.03747 1.78461 -91.92876 363.99747
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350.0000 -93.74865 -91.99570 1.75295 1.79260 -91.83844 375.61205
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355.0000 -93.69140 -91.61142 2.07998 1.80084 -91.74527 376.53264
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360.0000 -93.68195 -91.56692 2.11502 1.83239 -91.38869 409.03519
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365.0000 -93.26160 -91.42035 1.84125 1.83499 -91.35937 426.85536
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370.0000 -93.23805 -91.38623 1.85181 1.82702 -91.44944 417.98042
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375.0000 -93.52685 -91.91473 1.61212 1.82133 -91.51371 408.90948
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380.0000 -93.66115 -91.73982 1.92133 1.79931 -91.76262 384.24765
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385.0000 -93.74463 -92.27225 1.47238 1.77827 -92.00044 359.49102
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390.0000 -93.61151 -91.92281 1.68870 1.79746 -91.78351 383.26802
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395.0000 -93.53701 -91.56032 1.97669 1.79951 -91.76030 376.81672
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400.0000 -94.05249 -91.92638 2.12611 1.80099 -91.74359 389.45364
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405.0000 -93.52362 -91.69502 1.82860 1.79147 -91.85126 366.43437
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410.0000 -93.34637 -91.73906 1.60731 1.79648 -91.79462 365.23546
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415.0000 -93.30835 -91.51074 1.79761 1.81442 -91.59182 382.62018
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420.0000 -93.91920 -92.22307 1.69613 1.80737 -91.67146 383.87601
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425.0000 -93.59509 -91.60391 1.99118 1.79979 -91.75722 391.25448
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430.0000 -93.16419 -91.75271 1.41148 1.81137 -91.62626 398.06590
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435.0000 -93.79414 -91.66211 2.13203 1.81568 -91.57754 402.53100
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440.0000 -93.65772 -91.37382 2.28390 1.80906 -91.65243 396.45131
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445.0000 -93.66156 -91.87917 1.78239 1.83634 -91.34410 437.00051
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450.0000 -93.80940 -91.90595 1.90345 1.76914 -92.10364 369.87157
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455.0000 -94.03032 -92.24305 1.78727 1.75560 -92.25663 357.01533
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460.0000 -94.27488 -92.77872 1.49616 1.74700 -92.35386 347.31842
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465.0000 -94.16185 -92.20475 1.95710 1.74751 -92.34806 346.31661
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470.0000 -94.17448 -93.07129 1.10319 1.71144 -92.75578 304.07598
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475.0000 -94.25868 -92.69630 1.56238 1.69710 -92.91791 288.98038
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480.0000 -93.99038 -92.15311 1.83728 1.74838 -92.33826 339.80236
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485.0000 -93.53098 -92.15456 1.37641 1.77952 -91.98626 368.71112
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490.0000 -93.78976 -91.69678 2.09299 1.78318 -91.94491 383.28770
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495.0000 -93.85402 -92.13838 1.71564 1.78985 -91.86953 384.49087
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500.0000 -93.82998 -92.13091 1.69907 1.74872 -92.33447 322.89655
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MELTING PROCESS: loop number 3 T-loop= 400.00000000000000
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main_MD> interactions number 3 at Temperature= 400.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 3.67117 1.51264 2.92612
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force_rgl> df(natom) -2.44891 0.58095 2.50738
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505.0000 -93.62090 -91.87587 1.74502 1.78173 -91.96132 387.04709
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510.0000 -93.29554 -91.36511 1.93042 1.79354 -91.82788 394.65465
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515.0000 -93.98264 -91.85187 2.13076 1.82433 -91.47981 419.08169
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520.0000 -94.05973 -91.94715 2.11259 1.78984 -91.86963 386.89655
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525.0000 -93.70949 -91.87481 1.83468 1.77785 -92.00520 379.66396
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530.0000 -93.32106 -91.16436 2.15671 1.82132 -91.51386 410.65331
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535.0000 -93.73120 -91.20384 2.52736 1.85409 -91.14344 439.88936
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540.0000 -93.39746 -91.11887 2.27859 1.82437 -91.47942 404.50308
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545.0000 -93.01750 -90.94255 2.07495 1.85533 -91.12942 449.98755
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550.0000 -93.99569 -91.94127 2.05442 1.79869 -91.76964 389.32581
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555.0000 -93.59289 -91.72365 1.86924 1.77785 -92.00520 357.96463
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560.0000 -93.93631 -92.08438 1.85192 1.79367 -91.82636 370.01919
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565.0000 -93.49731 -91.57347 1.92383 1.79915 -91.76439 372.46949
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570.0000 -93.01157 -90.92594 2.08563 1.84009 -91.30166 408.44501
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575.0000 -92.91493 -90.90477 2.01017 1.86177 -91.05661 435.60166
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580.0000 -93.39601 -91.51179 1.88421 1.83673 -91.33962 431.62361
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585.0000 -93.16626 -91.61717 1.54908 1.81114 -91.62888 383.94978
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590.0000 -93.40920 -91.74417 1.66502 1.80911 -91.65189 389.26531
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595.0000 -93.23941 -91.33112 1.90829 1.82819 -91.43620 412.45956
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600.0000 -93.53179 -91.60672 1.92507 1.84411 -91.25622 433.42228
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605.0000 -93.28368 -91.31777 1.96591 1.84116 -91.28965 426.04819
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610.0000 -93.15223 -90.88424 2.26800 1.83466 -91.36307 439.21388
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615.0000 -93.62597 -91.41809 2.20788 1.84175 -91.28293 429.70376
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620.0000 -93.23276 -90.96534 2.26742 1.83071 -91.40771 390.52006
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625.0000 -93.15703 -90.79634 2.36069 1.88621 -90.78037 452.83354
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630.0000 -93.03438 -90.35627 2.67811 1.89834 -90.64330 459.72928
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635.0000 -93.09308 -90.49981 2.59328 1.92445 -90.34821 502.46990
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640.0000 -93.20414 -91.51334 1.69080 1.86253 -91.04804 409.62666
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645.0000 -93.60927 -91.55810 2.05117 1.82601 -91.46079 373.36649
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650.0000 -93.56858 -91.98449 1.58409 1.81313 -91.60644 368.98591
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655.0000 -93.22198 -91.71032 1.51166 1.78258 -91.95168 341.45866
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660.0000 -93.47636 -91.20774 2.26862 1.81218 -91.61717 368.85769
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665.0000 -93.62160 -91.50815 2.11345 1.84571 -91.23814 405.64854
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670.0000 -93.18277 -91.21358 1.96920 1.82681 -91.45184 383.07824
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675.0000 -93.34972 -91.62952 1.72020 1.80622 -91.68450 360.91072
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680.0000 -93.03020 -90.86481 2.16540 1.84397 -91.25780 403.43115
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685.0000 -93.59592 -91.15581 2.44011 1.83993 -91.30354 406.62836
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690.0000 -93.45840 -91.82330 1.63511 1.79116 -91.85471 365.85811
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695.0000 -93.04824 -91.22093 1.82732 1.82994 -91.41646 398.79836
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700.0000 -93.40266 -91.81732 1.58534 1.83120 -91.40215 400.11632
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705.0000 -93.49355 -91.89098 1.60258 1.78470 -91.92776 347.99363
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710.0000 -93.17171 -91.35335 1.81836 1.82787 -91.43982 389.19920
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715.0000 -93.80096 -91.92366 1.87730 1.79358 -91.82743 383.43134
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720.0000 -93.45046 -91.80062 1.64984 1.78627 -91.90995 376.25429
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725.0000 -93.52198 -91.36238 2.15960 1.84370 -91.26092 446.04782
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730.0000 -93.64936 -91.53583 2.11353 1.83592 -91.34883 437.02595
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735.0000 -93.85472 -91.93434 1.92038 1.78769 -91.89391 389.20885
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740.0000 -93.83321 -92.21283 1.62039 1.78067 -91.97328 386.19313
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745.0000 -94.05774 -92.20827 1.84947 1.75351 -92.28024 353.76726
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750.0000 -93.77470 -91.71427 2.06043 1.81396 -91.59700 402.82871
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MELTING PROCESS: loop number 4 T-loop= 425.00000000000000
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main_MD> interactions number 4 at Temperature= 425.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 2.04069 0.52007 0.84190
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force_rgl> df(natom) -1.86398 0.91442 -0.49258
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755.0000 -94.32850 -92.64403 1.68446 1.76923 -92.10264 364.42359
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760.0000 -94.01387 -91.96060 2.05327 1.77554 -92.03128 373.05926
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765.0000 -93.43065 -91.93192 1.49873 1.76295 -92.17362 364.60563
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770.0000 -93.80955 -91.99306 1.81649 1.77092 -92.08347 382.61157
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775.0000 -93.82484 -92.03806 1.78678 1.78866 -91.88302 403.16876
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780.0000 -93.67091 -92.17371 1.49720 1.79042 -91.86310 374.72941
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785.0000 -93.40153 -91.82751 1.57402 1.79547 -91.80600 390.83538
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790.0000 -94.19608 -92.37321 1.82287 1.80092 -91.74444 400.74617
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795.0000 -93.76833 -91.66232 2.10601 1.78849 -91.88492 393.86093
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800.0000 -93.43056 -91.35505 2.07551 1.81729 -91.55934 401.05784
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805.0000 -93.69305 -91.51291 2.18015 1.81277 -91.61044 404.24176
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810.0000 -93.48368 -91.25430 2.22937 1.82685 -91.45132 436.12234
|
|
815.0000 -93.70966 -91.63478 2.07488 1.82610 -91.45986 411.08743
|
|
820.0000 -93.52694 -91.95566 1.57127 1.80094 -91.74415 387.54884
|
|
825.0000 -93.35461 -91.30565 2.04896 1.80288 -91.72224 399.45258
|
|
830.0000 -93.70065 -91.41287 2.28778 1.83427 -91.36746 421.05306
|
|
835.0000 -93.30001 -91.29500 2.00501 1.83852 -91.31943 439.30863
|
|
840.0000 -93.76175 -91.88116 1.88060 1.83151 -91.39870 425.38671
|
|
845.0000 -93.26583 -90.98427 2.28156 1.80800 -91.66434 393.96963
|
|
850.0000 -93.83970 -91.61648 2.22322 1.84484 -91.24802 432.73414
|
|
855.0000 -93.44978 -91.11654 2.33324 1.84369 -91.26101 429.24708
|
|
860.0000 -92.88138 -90.93508 1.94630 1.87325 -90.92693 468.47471
|
|
865.0000 -92.95973 -91.18336 1.77637 1.86440 -91.02695 446.96681
|
|
870.0000 -93.54172 -91.35593 2.18579 1.81698 -91.56291 397.04510
|
|
875.0000 -93.56349 -91.11476 2.44873 1.84079 -91.29379 413.70346
|
|
880.0000 -92.97258 -90.86186 2.11072 1.87963 -90.85480 438.16941
|
|
885.0000 -93.03960 -91.01714 2.02245 1.86223 -91.05146 424.38474
|
|
890.0000 -93.54169 -91.93005 1.61164 1.80837 -91.66019 394.69108
|
|
895.0000 -92.94888 -90.68997 2.25891 1.82949 -91.42149 409.88842
|
|
900.0000 -92.52027 -90.29070 2.22957 1.88949 -90.74335 453.64609
|
|
905.0000 -92.80335 -90.93469 1.86865 1.89224 -90.71226 470.21774
|
|
910.0000 -92.76813 -90.85533 1.91279 1.88591 -90.78384 458.61775
|
|
915.0000 -93.01318 -90.79118 2.22200 1.84759 -91.21694 432.53787
|
|
920.0000 -93.22614 -90.96597 2.26017 1.86651 -91.00306 445.01728
|
|
925.0000 -93.76801 -91.98353 1.78448 1.83810 -91.32420 416.70048
|
|
930.0000 -93.60152 -91.33428 2.26724 1.82734 -91.44581 401.35702
|
|
935.0000 -92.87377 -91.15278 1.72100 1.86553 -91.01409 436.80422
|
|
940.0000 -93.66683 -91.08341 2.58343 1.84664 -91.22769 428.09400
|
|
945.0000 -92.36212 -90.69004 1.67208 1.88217 -90.82601 479.86117
|
|
950.0000 -93.20550 -91.12367 2.08183 1.88787 -90.76164 455.96469
|
|
955.0000 -93.14984 -91.21206 1.93778 1.86265 -91.04664 434.10444
|
|
960.0000 -93.03957 -91.14345 1.89612 1.84003 -91.30241 414.15347
|
|
965.0000 -93.34771 -91.51301 1.83470 1.83925 -91.31121 424.52125
|
|
970.0000 -94.03730 -92.02343 2.01387 1.81788 -91.55276 413.07697
|
|
975.0000 -93.32752 -91.50029 1.82722 1.80334 -91.71702 395.95241
|
|
980.0000 -92.80358 -90.73110 2.07249 1.86125 -91.06256 438.78428
|
|
985.0000 -92.73570 -90.75914 1.97656 1.90276 -90.59329 479.64328
|
|
990.0000 -93.29329 -90.85965 2.43364 1.85057 -91.18322 441.77851
|
|
995.0000 -92.98670 -90.75200 2.23470 1.85936 -91.08387 435.40517
|
|
1000.0000 -93.88856 -91.92305 1.96552 1.82512 -91.47092 421.64837
|
|
MELTING PROCESS: loop number 5 T-loop= 450.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 450.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.10449 -1.61929 -1.91641
|
|
force_rgl> df(natom) 2.35318 -0.43987 1.24157
|
|
1005.0000 -93.58458 -90.94703 2.63755 1.81325 -91.60504 404.44932
|
|
1010.0000 -92.54380 -90.52710 2.01671 1.88714 -90.76987 457.34293
|
|
1015.0000 -92.95785 -90.52044 2.43740 1.90744 -90.54046 491.92723
|
|
1020.0000 -92.91443 -89.87698 3.03745 1.90741 -90.54074 471.24133
|
|
1025.0000 -92.66710 -90.49659 2.17051 1.90175 -90.60479 485.98639
|
|
1030.0000 -92.68620 -90.43313 2.25307 1.88100 -90.83925 446.26262
|
|
1035.0000 -92.63981 -90.52206 2.11775 1.90570 -90.56014 471.00246
|
|
1040.0000 -92.90973 -90.54550 2.36423 1.90680 -90.54766 469.61769
|
|
1045.0000 -92.69543 -90.08671 2.60872 1.92593 -90.33141 494.57901
|
|
1050.0000 -92.53672 -90.32199 2.21473 1.92332 -90.36093 500.60053
|
|
1055.0000 -93.18002 -90.81077 2.36924 1.89740 -90.65386 478.96025
|
|
1060.0000 -92.83570 -90.53887 2.29683 1.90481 -90.57014 469.81074
|
|
1065.0000 -92.90932 -90.52220 2.38712 1.86878 -90.97738 417.60074
|
|
1070.0000 -93.14099 -90.79639 2.34460 1.90085 -90.61488 469.66074
|
|
1075.0000 -93.18131 -91.14703 2.03427 1.88536 -90.79002 457.12836
|
|
1080.0000 -93.14580 -91.26295 1.88285 1.83082 -91.40652 407.77314
|
|
1085.0000 -93.04431 -90.95166 2.09265 1.87671 -90.88781 466.71515
|
|
1090.0000 -93.29896 -91.16505 2.13390 1.87318 -90.92764 465.44556
|
|
1095.0000 -92.83460 -90.69646 2.13814 1.84578 -91.23737 432.47723
|
|
1100.0000 -92.73592 -90.86052 1.87541 1.86029 -91.07337 413.36545
|
|
1105.0000 -92.92740 -90.45234 2.47506 1.90366 -90.58315 446.84554
|
|
1110.0000 -93.44427 -91.16326 2.28101 1.88480 -90.79630 480.20723
|
|
1115.0000 -93.78445 -91.65427 2.13018 1.80548 -91.69291 407.27073
|
|
1120.0000 -93.13925 -91.19269 1.94656 1.79885 -91.76778 386.62090
|
|
1125.0000 -92.94116 -90.98394 1.95722 1.84743 -91.21877 416.88571
|
|
1130.0000 -93.11478 -91.21735 1.89743 1.87938 -90.85761 467.35367
|
|
1135.0000 -93.58071 -91.42141 2.15930 1.83032 -91.41210 420.04496
|
|
1140.0000 -93.57418 -90.99292 2.58126 1.87200 -90.94100 457.21550
|
|
1145.0000 -92.87613 -91.11114 1.76499 1.86242 -91.04924 446.05549
|
|
1150.0000 -93.06751 -90.61268 2.45483 1.89594 -90.67047 475.61233
|
|
1155.0000 -93.37666 -91.00573 2.37093 1.90912 -90.52142 485.57839
|
|
1160.0000 -93.15707 -91.27158 1.88549 1.87768 -90.87683 467.05316
|
|
1165.0000 -93.59804 -91.17497 2.42307 1.84192 -91.28098 440.44437
|
|
1170.0000 -92.47612 -90.17079 2.30533 1.84247 -91.27482 436.80237
|
|
1175.0000 -93.55399 -90.70948 2.84451 1.87858 -90.86666 451.40700
|
|
1180.0000 -93.71836 -91.98862 1.72974 1.84729 -91.22035 429.73180
|
|
1185.0000 -93.35783 -91.19007 2.16775 1.84940 -91.19650 437.26815
|
|
1190.0000 -93.22287 -90.80626 2.41662 1.84136 -91.28732 422.60884
|
|
1195.0000 -92.72663 -90.43647 2.29016 1.91338 -90.47334 483.81770
|
|
1200.0000 -92.55514 -90.25025 2.30489 1.92034 -90.39467 496.69752
|
|
1205.0000 -93.53776 -91.42036 2.11741 1.88297 -90.81701 472.32111
|
|
1210.0000 -93.22471 -90.82408 2.40063 1.85274 -91.15865 415.08931
|
|
1215.0000 -93.16154 -90.83027 2.33127 1.87368 -90.92205 480.61548
|
|
1220.0000 -93.28297 -90.87924 2.40373 1.85196 -91.16752 433.47777
|
|
1225.0000 -93.24978 -90.95131 2.29847 1.88196 -90.82839 456.72803
|
|
1230.0000 -93.27135 -91.19882 2.07253 1.87104 -90.95181 464.37948
|
|
1235.0000 -93.15520 -90.97210 2.18310 1.87252 -90.93510 458.02924
|
|
1240.0000 -93.75879 -91.79974 1.95905 1.83292 -91.38268 446.40901
|
|
1245.0000 -93.30530 -91.25289 2.05241 1.85978 -91.07910 449.78649
|
|
1250.0000 -93.16855 -91.08192 2.08663 1.88234 -90.82410 447.50799
|
|
MELTING PROCESS: loop number 6 T-loop= 475.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 475.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.17768 -3.86589 -1.78258
|
|
force_rgl> df(natom) 0.65412 -0.74359 0.23965
|
|
1255.0000 -93.48978 -90.59456 2.89522 1.88868 -90.75252 480.38268
|
|
1260.0000 -92.68553 -90.96171 1.72382 1.87637 -90.89163 469.06705
|
|
1265.0000 -93.14134 -90.86316 2.27818 1.86649 -91.00325 422.65024
|
|
1270.0000 -93.56144 -90.34724 3.21420 1.91423 -90.46371 491.24341
|
|
1275.0000 -92.73076 -90.54517 2.18560 1.94979 -90.06174 529.12444
|
|
1280.0000 -92.82262 -90.61446 2.20816 1.92543 -90.33712 496.11498
|
|
1285.0000 -92.51253 -90.16916 2.34336 1.95924 -89.95500 517.90057
|
|
1290.0000 -93.25213 -90.83517 2.41696 1.91443 -90.46138 479.68349
|
|
1295.0000 -93.11426 -90.70163 2.41263 1.88216 -90.82619 452.00009
|
|
1300.0000 -93.40563 -91.05779 2.34783 1.86281 -91.04492 423.11721
|
|
1305.0000 -93.10382 -90.89439 2.20943 1.87397 -90.91875 454.63906
|
|
1310.0000 -93.16192 -90.54706 2.61486 1.88530 -90.79065 447.09313
|
|
1315.0000 -92.79966 -90.49011 2.30954 1.90655 -90.55051 478.66141
|
|
1320.0000 -92.99649 -90.97243 2.02406 1.89628 -90.66660 474.81307
|
|
1325.0000 -93.02349 -90.89407 2.12942 1.85742 -91.10581 448.17385
|
|
1330.0000 -94.04096 -91.48528 2.55568 1.86088 -91.06674 472.67419
|
|
1335.0000 -93.20112 -91.18554 2.01558 1.83445 -91.36543 440.53364
|
|
1340.0000 -92.92370 -90.13856 2.78514 1.88628 -90.77956 480.80842
|
|
1345.0000 -93.24809 -90.44623 2.80186 1.93856 -90.18864 520.70612
|
|
1350.0000 -93.31763 -91.31250 2.00513 1.88505 -90.79352 486.36047
|
|
1355.0000 -93.45803 -91.23585 2.22217 1.85272 -91.15888 446.39693
|
|
1360.0000 -93.31989 -90.63865 2.68124 1.87174 -90.94398 488.44608
|
|
1365.0000 -92.38395 -89.89941 2.48454 1.94621 -90.10228 548.86550
|
|
1370.0000 -92.73034 -90.81497 1.91537 1.92016 -90.39666 499.03196
|
|
1375.0000 -92.97911 -90.31804 2.66106 1.92151 -90.38141 485.77901
|
|
1380.0000 -92.30808 -90.00144 2.30664 1.94890 -90.07187 528.19043
|
|
1385.0000 -92.91253 -90.65592 2.25660 1.88884 -90.75067 470.33988
|
|
1390.0000 -93.01660 -91.07977 1.93682 1.87520 -90.90490 466.39496
|
|
1395.0000 -93.47198 -91.33285 2.13913 1.85155 -91.17220 454.29004
|
|
1400.0000 -93.22764 -90.79251 2.43512 1.85658 -91.11529 450.28406
|
|
1405.0000 -92.40421 -90.49019 1.91402 1.87922 -90.85936 467.79025
|
|
1410.0000 -92.70449 -90.44742 2.25707 1.96165 -89.92771 541.63045
|
|
1415.0000 -93.40287 -91.12414 2.27873 1.90610 -90.55561 487.77224
|
|
1420.0000 -93.30877 -90.27824 3.03052 1.90607 -90.55594 496.10930
|
|
1425.0000 -92.21844 -89.56666 2.65178 1.95874 -89.96055 542.32218
|
|
1430.0000 -92.59080 -89.71209 2.87871 1.99186 -89.58630 578.68873
|
|
1435.0000 -93.52158 -90.95029 2.57129 1.90293 -90.59142 505.84943
|
|
1440.0000 -93.01621 -90.45938 2.55684 1.84497 -91.24648 443.41893
|
|
1445.0000 -92.96647 -89.90955 3.05691 1.93252 -90.25694 527.84034
|
|
1450.0000 -92.26197 -90.13330 2.12867 1.94225 -90.14693 518.03399
|
|
1455.0000 -92.59317 -90.36959 2.22358 1.92455 -90.34708 479.12075
|
|
1460.0000 -92.85638 -90.29857 2.55780 1.89620 -90.66750 449.98279
|
|
1465.0000 -92.19514 -89.81326 2.38187 1.95355 -90.01928 504.02862
|
|
1470.0000 -93.10916 -90.69681 2.41235 1.92635 -90.32676 518.51450
|
|
1475.0000 -93.49929 -91.33525 2.16404 1.85079 -91.18071 452.95861
|
|
1480.0000 -93.53438 -91.04571 2.48868 1.84765 -91.21623 433.49962
|
|
1485.0000 -93.33588 -90.79973 2.53615 1.87169 -90.94453 444.51455
|
|
1490.0000 -93.05346 -90.65855 2.39491 1.87187 -90.94253 442.86640
|
|
1495.0000 -93.07477 -90.87347 2.20130 1.89778 -90.64959 507.38536
|
|
1500.0000 -92.77093 -90.55397 2.21696 1.87066 -90.95615 453.36553
|
|
MELTING PROCESS: loop number 7 T-loop= 500.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 500.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.73148 1.14147 1.12691
|
|
force_rgl> df(natom) -0.00588 0.81736 -0.08728
|
|
1505.0000 -93.38275 -90.61489 2.76786 1.91511 -90.45369 497.52693
|
|
1510.0000 -92.73928 -89.83039 2.90890 1.92372 -90.35645 506.22966
|
|
1515.0000 -92.74270 -90.36330 2.37940 1.93945 -90.17860 527.81368
|
|
1520.0000 -93.11723 -91.02652 2.09072 1.89505 -90.68044 504.99702
|
|
1525.0000 -92.55791 -90.39975 2.15816 1.88619 -90.78063 480.41981
|
|
1530.0000 -92.88469 -90.54065 2.34404 1.92707 -90.31857 508.51863
|
|
1535.0000 -93.15016 -90.67305 2.47711 1.91652 -90.43785 499.19929
|
|
1540.0000 -92.66993 -90.09302 2.57692 1.87945 -90.85677 463.16492
|
|
1545.0000 -92.16510 -89.38184 2.78326 1.94139 -90.15672 521.37439
|
|
1550.0000 -92.73952 -89.98967 2.74985 1.98151 -89.70324 528.65194
|
|
1555.0000 -92.63949 -89.88730 2.75219 1.95567 -89.99528 509.35495
|
|
1560.0000 -92.60114 -90.03397 2.56717 1.91582 -90.44572 518.10431
|
|
1565.0000 -92.45815 -89.98076 2.47739 1.96225 -89.92093 512.30347
|
|
1570.0000 -92.85068 -90.74615 2.10453 1.93671 -90.20957 496.45983
|
|
1575.0000 -92.68205 -89.71140 2.97065 1.92734 -90.31553 471.04004
|
|
1580.0000 -93.09624 -89.80666 3.28958 1.96246 -89.91860 529.56731
|
|
1585.0000 -92.44858 -89.78217 2.66641 1.97407 -89.78731 540.30144
|
|
1590.0000 -91.57765 -89.15903 2.41862 2.00196 -89.47209 560.56935
|
|
1595.0000 -92.70952 -89.74525 2.96427 1.99703 -89.52781 562.61841
|
|
1600.0000 -92.95658 -90.39083 2.56575 1.93224 -90.26010 501.85737
|
|
1605.0000 -92.50258 -90.36929 2.13330 1.91142 -90.49551 467.16589
|
|
1610.0000 -92.82046 -90.88597 1.93449 1.90234 -90.59810 469.81543
|
|
1615.0000 -92.92452 -90.79978 2.12473 1.88011 -90.84935 472.80316
|
|
1620.0000 -93.04040 -90.56784 2.47257 1.92167 -90.37957 507.40240
|
|
1625.0000 -93.18585 -91.16941 2.01644 1.86506 -91.01947 465.27163
|
|
1630.0000 -93.47368 -91.07895 2.39473 1.83723 -91.33402 416.14613
|
|
1635.0000 -93.55895 -91.14876 2.41019 1.88026 -90.84765 472.08257
|
|
1640.0000 -92.82070 -90.76296 2.05774 1.86803 -90.98584 449.03648
|
|
1645.0000 -92.83445 -90.50309 2.33136 1.89472 -90.68415 481.29713
|
|
1650.0000 -93.06015 -90.78738 2.27277 1.89635 -90.66574 503.14215
|
|
1655.0000 -93.01219 -90.88275 2.12944 1.85897 -91.08825 456.26600
|
|
1660.0000 -93.46316 -90.47643 2.98673 1.89066 -90.73007 477.52501
|
|
1665.0000 -92.85050 -89.99353 2.85697 1.92061 -90.39161 478.59458
|
|
1670.0000 -93.13113 -90.90949 2.22164 1.93941 -90.17907 523.39543
|
|
1675.0000 -92.91724 -90.62708 2.29016 1.89548 -90.67561 480.61102
|
|
1680.0000 -92.82377 -90.58901 2.23476 1.89533 -90.67730 498.89010
|
|
1685.0000 -92.78080 -90.34498 2.43582 1.93187 -90.26428 502.57459
|
|
1690.0000 -93.16634 -90.83110 2.33524 1.88438 -90.80108 443.52084
|
|
1695.0000 -92.69454 -89.97041 2.72413 1.90587 -90.55816 466.10768
|
|
1700.0000 -93.42008 -90.57628 2.84380 1.94977 -90.06200 529.09667
|
|
1705.0000 -93.37021 -90.65888 2.71133 1.89405 -90.69176 495.66032
|
|
1710.0000 -93.01194 -90.52541 2.48653 1.87039 -90.95919 460.76363
|
|
1715.0000 -93.02231 -90.61343 2.40888 1.87950 -90.85628 479.24642
|
|
1720.0000 -93.03113 -90.62396 2.40717 1.90252 -90.59604 508.53350
|
|
1725.0000 -93.12782 -90.57984 2.54798 1.88992 -90.73851 477.44467
|
|
1730.0000 -91.97074 -89.66138 2.30937 1.95539 -89.99842 520.34937
|
|
1735.0000 -92.03166 -89.43675 2.59491 2.01578 -89.31588 563.29734
|
|
1740.0000 -91.29707 -88.39069 2.90638 2.06729 -88.73366 616.62733
|
|
1745.0000 -92.44766 -90.02376 2.42390 2.03103 -89.14348 581.73651
|
|
1750.0000 -92.60266 -89.73659 2.86607 1.96978 -89.83587 525.06221
|
|
MELTING PROCESS: loop number 8 T-loop= 525.00000000000000
|
|
main_MD> interactions number 8 at Temperature= 525.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.26379 -4.32246 -1.99075
|
|
force_rgl> df(natom) -1.96346 -1.53861 -2.55191
|
|
1755.0000 -91.99829 -89.46396 2.53432 2.00134 -89.47906 568.31988
|
|
1760.0000 -92.15772 -90.35044 1.80729 1.99020 -89.60505 552.41940
|
|
1765.0000 -92.16513 -89.42005 2.74507 1.96426 -89.89820 536.33835
|
|
1770.0000 -92.14955 -89.18198 2.96757 2.01326 -89.34440 569.66314
|
|
1775.0000 -91.79312 -88.87895 2.91417 2.04970 -88.93252 609.90607
|
|
1780.0000 -92.96266 -90.71592 2.24675 1.98216 -89.69588 538.43924
|
|
1785.0000 -93.31855 -90.80071 2.51784 1.88626 -90.77982 443.24171
|
|
1790.0000 -93.24174 -91.16676 2.07498 1.88323 -90.81403 440.19472
|
|
1795.0000 -92.12154 -89.41676 2.70478 1.92769 -90.31152 529.99043
|
|
1800.0000 -93.00611 -90.51440 2.49170 1.95461 -90.00723 553.50280
|
|
1805.0000 -92.10252 -90.04381 2.05870 1.95504 -90.00237 546.07140
|
|
1810.0000 -91.52537 -88.99580 2.52957 1.99937 -89.50140 537.14030
|
|
1815.0000 -92.28619 -89.91814 2.36804 1.98891 -89.61955 529.11820
|
|
1820.0000 -92.46280 -89.54353 2.91927 1.97067 -89.82577 538.56951
|
|
1825.0000 -92.84066 -90.26826 2.57241 1.94797 -90.08234 539.40038
|
|
1830.0000 -92.41797 -89.74752 2.67045 1.92933 -90.29299 510.42091
|
|
1835.0000 -92.31117 -90.03109 2.28008 1.97061 -89.82648 563.40015
|
|
1840.0000 -92.86620 -89.94212 2.92408 1.97308 -89.79847 562.74037
|
|
1845.0000 -92.22843 -89.96088 2.26754 2.01708 -89.30118 575.37232
|
|
1850.0000 -92.69024 -90.32612 2.36411 1.96103 -89.93467 511.26621
|
|
1855.0000 -92.84718 -90.63102 2.21616 1.92821 -90.30573 496.08095
|
|
1860.0000 -91.92247 -89.71581 2.20666 1.92284 -90.36638 496.02998
|
|
1865.0000 -92.22275 -89.54998 2.67277 1.98863 -89.62274 525.61180
|
|
1870.0000 -93.27887 -90.78311 2.49576 1.89954 -90.62971 454.24381
|
|
1875.0000 -92.23914 -89.54078 2.69837 1.94081 -90.16322 528.69955
|
|
1880.0000 -91.99033 -89.81318 2.17716 1.95480 -90.00513 525.60693
|
|
1885.0000 -92.91787 -89.98506 2.93280 1.95981 -89.94845 523.54319
|
|
1890.0000 -92.23231 -90.24103 1.99128 1.94410 -90.12604 519.55270
|
|
1895.0000 -92.45362 -89.61330 2.84031 1.91946 -90.40455 501.35779
|
|
1900.0000 -92.24009 -89.87214 2.36795 1.96070 -89.93840 507.89168
|
|
1905.0000 -92.01593 -89.42364 2.59230 1.97070 -89.82537 531.80545
|
|
1910.0000 -91.48256 -88.95459 2.52796 2.04167 -89.02324 592.94192
|
|
1915.0000 -91.66141 -88.64295 3.01846 2.04241 -89.01483 582.59989
|
|
1920.0000 -91.02693 -88.20716 2.81977 2.09227 -88.45127 640.91473
|
|
1925.0000 -92.21005 -89.89462 2.31543 2.06140 -88.80022 603.58386
|
|
1930.0000 -92.71828 -89.75599 2.96229 1.94450 -90.12153 470.06765
|
|
1935.0000 -92.28534 -89.56526 2.72007 1.97244 -89.80575 538.41861
|
|
1940.0000 -91.87465 -88.84384 3.03081 1.99732 -89.52456 552.26035
|
|
1945.0000 -91.69250 -89.44460 2.24790 2.03516 -89.09689 587.15480
|
|
1950.0000 -92.14344 -88.66913 3.47431 2.03799 -89.06483 603.14870
|
|
1955.0000 -92.01194 -89.79293 2.21901 2.02121 -89.25452 575.27610
|
|
1960.0000 -92.75646 -90.15376 2.60270 1.95763 -89.97316 523.28891
|
|
1965.0000 -92.84753 -89.67984 3.16770 1.94235 -90.14589 525.58867
|
|
1970.0000 -93.40666 -90.63963 2.76703 1.92597 -90.33094 493.79824
|
|
1975.0000 -92.93145 -90.44799 2.48346 1.92943 -90.29190 508.89470
|
|
1980.0000 -92.97021 -90.75393 2.21628 1.88875 -90.75164 470.71217
|
|
1985.0000 -92.80460 -90.94418 1.86042 1.86400 -91.03148 432.80464
|
|
1990.0000 -92.62175 -90.80600 1.81574 1.88819 -90.75806 476.38152
|
|
1995.0000 -92.26767 -89.80707 2.46060 1.91842 -90.41630 492.28174
|
|
2000.0000 -92.40433 -90.14376 2.26056 1.97889 -89.73285 535.89058
|
|
MELTING PROCESS: loop number 9 T-loop= 550.00000000000000
|
|
main_MD> interactions number 9 at Temperature= 550.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.87525 -1.47864 -2.57073
|
|
force_rgl> df(natom) 1.14968 1.37511 -0.00959
|
|
2005.0000 -92.18102 -89.08000 3.10102 1.99235 -89.58074 538.23022
|
|
2010.0000 -92.69428 -89.34792 3.34637 1.99188 -89.58599 569.62521
|
|
2015.0000 -92.48551 -89.88148 2.60403 1.98546 -89.65854 553.54787
|
|
2020.0000 -92.38787 -89.37094 3.01693 1.98922 -89.61612 558.77403
|
|
2025.0000 -91.93968 -88.83455 3.10513 2.03631 -89.08380 601.46951
|
|
2030.0000 -92.27432 -90.00336 2.27096 1.99299 -89.57344 571.87626
|
|
2035.0000 -92.27735 -89.23443 3.04292 1.99125 -89.59312 550.53018
|
|
2040.0000 -91.50959 -89.14877 2.36082 2.03079 -89.14619 572.41841
|
|
2045.0000 -91.02580 -88.29551 2.73029 2.07609 -88.63416 611.69280
|
|
2050.0000 -92.17043 -88.97756 3.19287 2.07992 -88.59092 618.85399
|
|
2055.0000 -92.20297 -89.10663 3.09634 2.02794 -89.17843 612.89793
|
|
2060.0000 -92.36363 -89.46515 2.89847 1.99854 -89.51075 567.69052
|
|
2065.0000 -92.92565 -90.05193 2.87372 1.98020 -89.71810 554.15473
|
|
2070.0000 -92.89886 -89.82613 3.07273 1.96790 -89.85701 526.18566
|
|
2075.0000 -92.66565 -90.49188 2.17377 1.95163 -90.04101 520.49188
|
|
2080.0000 -92.03395 -90.09109 1.94286 1.93342 -90.24678 486.68689
|
|
2085.0000 -92.07976 -89.60766 2.47210 1.94382 -90.12923 502.01576
|
|
2090.0000 -92.65479 -89.11856 3.53623 2.00796 -89.40431 575.29823
|
|
2095.0000 -92.50778 -89.89569 2.61209 1.98536 -89.65975 552.02141
|
|
2100.0000 -92.70539 -90.04554 2.65985 1.93591 -90.21868 507.43439
|
|
2105.0000 -92.33861 -89.87838 2.46023 1.95606 -89.99093 494.69620
|
|
2110.0000 -92.47594 -89.94492 2.53101 1.97264 -89.80345 529.66581
|
|
2115.0000 -92.66147 -90.24459 2.41687 1.94713 -90.09188 531.55892
|
|
2120.0000 -92.40326 -90.12279 2.28047 1.95834 -89.96507 515.70670
|
|
2125.0000 -92.43263 -90.25277 2.17985 1.94404 -90.12678 491.21871
|
|
2130.0000 -92.18902 -89.91315 2.27588 1.95610 -89.99046 515.46542
|
|
2135.0000 -92.61420 -90.39222 2.22199 1.96601 -89.87841 516.96014
|
|
2140.0000 -92.57741 -90.28364 2.29378 1.94768 -90.08564 504.15680
|
|
2145.0000 -91.96198 -89.80779 2.15419 1.97569 -89.76902 514.98336
|
|
2150.0000 -91.87348 -89.34953 2.52394 2.03924 -89.05069 591.22732
|
|
2155.0000 -92.28628 -89.66072 2.62556 1.99772 -89.52003 556.10850
|
|
2160.0000 -92.91833 -89.39789 3.52043 2.00293 -89.46113 567.52302
|
|
2165.0000 -92.81332 -89.35399 3.45933 1.97432 -89.78451 583.56396
|
|
2170.0000 -92.30935 -89.77801 2.53135 2.00151 -89.47716 540.87457
|
|
2175.0000 -92.01627 -89.53777 2.47850 1.97754 -89.74809 559.59897
|
|
2180.0000 -92.35409 -89.98232 2.37177 1.95142 -90.04335 524.41221
|
|
2185.0000 -93.06274 -90.11807 2.94466 1.96908 -89.84374 528.18261
|
|
2190.0000 -91.94323 -89.39824 2.54498 1.98263 -89.69056 553.15840
|
|
2195.0000 -92.53760 -89.89527 2.64232 1.99839 -89.51242 563.59550
|
|
2200.0000 -92.48243 -89.66298 2.81944 1.98681 -89.64329 561.91146
|
|
2205.0000 -92.41314 -90.26074 2.15240 1.97708 -89.75331 553.07358
|
|
2210.0000 -92.57355 -89.93166 2.64189 1.97574 -89.76847 550.05041
|
|
2215.0000 -92.30867 -90.25277 2.05590 1.95296 -90.02597 523.24016
|
|
2220.0000 -92.26415 -89.98390 2.28024 1.95929 -89.95439 547.21220
|
|
2225.0000 -93.19851 -90.83548 2.36303 1.90832 -90.53047 481.65526
|
|
2230.0000 -93.26547 -91.00348 2.26199 1.87144 -90.94733 457.36951
|
|
2235.0000 -92.81930 -90.48721 2.33210 1.91215 -90.48716 519.80589
|
|
2240.0000 -92.84671 -90.48523 2.36148 1.87553 -90.90108 469.42421
|
|
2245.0000 -93.09164 -90.77256 2.31908 1.89064 -90.73029 489.89037
|
|
2250.0000 -93.06934 -90.54347 2.52587 1.88695 -90.77207 469.22586
|
|
MELTING PROCESS: loop number 10 T-loop= 575.00000000000000
|
|
main_MD> interactions number 10 at Temperature= 575.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.79772 -3.55278 0.05517
|
|
force_rgl> df(natom) -0.40002 -2.13691 -0.44441
|
|
2255.0000 -92.10362 -89.17453 2.92909 1.95652 -89.98572 562.26241
|
|
2260.0000 -91.81783 -89.03161 2.78622 2.02488 -89.21301 607.40447
|
|
2265.0000 -92.41945 -88.70127 3.71819 2.06894 -88.71507 672.52842
|
|
2270.0000 -92.31461 -89.69154 2.62306 2.04549 -88.98005 591.17312
|
|
2275.0000 -92.69965 -89.47996 3.21969 2.01384 -89.33778 551.02052
|
|
2280.0000 -92.66661 -90.09900 2.56761 1.99049 -89.60169 556.36420
|
|
2285.0000 -92.96687 -90.28688 2.67999 1.95051 -90.05364 538.39677
|
|
2290.0000 -92.28179 -89.45744 2.82436 1.97787 -89.74440 557.50693
|
|
2295.0000 -91.89367 -89.05669 2.83698 2.06390 -88.77195 605.74947
|
|
2300.0000 -93.03962 -89.89647 3.14315 1.99240 -89.58009 556.72179
|
|
2305.0000 -91.66686 -88.81433 2.85253 2.00100 -89.48289 592.06897
|
|
2310.0000 -92.17024 -89.48288 2.68736 2.02693 -89.18982 592.82140
|
|
2315.0000 -91.67130 -89.24256 2.42875 2.00049 -89.48872 537.38379
|
|
2320.0000 -91.79757 -88.03174 3.76583 2.02686 -89.19060 566.80706
|
|
2325.0000 -92.33123 -88.95811 3.37312 2.07093 -88.69258 594.83423
|
|
2330.0000 -91.39929 -88.23317 3.16613 2.05466 -88.87642 618.07849
|
|
2335.0000 -90.35206 -87.24894 3.10312 2.14774 -87.82441 702.68356
|
|
2340.0000 -92.28249 -88.07950 4.20299 2.18916 -87.35620 708.10342
|
|
2345.0000 -91.46477 -88.37326 3.09151 2.12514 -88.07982 654.65770
|
|
2350.0000 -91.61325 -88.47050 3.14275 2.08088 -88.58001 643.53369
|
|
2355.0000 -90.91100 -87.46164 3.44936 2.12317 -88.10208 667.78535
|
|
2360.0000 -92.05212 -88.90740 3.14472 2.08948 -88.48281 605.06653
|
|
2365.0000 -91.78253 -88.58090 3.20163 2.06084 -88.80656 626.97390
|
|
2370.0000 -91.76589 -88.15643 3.60946 2.10024 -88.36126 671.64417
|
|
2375.0000 -91.53115 -88.61412 2.91703 2.07944 -88.59638 613.63860
|
|
2380.0000 -91.57068 -88.36117 3.20951 2.07647 -88.62995 602.63910
|
|
2385.0000 -92.18242 -89.99038 2.19205 2.00651 -89.42062 573.60150
|
|
2390.0000 -91.92329 -89.65626 2.26703 1.97380 -89.79038 540.09763
|
|
2395.0000 -91.63131 -88.72417 2.90714 2.00159 -89.47631 556.77942
|
|
2400.0000 -92.17224 -89.47804 2.69420 2.02433 -89.21929 589.24675
|
|
2405.0000 -91.83034 -89.03045 2.79989 2.01015 -89.37951 567.33289
|
|
2410.0000 -91.86699 -88.80957 3.05743 2.05600 -88.86128 595.49513
|
|
2415.0000 -93.18953 -89.99487 3.19467 2.01886 -89.28111 582.68657
|
|
2420.0000 -92.83279 -90.02503 2.80776 1.95270 -90.02883 526.19285
|
|
2425.0000 -92.50067 -89.72112 2.77955 1.96675 -89.87003 563.53567
|
|
2430.0000 -92.33756 -89.84198 2.49558 1.96751 -89.86143 551.01117
|
|
2435.0000 -92.71497 -89.78583 2.92914 1.97100 -89.82206 517.51029
|
|
2440.0000 -92.20748 -89.21237 2.99512 2.02041 -89.26357 570.13659
|
|
2445.0000 -91.29218 -88.91032 2.38186 2.02501 -89.21161 582.17238
|
|
2450.0000 -92.02936 -88.90156 3.12780 2.06148 -88.79934 602.46986
|
|
2455.0000 -91.58512 -88.84178 2.74335 2.04231 -89.01601 589.61525
|
|
2460.0000 -92.01524 -88.76465 3.25060 2.08501 -88.53341 641.98223
|
|
2465.0000 -92.94438 -90.25418 2.69020 1.98216 -89.69591 551.46022
|
|
2470.0000 -91.66675 -89.85915 1.80759 1.97394 -89.78882 552.99800
|
|
2475.0000 -92.28687 -90.24075 2.04612 1.94223 -90.14726 518.78170
|
|
2480.0000 -92.64216 -89.69938 2.94278 1.98257 -89.69124 547.84627
|
|
2485.0000 -91.83314 -89.05757 2.77557 1.99763 -89.52100 581.22742
|
|
2490.0000 -92.28763 -89.91350 2.37412 1.93786 -90.19657 509.72059
|
|
2495.0000 -92.21824 -89.24312 2.97512 2.02149 -89.25137 586.37558
|
|
2500.0000 -92.64987 -89.88762 2.76225 2.03389 -89.11120 592.23637
|
|
MELTING PROCESS: loop number 11 T-loop= 600.00000000000000
|
|
main_MD> interactions number 11 at Temperature= 600.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.99141 -2.21790 0.64010
|
|
force_rgl> df(natom) 2.06306 0.29637 -1.53020
|
|
2505.0000 -92.79415 -90.87381 1.92034 1.94725 -90.09046 501.94481
|
|
2510.0000 -92.14612 -89.01462 3.13150 1.96060 -89.93955 506.17509
|
|
2515.0000 -92.06204 -87.98237 4.07967 2.09536 -88.41638 638.43835
|
|
2520.0000 -91.76424 -88.90959 2.85465 2.08978 -88.47953 657.05191
|
|
2525.0000 -91.85033 -88.11876 3.73157 2.06254 -88.78735 625.65428
|
|
2530.0000 -91.89623 -88.67276 3.22347 2.12205 -88.11472 659.44711
|
|
2535.0000 -92.00031 -88.56063 3.43968 2.05271 -88.89850 580.23310
|
|
2540.0000 -91.60351 -87.94261 3.66091 2.08378 -88.54731 640.61097
|
|
2545.0000 -91.35667 -87.35332 4.00335 2.15436 -87.74955 690.25070
|
|
2550.0000 -92.07313 -89.01420 3.05893 2.11647 -88.17783 658.62540
|
|
2555.0000 -92.37007 -89.32763 3.04244 2.02963 -89.15938 591.41684
|
|
2560.0000 -91.89667 -89.57366 2.32301 2.00320 -89.45812 547.41240
|
|
2565.0000 -92.42568 -89.20470 3.22098 2.00394 -89.44974 562.47105
|
|
2570.0000 -92.10801 -89.12378 2.98423 2.00794 -89.40445 565.90471
|
|
2575.0000 -92.33427 -89.47438 2.85988 2.00984 -89.38297 608.35906
|
|
2580.0000 -93.26284 -90.64741 2.61543 1.93659 -90.21097 531.58321
|
|
2585.0000 -92.73980 -90.00036 2.73944 1.91946 -90.40456 514.81313
|
|
2590.0000 -92.66230 -89.77703 2.88527 1.95245 -90.03166 561.91238
|
|
2595.0000 -91.78191 -88.59462 3.18729 2.03666 -89.07989 591.46723
|
|
2600.0000 -91.77910 -88.95042 2.82868 2.06757 -88.73052 605.26930
|
|
2605.0000 -92.76879 -89.81622 2.95257 2.01605 -89.31278 565.64128
|
|
2610.0000 -91.78874 -89.01875 2.76998 2.00590 -89.42758 559.71146
|
|
2615.0000 -92.85627 -90.27643 2.57984 1.97874 -89.73458 517.10932
|
|
2620.0000 -91.71522 -89.66704 2.04818 1.96082 -89.93710 512.49060
|
|
2625.0000 -92.16791 -89.01904 3.14886 1.98962 -89.61160 536.56333
|
|
2630.0000 -90.94386 -88.12281 2.82105 2.14170 -87.89261 658.29217
|
|
2635.0000 -91.81564 -89.02887 2.78677 2.03317 -89.11936 574.55580
|
|
2640.0000 -92.62063 -90.16013 2.46050 1.98571 -89.65581 523.28840
|
|
2645.0000 -92.69125 -89.87505 2.81620 1.95386 -90.01580 504.28782
|
|
2650.0000 -91.80899 -88.24588 3.56311 2.08200 -88.56745 627.88849
|
|
2655.0000 -92.02415 -89.56551 2.45864 2.08930 -88.48489 633.26107
|
|
2660.0000 -92.21966 -88.63917 3.58049 2.03427 -89.10687 598.00623
|
|
2665.0000 -92.35147 -89.64030 2.71117 2.05665 -88.85396 605.14158
|
|
2670.0000 -92.37519 -89.89946 2.47574 1.98512 -89.66240 540.25763
|
|
2675.0000 -91.97358 -89.29943 2.67415 2.01289 -89.34856 573.62829
|
|
2680.0000 -92.73740 -89.94637 2.79103 1.98151 -89.70322 547.72072
|
|
2685.0000 -91.85482 -89.63400 2.22082 1.99309 -89.57238 536.34023
|
|
2690.0000 -91.79992 -88.65685 3.14307 2.06506 -88.75888 631.89941
|
|
2695.0000 -91.74483 -87.41428 4.33055 2.12407 -88.09193 690.34816
|
|
2700.0000 -92.19702 -89.09589 3.10113 2.08003 -88.58969 636.17205
|
|
2705.0000 -91.91985 -89.70606 2.21379 2.03127 -89.14079 592.10752
|
|
2710.0000 -92.16565 -89.41779 2.74785 2.02369 -89.22650 601.75752
|
|
2715.0000 -91.31850 -88.04383 3.27467 2.05888 -88.82875 629.88834
|
|
2720.0000 -91.24808 -88.44429 2.80379 2.09406 -88.43114 637.53912
|
|
2725.0000 -90.20289 -87.77579 2.42710 2.05967 -88.81983 605.84459
|
|
2730.0000 -90.80763 -87.97286 2.83477 2.15249 -87.77062 657.11545
|
|
2735.0000 -92.68391 -89.19538 3.48853 2.08228 -88.56421 645.77307
|
|
2740.0000 -92.47296 -89.67072 2.80225 1.97028 -89.83017 540.08323
|
|
2745.0000 -92.39872 -89.22312 3.17560 2.00325 -89.45751 576.35033
|
|
2750.0000 -91.25850 -88.30990 2.94860 2.05995 -88.81660 596.29110
|
|
MELTING PROCESS: loop number 12 T-loop= 625.00000000000000
|
|
main_MD> interactions number 12 at Temperature= 625.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.73243 0.64872 1.90359
|
|
force_rgl> df(natom) -0.04813 1.32382 -1.09963
|
|
2755.0000 -91.21814 -88.18911 3.02903 2.11832 -88.15692 638.34099
|
|
2760.0000 -91.53415 -88.74452 2.78964 2.11690 -88.17298 650.04809
|
|
2765.0000 -91.39433 -88.46216 2.93217 2.08264 -88.56018 663.52644
|
|
2770.0000 -92.75832 -89.36565 3.39266 2.02648 -89.19493 613.48733
|
|
2775.0000 -93.17907 -90.01297 3.16610 1.99892 -89.50643 609.65465
|
|
2780.0000 -93.15833 -90.21949 2.93884 1.92718 -90.31736 539.26768
|
|
2785.0000 -92.40432 -89.30071 3.10361 2.01088 -89.37129 575.70727
|
|
2790.0000 -91.99091 -89.19967 2.79125 2.02010 -89.26705 554.53129
|
|
2795.0000 -91.80972 -88.89712 2.91261 2.01744 -89.29713 569.15632
|
|
2800.0000 -91.60540 -88.72094 2.88446 2.02504 -89.21117 582.94535
|
|
2805.0000 -91.26828 -88.38104 2.88724 2.08969 -88.48044 631.61841
|
|
2810.0000 -91.93401 -89.29403 2.63998 2.00935 -89.38853 570.87468
|
|
2815.0000 -91.35510 -89.14135 2.21375 2.02243 -89.24077 587.22130
|
|
2820.0000 -92.11795 -89.98356 2.13439 2.02056 -89.26186 571.98159
|
|
2825.0000 -91.33584 -88.36221 2.97363 2.02473 -89.21471 585.77372
|
|
2830.0000 -92.64845 -89.39576 3.25269 2.03751 -89.07024 610.37738
|
|
2835.0000 -92.59202 -89.76394 2.82808 2.02452 -89.21705 597.76714
|
|
2840.0000 -92.52118 -89.21297 3.30821 2.02610 -89.19927 598.35354
|
|
2845.0000 -91.51075 -88.30017 3.21057 2.04909 -88.93935 611.24367
|
|
2850.0000 -92.59370 -88.89660 3.69710 2.07625 -88.63237 654.20170
|
|
2855.0000 -92.14561 -89.65258 2.49303 2.02955 -89.16019 616.10806
|
|
2860.0000 -92.35197 -89.33582 3.01615 1.99589 -89.54067 565.78315
|
|
2865.0000 -92.29761 -89.61751 2.68010 2.00012 -89.49284 575.02899
|
|
2870.0000 -91.83477 -89.25889 2.57588 1.99712 -89.52682 545.48125
|
|
2875.0000 -91.99017 -89.16068 2.82949 2.04010 -89.04095 611.45891
|
|
2880.0000 -92.60413 -89.51350 3.09062 2.04354 -89.00211 602.78678
|
|
2885.0000 -91.27148 -88.14940 3.12208 2.04260 -89.01270 573.83838
|
|
2890.0000 -91.95722 -89.52273 2.43449 2.05369 -88.88734 594.19419
|
|
2895.0000 -91.80288 -88.67066 3.13221 2.02265 -89.23824 568.45272
|
|
2900.0000 -91.90286 -89.07445 2.82841 2.02917 -89.16457 586.79637
|
|
2905.0000 -92.57055 -89.93157 2.63898 1.97699 -89.75430 563.51817
|
|
2910.0000 -92.66799 -90.23432 2.43367 1.94472 -90.11908 507.57242
|
|
2915.0000 -92.07349 -89.63433 2.43915 1.94889 -90.07189 528.00305
|
|
2920.0000 -92.10670 -89.19389 2.91281 2.02124 -89.25419 592.52595
|
|
2925.0000 -91.75004 -88.89386 2.85617 2.02897 -89.16677 562.11362
|
|
2930.0000 -90.96399 -88.21026 2.75373 2.04460 -88.99009 594.71590
|
|
2935.0000 -90.52288 -87.56020 2.96267 2.13784 -87.93625 676.68294
|
|
2940.0000 -91.29009 -88.44738 2.84272 2.14799 -87.82148 680.19265
|
|
2945.0000 -92.39850 -89.49829 2.90021 2.05042 -88.92433 625.63223
|
|
2950.0000 -92.59251 -90.33303 2.25948 1.97379 -89.79053 565.57407
|
|
2955.0000 -91.84189 -88.56628 3.27561 1.96089 -89.93634 510.99853
|
|
2960.0000 -91.56511 -88.41930 3.14581 2.05621 -88.85886 624.93103
|
|
2965.0000 -91.14922 -88.55544 2.59378 2.11163 -88.23249 663.13006
|
|
2970.0000 -91.42452 -88.84382 2.58070 2.08921 -88.48587 646.79645
|
|
2975.0000 -91.49420 -88.71002 2.78418 2.04992 -88.92996 604.72520
|
|
2980.0000 -92.03812 -88.34073 3.69739 2.08686 -88.51244 655.81932
|
|
2985.0000 -90.94657 -88.04854 2.89804 2.09017 -88.47504 643.20358
|
|
2990.0000 -91.59335 -88.35334 3.24001 2.11345 -88.21191 657.77075
|
|
2995.0000 -91.86397 -89.20325 2.66071 2.02870 -89.16986 602.08569
|
|
3000.0000 -91.80588 -88.49816 3.30772 2.05475 -88.87543 610.23650
|
|
MELTING PROCESS: loop number 13 T-loop= 650.00000000000000
|
|
main_MD> interactions number 13 at Temperature= 650.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.92813 -2.12305 0.27282
|
|
force_rgl> df(natom) 3.91865 -5.40822 -2.26672
|
|
3005.0000 -91.89733 -88.84272 3.05461 2.07278 -88.67165 604.02947
|
|
3010.0000 -92.17206 -89.22200 2.95006 2.02338 -89.23002 600.92508
|
|
3015.0000 -92.24493 -89.08630 3.15863 2.05422 -88.88143 624.82084
|
|
3020.0000 -91.64791 -88.74080 2.90711 2.03712 -89.07471 594.28025
|
|
3025.0000 -91.88623 -88.73498 3.15125 2.07382 -88.65983 640.23643
|
|
3030.0000 -91.53048 -88.16901 3.36146 2.10690 -88.28593 662.97031
|
|
3035.0000 -91.31714 -87.19145 4.12569 2.16570 -87.62134 693.42786
|
|
3040.0000 -92.12812 -89.05031 3.07781 2.08997 -88.47727 669.20770
|
|
3045.0000 -91.88301 -89.42226 2.46075 2.03871 -89.05675 616.88543
|
|
3050.0000 -91.39761 -88.16611 3.23150 2.08395 -88.54535 641.63291
|
|
3055.0000 -92.10519 -88.75330 3.35189 2.09224 -88.45170 654.58374
|
|
3060.0000 -90.95304 -87.89233 3.06071 2.09329 -88.43984 615.14744
|
|
3065.0000 -91.32903 -87.99234 3.33669 2.17855 -87.47609 733.94473
|
|
3070.0000 -91.42917 -88.45751 2.97166 2.09878 -88.37777 654.80317
|
|
3075.0000 -91.81041 -88.17791 3.63250 2.13173 -88.00528 691.35505
|
|
3080.0000 -90.80130 -87.21868 3.58262 2.16605 -87.61739 699.41395
|
|
3085.0000 -91.52260 -87.91579 3.60681 2.14338 -87.87367 681.77036
|
|
3090.0000 -91.31408 -87.48253 3.83155 2.15908 -87.69617 666.97644
|
|
3095.0000 -90.92205 -87.37368 3.54837 2.19153 -87.32941 717.90265
|
|
3100.0000 -91.03056 -87.90749 3.12307 2.13517 -87.96640 699.96111
|
|
3105.0000 -91.62156 -88.44157 3.18000 2.16130 -87.67109 739.26049
|
|
3110.0000 -91.11790 -87.77463 3.34327 2.11594 -88.18376 664.96545
|
|
3115.0000 -92.55312 -89.10143 3.45169 2.10167 -88.34504 685.04403
|
|
3120.0000 -91.75374 -88.91227 2.84147 2.06856 -88.71930 636.10864
|
|
3125.0000 -91.76785 -88.55232 3.21552 2.09962 -88.36830 656.93419
|
|
3130.0000 -90.75380 -87.57410 3.17971 2.14553 -87.84935 666.92533
|
|
3135.0000 -91.59383 -88.49587 3.09796 2.10962 -88.25520 638.11909
|
|
3140.0000 -90.55045 -87.52486 3.02559 2.15717 -87.71777 685.24231
|
|
3145.0000 -91.87032 -88.41401 3.45632 2.13477 -87.97096 672.92161
|
|
3150.0000 -91.38577 -88.25100 3.13477 2.12692 -88.05973 662.85627
|
|
3155.0000 -91.83088 -88.44174 3.38914 2.08704 -88.51042 602.37103
|
|
3160.0000 -90.73238 -87.75413 2.97825 2.14545 -87.85020 653.28351
|
|
3165.0000 -91.28021 -87.84207 3.43814 2.10754 -88.27870 664.01761
|
|
3170.0000 -91.38508 -88.63633 2.74875 2.10199 -88.34146 644.20557
|
|
3175.0000 -91.31951 -88.51385 2.80566 2.06708 -88.73604 611.87331
|
|
3180.0000 -91.05828 -88.05986 2.99842 2.10358 -88.32353 610.39509
|
|
3185.0000 -90.34864 -87.80701 2.54163 2.15743 -87.71480 685.45152
|
|
3190.0000 -91.64770 -88.19516 3.45254 2.09413 -88.43030 656.57117
|
|
3195.0000 -91.71637 -88.14779 3.56858 2.11082 -88.24165 681.52322
|
|
3200.0000 -91.09314 -89.09705 1.99609 2.10224 -88.33862 649.64496
|
|
3205.0000 -91.90336 -88.29359 3.60977 2.06297 -88.78247 607.65386
|
|
3210.0000 -91.71546 -88.86785 2.84761 2.11692 -88.17276 660.20008
|
|
3215.0000 -92.33722 -89.12064 3.21658 2.07443 -88.65300 620.47934
|
|
3220.0000 -91.01209 -88.12711 2.88499 2.05764 -88.84275 598.66911
|
|
3225.0000 -89.57255 -87.03818 2.53436 2.14192 -87.89009 694.95266
|
|
3230.0000 -90.43815 -86.97893 3.45922 2.22373 -86.96540 756.90822
|
|
3235.0000 -90.93298 -87.15744 3.77554 2.18891 -87.35904 738.93752
|
|
3240.0000 -91.21074 -87.48580 3.72493 2.23504 -86.83765 754.04997
|
|
3245.0000 -90.94727 -88.16324 2.78403 2.13593 -87.95786 673.65089
|
|
3250.0000 -91.01813 -87.46565 3.55248 2.14705 -87.83211 679.86942
|
|
MELTING PROCESS: loop number 14 T-loop= 675.00000000000000
|
|
main_MD> interactions number 14 at Temperature= 675.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.15132 -0.05950 1.74010
|
|
force_rgl> df(natom) 3.34343 1.68406 -1.46361
|
|
3255.0000 -90.92877 -87.73386 3.19491 2.17241 -87.54550 685.27558
|
|
3260.0000 -91.25209 -87.96020 3.29189 2.17067 -87.56523 710.09680
|
|
3265.0000 -91.40888 -88.27136 3.13752 2.08613 -88.52078 632.21324
|
|
3270.0000 -92.00062 -88.57142 3.42921 2.12974 -88.02777 691.54696
|
|
3275.0000 -92.68156 -88.41330 4.26826 2.11499 -88.19451 659.42981
|
|
3280.0000 -92.60220 -89.05860 3.54360 2.07847 -88.60729 649.30576
|
|
3285.0000 -91.10056 -88.87450 2.22606 2.05452 -88.87803 612.42260
|
|
3290.0000 -91.32870 -87.92568 3.40301 2.09809 -88.38557 621.92584
|
|
3295.0000 -92.33547 -88.88899 3.44649 2.11071 -88.24285 675.27043
|
|
3300.0000 -92.21800 -88.71730 3.50069 2.05674 -88.85295 597.19039
|
|
3305.0000 -91.73329 -88.73503 2.99826 2.03550 -89.09302 621.31338
|
|
3310.0000 -91.02086 -87.44742 3.57343 2.11589 -88.18438 710.04976
|
|
3315.0000 -90.50403 -87.23164 3.27239 2.16874 -87.58700 723.97120
|
|
3320.0000 -91.51158 -87.94092 3.57066 2.17275 -87.54171 701.97083
|
|
3325.0000 -90.45613 -87.17360 3.28253 2.20785 -87.14490 731.61995
|
|
3330.0000 -91.13127 -87.92440 3.20687 2.14469 -87.85886 694.59787
|
|
3335.0000 -90.94274 -88.27918 2.66357 2.10095 -88.35323 610.13601
|
|
3340.0000 -90.42730 -87.65063 2.77667 2.14663 -87.83691 681.10771
|
|
3345.0000 -90.53756 -87.22844 3.30911 2.18937 -87.35384 692.50578
|
|
3350.0000 -90.16730 -86.66610 3.50120 2.25077 -86.65986 734.51810
|
|
3355.0000 -91.16458 -87.81504 3.34954 2.20775 -87.14604 738.58089
|
|
3360.0000 -91.24532 -87.86617 3.37915 2.15870 -87.70045 720.80919
|
|
3365.0000 -90.50681 -87.43179 3.07502 2.16083 -87.67643 703.41537
|
|
3370.0000 -90.30856 -87.14854 3.16002 2.18737 -87.37640 702.93770
|
|
3375.0000 -91.18607 -87.22464 3.96144 2.20893 -87.13273 712.76426
|
|
3380.0000 -91.84036 -88.41027 3.43009 2.13881 -87.92529 692.57572
|
|
3385.0000 -91.55812 -87.87663 3.68150 2.11554 -88.18831 669.79350
|
|
3390.0000 -91.16386 -88.03225 3.13161 2.13854 -87.92834 677.03337
|
|
3395.0000 -90.46508 -87.45312 3.01196 2.15806 -87.70767 677.10179
|
|
3400.0000 -90.85552 -87.57687 3.27865 2.18735 -87.37670 693.22797
|
|
3405.0000 -90.74944 -87.15596 3.59348 2.18768 -87.37286 706.98048
|
|
3410.0000 -91.35392 -88.11479 3.23913 2.16267 -87.65565 695.97855
|
|
3415.0000 -91.21249 -87.95699 3.25550 2.11037 -88.24670 648.27847
|
|
3420.0000 -90.56993 -87.64542 2.92451 2.12784 -88.04926 658.88762
|
|
3425.0000 -91.01502 -87.28467 3.73034 2.17237 -87.54592 726.36904
|
|
3430.0000 -91.33576 -88.03339 3.30236 2.16377 -87.64315 690.66656
|
|
3435.0000 -90.95388 -87.27792 3.67597 2.14596 -87.84449 686.09794
|
|
3440.0000 -91.91955 -88.62184 3.29772 2.14604 -87.84353 680.29724
|
|
3445.0000 -91.15300 -87.47947 3.67353 2.11400 -88.20570 663.46207
|
|
3450.0000 -90.68208 -87.04663 3.63545 2.19206 -87.32341 715.75326
|
|
3455.0000 -92.75785 -89.36609 3.39176 2.07484 -88.64828 637.78832
|
|
3460.0000 -91.18884 -88.42512 2.76372 2.05784 -88.84050 649.21385
|
|
3465.0000 -91.39556 -87.85105 3.54450 2.14201 -87.88913 703.80441
|
|
3470.0000 -92.36284 -87.56881 4.79403 2.14859 -87.81469 705.07147
|
|
3475.0000 -91.47918 -87.79230 3.68689 2.15912 -87.69578 719.63186
|
|
3480.0000 -91.59807 -87.80319 3.79487 2.15689 -87.72094 683.48210
|
|
3485.0000 -90.81984 -87.67091 3.14893 2.16210 -87.66205 670.12786
|
|
3490.0000 -91.84015 -87.86370 3.97645 2.17662 -87.49789 656.10931
|
|
3495.0000 -90.53811 -87.14550 3.39261 2.15207 -87.77540 682.93986
|
|
3500.0000 -91.83122 -88.45318 3.37804 2.14898 -87.81032 681.01656
|
|
MELTING PROCESS: loop number 15 T-loop= 700.00000000000000
|
|
main_MD> interactions number 15 at Temperature= 700.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.33038 2.33628 1.73501
|
|
force_rgl> df(natom) 0.76214 0.11837 -0.69225
|
|
3505.0000 -90.86107 -87.74408 3.11700 2.18013 -87.45823 702.53937
|
|
3510.0000 -91.10238 -87.94710 3.15528 2.17082 -87.56345 709.74807
|
|
3515.0000 -90.48967 -87.64475 2.84492 2.14385 -87.86832 702.24136
|
|
3520.0000 -91.78171 -88.41821 3.36350 2.12420 -88.09040 661.89167
|
|
3525.0000 -91.51540 -88.14021 3.37519 2.12319 -88.10179 673.19811
|
|
3530.0000 -91.20790 -87.66691 3.54099 2.17521 -87.51391 714.90477
|
|
3535.0000 -90.99938 -87.58419 3.41519 2.15284 -87.76669 695.91996
|
|
3540.0000 -90.45583 -86.93191 3.52392 2.19272 -87.31591 744.71778
|
|
3545.0000 -91.86424 -88.31431 3.54992 2.15649 -87.72550 716.45720
|
|
3550.0000 -90.38639 -87.05819 3.32820 2.21492 -87.06501 792.91534
|
|
3555.0000 -90.87568 -87.30462 3.57106 2.26737 -86.47217 753.58724
|
|
3560.0000 -91.05206 -87.23168 3.82038 2.20460 -87.18169 751.26064
|
|
3565.0000 -91.32571 -87.78640 3.53931 2.14955 -87.80390 716.87183
|
|
3570.0000 -91.65372 -87.98069 3.67304 2.15116 -87.78567 705.61408
|
|
3575.0000 -91.16793 -87.91234 3.25559 2.13961 -87.91624 676.26111
|
|
3580.0000 -92.09745 -88.80858 3.28887 2.07758 -88.61731 664.61290
|
|
3585.0000 -91.50396 -88.49470 3.00926 2.05986 -88.81767 626.88734
|
|
3590.0000 -91.28389 -86.94713 4.33676 2.11273 -88.22010 661.92896
|
|
3595.0000 -91.15120 -88.15647 2.99473 2.19670 -87.27091 714.01932
|
|
3600.0000 -90.68342 -86.52648 4.15695 2.16033 -87.68210 709.79888
|
|
3605.0000 -90.59924 -87.31381 3.28543 2.25152 -86.65135 808.63723
|
|
3610.0000 -91.94721 -87.83210 4.11511 2.21608 -87.05187 762.32759
|
|
3615.0000 -90.64455 -87.16182 3.48273 2.20082 -87.22436 733.95962
|
|
3620.0000 -90.53321 -87.33844 3.19477 2.20537 -87.17292 725.68412
|
|
3625.0000 -90.94056 -87.53615 3.40441 2.19349 -87.30719 702.47772
|
|
3630.0000 -90.52822 -86.62186 3.90637 2.17204 -87.54975 717.99003
|
|
3635.0000 -90.63126 -87.06623 3.56503 2.23700 -86.81548 763.26496
|
|
3640.0000 -92.21026 -87.52442 4.68584 2.20534 -87.17335 740.42043
|
|
3645.0000 -90.83048 -87.54366 3.28683 2.17084 -87.56325 701.22643
|
|
3650.0000 -91.82917 -88.72950 3.09967 2.08896 -88.48877 660.07015
|
|
3655.0000 -92.42131 -88.54414 3.87717 2.07429 -88.65451 636.37236
|
|
3660.0000 -91.00901 -87.90443 3.10458 2.10729 -88.28157 670.34097
|
|
3665.0000 -91.96794 -88.75248 3.21546 2.11869 -88.15272 681.03577
|
|
3670.0000 -92.05413 -88.65633 3.39780 2.10669 -88.28831 678.97001
|
|
3675.0000 -91.27031 -89.00465 2.26566 2.08814 -88.49802 667.83462
|
|
3680.0000 -92.16266 -89.10218 3.06047 2.04180 -89.02180 603.02471
|
|
3685.0000 -91.51244 -88.98073 2.53172 2.05467 -88.87627 639.62928
|
|
3690.0000 -92.20765 -88.71051 3.49714 2.05616 -88.85942 612.57979
|
|
3695.0000 -91.47409 -88.79903 2.67506 2.08559 -88.52688 636.96797
|
|
3700.0000 -92.51312 -89.18293 3.33019 2.03124 -89.14115 605.20205
|
|
3705.0000 -91.72842 -88.74740 2.98102 2.04958 -88.93390 631.40929
|
|
3710.0000 -91.16735 -88.80291 2.36445 2.09146 -88.46054 604.79248
|
|
3715.0000 -92.06919 -89.04108 3.02810 2.10654 -88.29008 651.24405
|
|
3720.0000 -91.06993 -87.98397 3.08596 2.06682 -88.73902 618.28383
|
|
3725.0000 -91.12566 -87.89459 3.23106 2.13005 -88.02425 677.04653
|
|
3730.0000 -90.94429 -87.28180 3.66249 2.14125 -87.89766 694.18903
|
|
3735.0000 -91.58353 -88.50300 3.08053 2.13885 -87.92483 690.56715
|
|
3740.0000 -92.45942 -89.14515 3.31427 2.04703 -88.96263 596.55679
|
|
3745.0000 -91.01390 -88.00387 3.01003 2.10412 -88.31736 644.21955
|
|
3750.0000 -90.61463 -86.77731 3.83732 2.21627 -87.04975 743.19055
|
|
MELTING PROCESS: loop number 16 T-loop= 725.00000000000000
|
|
main_MD> interactions number 16 at Temperature= 725.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.59734 1.14696 -1.17355
|
|
force_rgl> df(natom) 1.64678 -1.89793 -1.56529
|
|
3755.0000 -90.05996 -86.91832 3.14164 2.22469 -86.95465 721.11645
|
|
3760.0000 -90.32588 -87.00384 3.32203 2.23808 -86.80323 712.78764
|
|
3765.0000 -91.06240 -87.43046 3.63194 2.22435 -86.95847 726.78781
|
|
3770.0000 -90.78798 -87.91503 2.87295 2.19044 -87.34172 672.37707
|
|
3775.0000 -90.14922 -86.91357 3.23565 2.18602 -87.39165 758.70303
|
|
3780.0000 -91.38564 -87.82965 3.55599 2.22360 -86.96693 779.37828
|
|
3785.0000 -90.57241 -87.56711 3.00530 2.17841 -87.47767 680.15193
|
|
3790.0000 -91.30211 -87.58972 3.71238 2.15918 -87.69511 690.64499
|
|
3795.0000 -91.49315 -88.27311 3.22004 2.15476 -87.74497 717.06344
|
|
3800.0000 -90.68641 -87.38669 3.29972 2.12873 -88.03925 667.04133
|
|
3805.0000 -90.28927 -86.79856 3.49071 2.23031 -86.89110 758.30405
|
|
3810.0000 -91.32408 -86.97891 4.34517 2.19527 -87.28708 723.78262
|
|
3815.0000 -90.65553 -86.69212 3.96341 2.27645 -86.36956 809.83211
|
|
3820.0000 -91.36666 -87.39796 3.96870 2.20733 -87.15084 784.12330
|
|
3825.0000 -91.84095 -88.25142 3.58953 2.15093 -87.78826 683.68695
|
|
3830.0000 -91.63922 -88.14832 3.49090 2.10900 -88.26218 675.17173
|
|
3835.0000 -89.94315 -87.30200 2.64114 2.12733 -88.05500 662.69885
|
|
3840.0000 -91.28549 -87.92053 3.36496 2.19409 -87.30047 709.56028
|
|
3845.0000 -91.22893 -87.65745 3.57148 2.17268 -87.54244 733.62542
|
|
3850.0000 -91.39814 -87.93967 3.45847 2.14076 -87.90324 698.90448
|
|
3855.0000 -90.85044 -88.05030 2.80013 2.15305 -87.76436 664.17708
|
|
3860.0000 -90.48760 -87.26342 3.22418 2.17244 -87.54515 706.98884
|
|
3865.0000 -91.09047 -87.75652 3.33396 2.13493 -87.96920 675.81898
|
|
3870.0000 -92.15655 -88.03900 4.11756 2.14892 -87.81106 691.75629
|
|
3875.0000 -91.67952 -88.25765 3.42186 2.16635 -87.61404 720.92294
|
|
3880.0000 -90.78247 -87.85028 2.93219 2.13660 -87.95024 674.05366
|
|
3885.0000 -90.79209 -87.15488 3.63721 2.17777 -87.48495 701.91967
|
|
3890.0000 -89.69342 -85.85886 3.83455 2.20798 -87.14349 722.91696
|
|
3895.0000 -90.96248 -86.33251 4.62997 2.32561 -85.81395 827.06275
|
|
3900.0000 -90.23839 -86.68680 3.55159 2.26609 -86.48662 806.37065
|
|
3905.0000 -90.30222 -86.94230 3.35992 2.26373 -86.51330 782.99644
|
|
3910.0000 -91.25007 -87.33722 3.91286 2.20079 -87.22478 713.29441
|
|
3915.0000 -90.00129 -86.78364 3.21765 2.26359 -86.51487 769.01994
|
|
3920.0000 -90.91559 -86.93150 3.98409 2.29459 -86.16452 846.95470
|
|
3925.0000 -90.12010 -86.94871 3.17139 2.20991 -87.12161 744.18263
|
|
3930.0000 -89.58308 -86.13424 3.44884 2.25356 -86.62831 766.63291
|
|
3935.0000 -90.33031 -86.80436 3.52595 2.27286 -86.41010 806.51939
|
|
3940.0000 -90.95210 -87.06158 3.89052 2.23979 -86.78397 755.96043
|
|
3945.0000 -91.56058 -88.59513 2.96546 2.14285 -87.87964 682.29979
|
|
3950.0000 -90.44039 -87.38757 3.05282 2.16795 -87.59587 692.77855
|
|
3955.0000 -91.24310 -87.70415 3.53895 2.19416 -87.29964 725.26691
|
|
3960.0000 -91.14755 -87.82496 3.32259 2.16866 -87.58786 732.16806
|
|
3965.0000 -90.80066 -86.78302 4.01765 2.23572 -86.82994 768.14922
|
|
3970.0000 -90.63746 -86.78150 3.85596 2.20583 -87.16773 764.84374
|
|
3975.0000 -90.40280 -86.46032 3.94248 2.24601 -86.71359 788.18426
|
|
3980.0000 -90.81493 -87.46182 3.35311 2.24262 -86.75195 813.78803
|
|
3985.0000 -90.53550 -87.33819 3.19731 2.18541 -87.39853 707.88881
|
|
3990.0000 -91.70425 -88.48708 3.21717 2.21254 -87.09188 743.21574
|
|
3995.0000 -89.64563 -86.73883 2.90679 2.15562 -87.73524 682.96104
|
|
4000.0000 -91.65871 -88.14957 3.50914 2.13587 -87.95857 669.83511
|
|
MELTING PROCESS: loop number 17 T-loop= 750.00000000000000
|
|
main_MD> interactions number 17 at Temperature= 750.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.35944 -0.24093 -1.15100
|
|
force_rgl> df(natom) 2.72671 -3.95645 1.58845
|
|
4005.0000 -91.55175 -88.21136 3.34038 2.12235 -88.11128 688.18827
|
|
4010.0000 -90.50897 -86.93691 3.57206 2.20809 -87.14228 694.69028
|
|
4015.0000 -90.67001 -86.13700 4.53301 2.27552 -86.38009 781.48091
|
|
4020.0000 -90.67572 -86.01604 4.65968 2.30888 -86.00295 809.18000
|
|
4025.0000 -89.40096 -85.86275 3.53821 2.31138 -85.97476 796.95509
|
|
4030.0000 -89.75914 -85.83055 3.92859 2.35883 -85.43840 844.17734
|
|
4035.0000 -90.75472 -86.81328 3.94144 2.28479 -86.27532 776.17926
|
|
4040.0000 -91.08783 -87.65468 3.43315 2.19541 -87.28553 728.43538
|
|
4045.0000 -90.47349 -86.81957 3.65392 2.21004 -87.12015 747.98466
|
|
4050.0000 -89.80794 -86.67829 3.12966 2.23596 -86.82725 764.36731
|
|
4055.0000 -89.88802 -85.86428 4.02373 2.29624 -86.14584 782.87516
|
|
4060.0000 -90.96887 -88.02982 2.93905 2.21939 -87.01454 712.30148
|
|
4065.0000 -90.53910 -86.92622 3.61288 2.18434 -87.41064 671.60859
|
|
4070.0000 -90.91916 -88.01564 2.90352 2.13637 -87.95286 646.24608
|
|
4075.0000 -90.42002 -86.53311 3.88691 2.17953 -87.46505 732.72667
|
|
4080.0000 -90.40675 -86.93775 3.46901 2.23864 -86.79689 764.97071
|
|
4085.0000 -90.50991 -86.16071 4.34920 2.25715 -86.58776 765.25269
|
|
4090.0000 -90.37946 -86.38349 3.99597 2.28956 -86.22134 790.78556
|
|
4095.0000 -90.35731 -86.02928 4.32803 2.29743 -86.13247 808.36456
|
|
4100.0000 -90.51129 -86.87323 3.63806 2.31276 -85.95915 824.40551
|
|
4105.0000 -90.21671 -86.92955 3.28716 2.21409 -87.07438 702.70208
|
|
4110.0000 -90.76734 -87.07675 3.69059 2.24745 -86.69738 775.54178
|
|
4115.0000 -90.59374 -86.76928 3.82446 2.21620 -87.05054 720.19334
|
|
4120.0000 -91.67763 -87.88470 3.79293 2.16620 -87.61573 725.40173
|
|
4125.0000 -90.36610 -86.95283 3.41328 2.18687 -87.38211 744.79936
|
|
4130.0000 -91.16612 -86.96311 4.20301 2.19829 -87.25303 728.77780
|
|
4135.0000 -91.54403 -88.47960 3.06443 2.21283 -87.08865 737.48142
|
|
4140.0000 -90.89236 -87.82526 3.06710 2.15115 -87.78580 715.81081
|
|
4145.0000 -90.52025 -87.18606 3.33420 2.21324 -87.08402 739.65155
|
|
4150.0000 -89.61406 -86.04562 3.56843 2.27756 -86.35706 775.73850
|
|
4155.0000 -91.69373 -88.24355 3.45018 2.19471 -87.29341 723.55397
|
|
4160.0000 -91.89183 -88.69624 3.19559 2.11567 -88.18682 667.65737
|
|
4165.0000 -90.68097 -87.51369 3.16728 2.12857 -88.04099 702.81979
|
|
4170.0000 -90.69882 -86.29650 4.40232 2.18732 -87.37696 724.44768
|
|
4175.0000 -90.47572 -86.45022 4.02550 2.27439 -86.39279 804.39935
|
|
4180.0000 -89.92484 -85.54170 4.38313 2.32555 -85.81459 828.91156
|
|
4185.0000 -90.76461 -86.55069 4.21393 2.30797 -86.01324 809.16097
|
|
4190.0000 -90.10555 -87.26420 2.84135 2.27063 -86.43531 786.17278
|
|
4195.0000 -91.41735 -87.74110 3.67625 2.15726 -87.71671 684.16458
|
|
4200.0000 -90.79777 -86.92712 3.87065 2.17397 -87.52787 706.50406
|
|
4205.0000 -91.06411 -87.98574 3.07837 2.19614 -87.27732 756.16423
|
|
4210.0000 -91.75548 -87.75042 4.00506 2.12499 -88.08148 674.38030
|
|
4215.0000 -91.15799 -87.84872 3.30927 2.13156 -88.00724 695.82558
|
|
4220.0000 -89.47525 -86.15753 3.31771 2.21981 -87.00977 727.67172
|
|
4225.0000 -90.35659 -86.31853 4.03807 2.26091 -86.54520 794.83276
|
|
4230.0000 -90.36738 -86.96735 3.40003 2.25988 -86.55688 767.14084
|
|
4235.0000 -91.24138 -87.46804 3.77334 2.20914 -87.13034 756.57340
|
|
4240.0000 -89.47449 -85.92035 3.55414 2.22131 -86.99278 752.50279
|
|
4245.0000 -90.06473 -85.53530 4.52942 2.29112 -86.20378 790.69863
|
|
4250.0000 -88.92874 -85.00559 3.92315 2.39469 -85.03314 895.17345
|
|
MELTING PROCESS: loop number 18 T-loop= 775.00000000000000
|
|
main_MD> interactions number 18 at Temperature= 775.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.49102 3.25306 -2.84434
|
|
force_rgl> df(natom) -1.57848 -1.52949 2.68454
|
|
4255.0000 -90.70986 -86.28879 4.42107 2.29083 -86.20698 794.79424
|
|
4260.0000 -90.41348 -86.68014 3.73334 2.24971 -86.67181 727.06300
|
|
4265.0000 -90.01033 -86.39775 3.61258 2.28917 -86.22577 791.54558
|
|
4270.0000 -90.82238 -87.08885 3.73352 2.22607 -86.93903 739.01112
|
|
4275.0000 -90.14001 -86.74573 3.39428 2.18833 -87.36554 714.02999
|
|
4280.0000 -90.74637 -85.58133 5.16504 2.32655 -85.80329 818.72584
|
|
4285.0000 -88.77868 -85.44901 3.32967 2.35444 -85.48809 846.55072
|
|
4290.0000 -90.59550 -87.26888 3.32662 2.25475 -86.61486 769.56794
|
|
4295.0000 -90.37180 -86.33777 4.03403 2.25633 -86.59693 752.95053
|
|
4300.0000 -90.20216 -85.83403 4.36813 2.26074 -86.54709 824.68722
|
|
4305.0000 -91.27267 -86.17775 5.09491 2.31657 -85.91607 841.29208
|
|
4310.0000 -90.70337 -86.68234 4.02103 2.28293 -86.29632 806.12329
|
|
4315.0000 -90.49917 -86.93700 3.56217 2.26451 -86.50452 809.59510
|
|
4320.0000 -90.87712 -86.76482 4.11229 2.29363 -86.17536 807.46916
|
|
4325.0000 -90.41108 -86.48231 3.92877 2.21941 -87.01430 775.52393
|
|
4330.0000 -90.80818 -86.99413 3.81405 2.21898 -87.01909 748.60390
|
|
4335.0000 -91.23452 -87.55637 3.67814 2.20761 -87.14766 741.71249
|
|
4340.0000 -91.36300 -88.24357 3.11942 2.12509 -88.08036 707.81103
|
|
4345.0000 -91.07988 -86.97045 4.10943 2.19256 -87.31782 731.01459
|
|
4350.0000 -90.25637 -86.25229 4.00408 2.25596 -86.60110 784.89416
|
|
4355.0000 -90.23032 -86.53412 3.69620 2.28011 -86.32816 797.55562
|
|
4360.0000 -89.08173 -85.99416 3.08757 2.27576 -86.37735 803.96707
|
|
4365.0000 -90.76176 -86.66991 4.09186 2.25687 -86.59093 783.34696
|
|
4370.0000 -91.18625 -87.46864 3.71761 2.24057 -86.77516 773.44258
|
|
4375.0000 -90.73739 -86.97641 3.76098 2.21350 -87.08107 758.29917
|
|
4380.0000 -90.24355 -86.06506 4.17848 2.25872 -86.57000 787.04167
|
|
4385.0000 -91.06782 -87.34085 3.72697 2.24270 -86.75109 747.73173
|
|
4390.0000 -90.42822 -85.80857 4.61965 2.26087 -86.54571 725.17296
|
|
4395.0000 -90.10443 -86.40492 3.69951 2.29069 -86.20864 823.27445
|
|
4400.0000 -89.26787 -85.37997 3.88790 2.32763 -85.79104 803.86091
|
|
4405.0000 -90.09740 -85.36417 4.73323 2.35233 -85.51193 843.78304
|
|
4410.0000 -89.96319 -85.73917 4.22403 2.32171 -85.85802 840.86692
|
|
4415.0000 -90.47615 -86.17911 4.29704 2.30497 -86.04722 818.91710
|
|
4420.0000 -89.39798 -85.32818 4.06980 2.32412 -85.83072 820.92328
|
|
4425.0000 -90.51407 -86.10083 4.41324 2.33056 -85.75794 826.88874
|
|
4430.0000 -90.63978 -86.80692 3.83286 2.26693 -86.47715 839.15135
|
|
4435.0000 -89.93723 -86.09138 3.84585 2.22894 -86.90651 748.58110
|
|
4440.0000 -90.94019 -86.50882 4.43137 2.26272 -86.52470 751.20160
|
|
4445.0000 -90.49702 -86.15331 4.34371 2.22364 -86.96647 741.70323
|
|
4450.0000 -89.47403 -85.98254 3.49149 2.26395 -86.51088 774.54232
|
|
4455.0000 -91.39660 -87.51490 3.88169 2.26125 -86.54139 769.02901
|
|
4460.0000 -89.71788 -85.36360 4.35429 2.26422 -86.50779 773.33447
|
|
4465.0000 -90.38433 -86.58243 3.80190 2.31124 -85.97636 813.76831
|
|
4470.0000 -89.69242 -86.10327 3.58914 2.25442 -86.61859 754.25323
|
|
4475.0000 -89.63953 -85.77796 3.86157 2.33398 -85.71927 826.68113
|
|
4480.0000 -90.69876 -87.11259 3.58617 2.22090 -86.99744 755.71866
|
|
4485.0000 -90.77656 -87.09685 3.67971 2.26709 -86.47536 773.79809
|
|
4490.0000 -90.15873 -87.30261 2.85612 2.19412 -87.30010 680.42357
|
|
4495.0000 -89.58264 -86.80951 2.77314 2.20285 -87.20145 757.69857
|
|
4500.0000 -91.10767 -88.61747 2.49020 2.14376 -87.86931 674.76920
|
|
MELTING PROCESS: loop number 19 T-loop= 800.00000000000000
|
|
main_MD> interactions number 19 at Temperature= 800.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.78334 -0.55244 -0.32274
|
|
force_rgl> df(natom) 0.01595 -0.84331 -0.76507
|
|
4505.0000 -90.88208 -87.12461 3.75747 2.14378 -87.86915 675.98960
|
|
4510.0000 -91.44029 -86.81928 4.62101 2.24944 -86.67487 770.65617
|
|
4515.0000 -90.70139 -86.87959 3.82180 2.23241 -86.86737 774.47567
|
|
4520.0000 -91.29033 -87.33376 3.95656 2.21916 -87.01707 796.37198
|
|
4525.0000 -90.94578 -86.88179 4.06399 2.22449 -86.95684 784.86384
|
|
4530.0000 -89.75233 -85.73911 4.01322 2.28755 -86.24406 820.60918
|
|
4535.0000 -90.41352 -85.79091 4.62261 2.34156 -85.63358 844.37826
|
|
4540.0000 -89.37051 -84.82793 4.54258 2.38367 -85.15769 909.23725
|
|
4545.0000 -89.55859 -85.62077 3.93782 2.33384 -85.72089 864.70764
|
|
4550.0000 -90.66975 -86.55929 4.11046 2.26579 -86.49007 763.92716
|
|
4555.0000 -90.29588 -86.17515 4.12074 2.31160 -85.97224 825.64809
|
|
4560.0000 -89.94995 -85.84441 4.10555 2.30156 -86.08569 828.33526
|
|
4565.0000 -90.08164 -86.05756 4.02408 2.35221 -85.51328 848.10187
|
|
4570.0000 -91.45228 -87.72465 3.72763 2.22217 -86.98313 741.43660
|
|
4575.0000 -90.47959 -86.43501 4.04458 2.20258 -87.20456 754.50614
|
|
4580.0000 -90.47715 -86.60279 3.87436 2.22233 -86.98125 764.49444
|
|
4585.0000 -90.61793 -86.11432 4.50361 2.26772 -86.46822 794.01754
|
|
4590.0000 -89.94742 -86.85966 3.08776 2.25611 -86.59944 798.03987
|
|
4595.0000 -90.48840 -87.41972 3.06868 2.21296 -87.08717 759.70173
|
|
4600.0000 -91.02142 -86.67798 4.34344 2.21500 -87.06407 740.29545
|
|
4605.0000 -90.49844 -86.25428 4.24416 2.24762 -86.69540 789.05477
|
|
4610.0000 -89.96492 -85.42042 4.54450 2.26237 -86.52866 772.65349
|
|
4615.0000 -90.36536 -86.24550 4.11985 2.25698 -86.58963 792.38879
|
|
4620.0000 -90.76835 -87.04785 3.72050 2.28210 -86.30569 814.63585
|
|
4625.0000 -88.87397 -85.44742 3.42655 2.32252 -85.84886 813.17022
|
|
4630.0000 -90.14322 -85.59475 4.54847 2.34279 -85.61970 832.23474
|
|
4635.0000 -90.27539 -86.34253 3.93286 2.34931 -85.54602 853.55910
|
|
4640.0000 -89.65568 -84.97271 4.68297 2.32054 -85.87124 807.56322
|
|
4645.0000 -89.98520 -85.06027 4.92493 2.32955 -85.76936 829.35127
|
|
4650.0000 -91.03140 -86.19598 4.83542 2.36422 -85.37746 880.02856
|
|
4655.0000 -90.67810 -86.55101 4.12709 2.29441 -86.16653 818.00616
|
|
4660.0000 -91.27340 -87.84711 3.42630 2.24356 -86.74132 796.62019
|
|
4665.0000 -90.69479 -86.27360 4.42118 2.25530 -86.60864 752.51594
|
|
4670.0000 -89.14576 -85.06210 4.08366 2.34666 -85.57603 849.28560
|
|
4675.0000 -88.95212 -84.01687 4.93525 2.46570 -84.23044 924.68037
|
|
4680.0000 -90.06514 -85.74898 4.31616 2.36029 -85.42196 834.52102
|
|
4685.0000 -90.28572 -87.28441 3.00131 2.25025 -86.66574 747.94773
|
|
4690.0000 -89.86515 -86.01556 3.84959 2.25647 -86.59534 751.79446
|
|
4695.0000 -90.13572 -86.63668 3.49903 2.21637 -87.04861 725.98239
|
|
4700.0000 -90.47860 -86.65465 3.82394 2.26301 -86.52149 754.23558
|
|
4705.0000 -91.32141 -87.88400 3.43741 2.21992 -87.00853 752.67193
|
|
4710.0000 -90.43708 -86.75186 3.68523 2.16092 -87.67542 699.49208
|
|
4715.0000 -89.84699 -85.75596 4.09104 2.22668 -86.93206 771.86140
|
|
4720.0000 -89.33128 -84.98707 4.34421 2.39615 -85.01666 858.95050
|
|
4725.0000 -89.95387 -86.09913 3.85473 2.32344 -85.83840 832.98157
|
|
4730.0000 -90.84153 -86.83664 4.00489 2.27909 -86.33976 793.24014
|
|
4735.0000 -89.70742 -85.76989 3.93753 2.33074 -85.75593 854.79588
|
|
4740.0000 -89.49941 -85.75953 3.73988 2.31845 -85.89483 791.40290
|
|
4745.0000 -89.96814 -86.46721 3.50093 2.28247 -86.30148 769.57257
|
|
4750.0000 -90.92027 -87.38338 3.53689 2.23344 -86.85566 751.71363
|
|
MELTING PROCESS: loop number 20 T-loop= 825.00000000000000
|
|
main_MD> interactions number 20 at Temperature= 825.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.38518 -0.55562 2.24543
|
|
force_rgl> df(natom) -1.49313 0.22302 -1.50214
|
|
4755.0000 -90.55865 -87.02414 3.53451 2.21089 -87.11058 726.98274
|
|
4760.0000 -90.17119 -86.12795 4.04325 2.24854 -86.68501 736.88050
|
|
4765.0000 -89.72889 -85.32735 4.40154 2.35374 -85.49594 848.28378
|
|
4770.0000 -89.17056 -85.59192 3.57864 2.36230 -85.39920 852.69147
|
|
4775.0000 -89.61968 -85.97733 3.64235 2.32871 -85.77884 836.48251
|
|
4780.0000 -90.02275 -85.79038 4.23237 2.29465 -86.16381 791.74961
|
|
4785.0000 -90.10036 -85.97998 4.12038 2.32739 -85.79375 835.21579
|
|
4790.0000 -90.06068 -86.38250 3.67818 2.28729 -86.24700 823.26709
|
|
4795.0000 -90.08024 -86.52030 3.55993 2.27210 -86.41878 769.66924
|
|
4800.0000 -89.94554 -85.54220 4.40334 2.35407 -85.49227 866.86038
|
|
4805.0000 -90.67379 -85.24069 5.43309 2.38028 -85.19595 917.29954
|
|
4810.0000 -88.67902 -84.27783 4.40119 2.39321 -85.04988 901.05903
|
|
4815.0000 -89.01021 -85.86077 3.14944 2.36689 -85.34729 875.10202
|
|
4820.0000 -90.28863 -86.37769 3.91094 2.29797 -86.12635 811.04135
|
|
4825.0000 -89.85778 -86.10107 3.75671 2.29474 -86.16288 785.73438
|
|
4830.0000 -89.74303 -85.26888 4.47415 2.34131 -85.63649 849.62108
|
|
4835.0000 -89.48529 -84.67970 4.80559 2.43688 -84.55625 868.64629
|
|
4840.0000 -88.20236 -84.10944 4.09292 2.44145 -84.50461 948.57148
|
|
4845.0000 -89.65138 -84.57604 5.07534 2.44646 -84.44797 929.52048
|
|
4850.0000 -88.97330 -86.04466 2.92864 2.31045 -85.98528 840.11082
|
|
4855.0000 -90.12130 -87.04877 3.07253 2.27287 -86.41004 739.49222
|
|
4860.0000 -89.83097 -85.57779 4.25318 2.28128 -86.31498 756.91342
|
|
4865.0000 -90.43803 -86.57572 3.86230 2.32845 -85.78179 811.17551
|
|
4870.0000 -89.79088 -86.72074 3.07014 2.23549 -86.83254 751.98175
|
|
4875.0000 -91.31851 -87.23578 4.08274 2.27278 -86.41109 821.52004
|
|
4880.0000 -89.04377 -85.42482 3.61895 2.31277 -85.95908 827.46180
|
|
4885.0000 -88.76979 -84.83827 3.93151 2.37957 -85.20399 844.92381
|
|
4890.0000 -89.70945 -84.70570 5.00375 2.43066 -84.62655 887.09982
|
|
4895.0000 -90.41441 -86.20632 4.20809 2.31809 -85.89886 816.64099
|
|
4900.0000 -90.90703 -87.47839 3.42865 2.20563 -87.17000 735.11334
|
|
4905.0000 -91.36670 -88.11016 3.25654 2.13190 -88.00344 685.11158
|
|
4910.0000 -90.60861 -86.74007 3.86854 2.21489 -87.06538 732.93147
|
|
4915.0000 -89.48595 -86.03070 3.45525 2.24785 -86.69282 753.27397
|
|
4920.0000 -91.16232 -86.46263 4.69968 2.31363 -85.94931 796.18499
|
|
4925.0000 -90.18599 -87.13952 3.04647 2.26347 -86.51624 822.22263
|
|
4930.0000 -90.47190 -87.57481 2.89709 2.19873 -87.24799 714.87200
|
|
4935.0000 -90.04541 -86.38103 3.66438 2.22752 -86.92258 708.88521
|
|
4940.0000 -90.03968 -86.55877 3.48091 2.25591 -86.60177 775.22830
|
|
4945.0000 -90.15703 -86.49854 3.65849 2.24348 -86.74226 728.07814
|
|
4950.0000 -90.67006 -86.07479 4.59526 2.35349 -85.49876 871.06327
|
|
4955.0000 -91.24180 -86.80543 4.43637 2.26048 -86.55003 809.68481
|
|
4960.0000 -89.54661 -85.46852 4.07809 2.26758 -86.46985 789.24785
|
|
4965.0000 -89.73776 -85.46473 4.27303 2.32928 -85.77247 855.94062
|
|
4970.0000 -89.47448 -84.91587 4.55861 2.38400 -85.15398 905.98132
|
|
4975.0000 -90.19108 -86.48652 3.70456 2.26998 -86.44265 800.18548
|
|
4980.0000 -90.27701 -86.41622 3.86079 2.30145 -86.08700 795.00010
|
|
4985.0000 -89.55662 -86.63708 2.91954 2.30893 -86.00241 818.21420
|
|
4990.0000 -89.59209 -86.61093 2.98116 2.25396 -86.62371 735.52898
|
|
4995.0000 -90.04322 -85.91032 4.13290 2.28491 -86.27395 815.91493
|
|
5000.0000 -90.18198 -85.26344 4.91854 2.43648 -84.56077 950.52638
|
|
MELTING PROCESS: loop number 21 T-loop= 850.00000000000000
|
|
main_MD> interactions number 21 at Temperature= 850.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.47531 -2.87051 -1.01734
|
|
force_rgl> df(natom) -0.36593 0.78193 1.94313
|
|
5005.0000 -89.87179 -86.15550 3.71629 2.34487 -85.59617 837.78037
|
|
5010.0000 -89.68457 -86.14604 3.53853 2.31648 -85.91714 834.47133
|
|
5015.0000 -89.95940 -85.92492 4.03447 2.31385 -85.94688 830.02432
|
|
5020.0000 -89.30317 -85.17079 4.13238 2.32836 -85.78287 834.09514
|
|
5025.0000 -89.36138 -85.63176 3.72962 2.43295 -84.60062 904.56166
|
|
5030.0000 -90.65007 -86.80271 3.84737 2.32987 -85.76579 857.91474
|
|
5035.0000 -89.58132 -85.80957 3.77175 2.33925 -85.65969 846.07585
|
|
5040.0000 -89.59069 -85.25058 4.34011 2.36770 -85.33816 866.80236
|
|
5045.0000 -89.96541 -85.31031 4.65510 2.39632 -85.01464 909.69938
|
|
5050.0000 -89.72379 -85.15790 4.56589 2.41479 -84.80587 912.83694
|
|
5055.0000 -90.48621 -85.55988 4.92633 2.32437 -85.82792 848.83112
|
|
5060.0000 -89.83567 -86.20451 3.63116 2.33742 -85.68040 813.41956
|
|
5065.0000 -89.37158 -84.54984 4.82174 2.34215 -85.62697 817.98339
|
|
5070.0000 -89.03221 -84.65472 4.37749 2.41540 -84.79906 907.77231
|
|
5075.0000 -88.03975 -84.44164 3.59811 2.42742 -84.66312 905.07686
|
|
5080.0000 -89.92745 -85.93226 3.99519 2.44606 -84.45254 870.26481
|
|
5085.0000 -89.32739 -86.36101 2.96639 2.30168 -86.08442 820.76271
|
|
5090.0000 -89.16998 -85.16985 4.00013 2.35979 -85.42756 850.24334
|
|
5095.0000 -90.14519 -86.30035 3.84484 2.33848 -85.66840 812.14697
|
|
5100.0000 -90.84496 -86.38562 4.45934 2.25266 -86.63846 778.17956
|
|
5105.0000 -88.81524 -85.66743 3.14782 2.25811 -86.57689 778.19263
|
|
5110.0000 -90.10325 -85.87469 4.22856 2.31646 -85.91737 841.45230
|
|
5115.0000 -90.00047 -85.54001 4.46046 2.33935 -85.65858 896.57350
|
|
5120.0000 -89.74728 -85.62611 4.12118 2.33383 -85.72095 818.57587
|
|
5125.0000 -89.01054 -85.15453 3.85601 2.38662 -85.12433 910.63423
|
|
5130.0000 -88.86611 -84.15874 4.70737 2.39466 -85.03341 902.35859
|
|
5135.0000 -87.56032 -83.20125 4.35907 2.52239 -83.58971 974.22457
|
|
5140.0000 -87.35219 -81.89842 5.45377 2.57215 -83.02733 938.97968
|
|
5145.0000 -87.36533 -82.27511 5.09022 2.69358 -81.65485 1118.16434
|
|
5150.0000 -89.37170 -85.16133 4.21036 2.53527 -83.44415 994.44423
|
|
5155.0000 -90.55874 -86.72127 3.83747 2.27918 -86.33875 802.66279
|
|
5160.0000 -89.51139 -85.25250 4.25889 2.26808 -86.46418 810.12590
|
|
5165.0000 -89.43006 -85.83973 3.59033 2.30051 -86.09758 779.06825
|
|
5170.0000 -90.74818 -85.72557 5.02261 2.29260 -86.18698 788.13163
|
|
5175.0000 -89.73324 -84.03080 5.70245 2.43367 -84.59250 920.66558
|
|
5180.0000 -90.02846 -85.50718 4.52128 2.39128 -85.07165 908.48051
|
|
5185.0000 -89.34966 -85.40281 3.94685 2.31879 -85.89095 846.87742
|
|
5190.0000 -88.86549 -84.85426 4.01123 2.39051 -85.08034 888.27173
|
|
5195.0000 -89.61782 -85.24172 4.37610 2.38031 -85.19564 868.31469
|
|
5200.0000 -90.11434 -86.60132 3.51301 2.30067 -86.09576 778.51745
|
|
5205.0000 -90.80848 -86.64200 4.16648 2.25039 -86.66416 754.83927
|
|
5210.0000 -88.27428 -85.06823 3.20605 2.29207 -86.19305 835.98644
|
|
5215.0000 -89.60653 -85.44105 4.16548 2.36561 -85.36183 857.35400
|
|
5220.0000 -87.59170 -82.99828 4.59342 2.46642 -84.22239 963.61651
|
|
5225.0000 -88.38673 -83.47272 4.91401 2.54456 -83.33918 1019.45985
|
|
5230.0000 -90.29865 -84.58722 5.71143 2.44907 -84.41851 914.36765
|
|
5235.0000 -89.46709 -84.93132 4.53577 2.39280 -85.05450 923.12750
|
|
5240.0000 -89.22050 -85.65619 3.56431 2.39252 -85.05760 849.47129
|
|
5245.0000 -90.37132 -86.67380 3.69752 2.29097 -86.20543 805.97477
|
|
5250.0000 -90.14833 -86.24160 3.90672 2.26495 -86.49957 785.43180
|
|
MELTING PROCESS: loop number 22 T-loop= 875.00000000000000
|
|
main_MD> interactions number 22 at Temperature= 875.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.42265 0.58758 -1.16325
|
|
force_rgl> df(natom) -0.57161 -3.04647 1.33319
|
|
5255.0000 -89.88687 -86.01446 3.87242 2.30071 -86.09533 805.48678
|
|
5260.0000 -90.56512 -86.01078 4.55434 2.29810 -86.12483 808.58338
|
|
5265.0000 -90.81969 -86.60520 4.21449 2.30407 -86.05743 825.99504
|
|
5270.0000 -89.96448 -84.59895 5.36553 2.27735 -86.35942 810.43342
|
|
5275.0000 -88.39005 -83.43588 4.95417 2.44706 -84.44118 947.89166
|
|
5280.0000 -88.21671 -82.85874 5.35797 2.53013 -83.50227 981.50006
|
|
5285.0000 -89.24468 -85.59690 3.64778 2.44662 -84.44613 942.36775
|
|
5290.0000 -89.36894 -85.25933 4.10961 2.38546 -85.13740 866.23072
|
|
5295.0000 -90.20869 -86.41410 3.79458 2.32390 -85.83329 841.18164
|
|
5300.0000 -90.18137 -86.04513 4.13624 2.29685 -86.13900 781.70814
|
|
5305.0000 -90.24471 -86.19719 4.04751 2.29797 -86.12636 830.51619
|
|
5310.0000 -89.62156 -85.67374 3.94781 2.36614 -85.35584 844.42065
|
|
5315.0000 -89.74575 -85.73505 4.01069 2.37434 -85.26307 906.32416
|
|
5320.0000 -90.40701 -86.03085 4.37616 2.28717 -86.24834 795.29026
|
|
5325.0000 -89.86344 -85.03359 4.82985 2.29526 -86.15694 811.54641
|
|
5330.0000 -89.89777 -85.34200 4.55577 2.42691 -84.66897 932.26110
|
|
5335.0000 -90.15713 -86.22120 3.93593 2.37677 -85.23566 834.16689
|
|
5340.0000 -89.75474 -85.82019 3.93454 2.27524 -86.38327 763.64773
|
|
5345.0000 -90.30010 -87.08232 3.21778 2.25617 -86.59881 778.18207
|
|
5350.0000 -90.97122 -86.76592 4.20530 2.24377 -86.73892 749.39062
|
|
5355.0000 -90.47479 -85.68806 4.78673 2.25385 -86.62502 760.66182
|
|
5360.0000 -90.43810 -86.57085 3.86726 2.27749 -86.35780 819.41706
|
|
5365.0000 -89.84169 -85.52880 4.31289 2.34135 -85.63599 861.14302
|
|
5370.0000 -89.07958 -85.19558 3.88400 2.33959 -85.65594 865.72516
|
|
5375.0000 -90.96031 -86.70150 4.25881 2.31010 -85.98924 823.83654
|
|
5380.0000 -89.11173 -84.63805 4.47368 2.27650 -86.36903 802.65460
|
|
5385.0000 -89.89234 -85.34731 4.54504 2.45710 -84.32767 933.94438
|
|
5390.0000 -88.72853 -84.02870 4.69983 2.43216 -84.60954 933.34949
|
|
5395.0000 -88.74405 -83.63596 5.10809 2.48461 -84.01674 918.71142
|
|
5400.0000 -89.60347 -85.44076 4.16270 2.45308 -84.37317 880.73418
|
|
5405.0000 -90.07760 -86.29266 3.78493 2.34970 -85.54168 859.84399
|
|
5410.0000 -90.34854 -86.43428 3.91427 2.28718 -86.24828 827.41641
|
|
5415.0000 -90.54281 -85.11014 5.43268 2.34530 -85.59139 847.58977
|
|
5420.0000 -89.88751 -85.80772 4.07980 2.41579 -84.79463 918.69226
|
|
5425.0000 -89.78882 -85.42067 4.36815 2.34835 -85.55683 849.83248
|
|
5430.0000 -90.49005 -86.17422 4.31583 2.32568 -85.81314 820.90876
|
|
5435.0000 -89.11062 -85.11615 3.99447 2.36335 -85.38737 843.45441
|
|
5440.0000 -87.92537 -83.96009 3.96528 2.35953 -85.43050 842.22925
|
|
5445.0000 -88.12528 -84.29138 3.83390 2.45895 -84.30678 921.39911
|
|
5450.0000 -90.27525 -85.56626 4.70900 2.43598 -84.56643 955.90457
|
|
5455.0000 -89.94086 -86.42440 3.51645 2.34153 -85.63394 867.06638
|
|
5460.0000 -91.07147 -86.89517 4.17630 2.22304 -86.97328 755.87404
|
|
5465.0000 -89.56317 -85.16080 4.40238 2.32328 -85.84024 834.96475
|
|
5470.0000 -89.26420 -85.17766 4.08654 2.35059 -85.53155 819.84867
|
|
5475.0000 -89.55760 -85.53596 4.02164 2.37342 -85.27355 881.40166
|
|
5480.0000 -89.58247 -85.17714 4.40533 2.43792 -84.54445 907.69207
|
|
5485.0000 -89.97591 -85.75099 4.22491 2.38364 -85.15805 881.36980
|
|
5490.0000 -90.00225 -85.70574 4.29651 2.35342 -85.49956 846.65408
|
|
5495.0000 -88.87617 -84.26620 4.60996 2.41708 -84.78006 933.99699
|
|
5500.0000 -89.00420 -85.19180 3.81240 2.42376 -84.70458 902.68650
|
|
MELTING PROCESS: loop number 23 T-loop= 900.00000000000000
|
|
main_MD> interactions number 23 at Temperature= 900.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.42139 0.51065 2.12712
|
|
force_rgl> df(natom) -1.20693 -2.10023 2.07971
|
|
5505.0000 -89.47795 -85.59144 3.88651 2.35171 -85.51889 848.64338
|
|
5510.0000 -88.34175 -84.54554 3.79621 2.37581 -85.24651 865.74202
|
|
5515.0000 -89.25135 -85.11680 4.13455 2.45883 -84.30812 953.67396
|
|
5520.0000 -91.03919 -86.96557 4.07362 2.26714 -86.47477 813.34710
|
|
5525.0000 -88.59795 -84.17623 4.42172 2.33718 -85.68314 796.66057
|
|
5530.0000 -89.63811 -84.85259 4.78552 2.45695 -84.32943 949.47270
|
|
5535.0000 -88.93089 -84.64943 4.28146 2.38724 -85.11731 886.13092
|
|
5540.0000 -89.50223 -84.88006 4.62217 2.41220 -84.83514 904.99971
|
|
5545.0000 -90.59589 -85.96176 4.63413 2.35234 -85.51178 824.45008
|
|
5550.0000 -88.88610 -84.66475 4.22136 2.38547 -85.13732 868.51070
|
|
5555.0000 -88.14949 -84.48188 3.66761 2.47122 -84.16809 921.22801
|
|
5560.0000 -88.95418 -85.04949 3.90469 2.44573 -84.45626 914.40448
|
|
5565.0000 -90.69089 -86.23554 4.45536 2.33259 -85.73498 892.99284
|
|
5570.0000 -90.86694 -86.35769 4.50925 2.25313 -86.63315 790.79456
|
|
5575.0000 -89.81645 -84.98329 4.83316 2.34077 -85.64260 890.55661
|
|
5580.0000 -89.82209 -84.88027 4.94182 2.41077 -84.85135 895.23682
|
|
5585.0000 -89.08247 -83.33939 5.74308 2.46248 -84.26692 940.92026
|
|
5590.0000 -89.22088 -84.59436 4.62652 2.46543 -84.23360 913.16887
|
|
5595.0000 -89.90070 -85.31683 4.58386 2.42578 -84.68171 905.39457
|
|
5600.0000 -88.46473 -83.57473 4.89000 2.39126 -85.07189 856.43764
|
|
5605.0000 -89.06047 -85.10845 3.95201 2.42057 -84.74058 922.61104
|
|
5610.0000 -89.66057 -85.05873 4.60184 2.39604 -85.01781 896.97895
|
|
5615.0000 -90.31996 -85.69853 4.62143 2.38509 -85.14162 868.19315
|
|
5620.0000 -89.31835 -85.38183 3.93652 2.34447 -85.60079 866.62489
|
|
5625.0000 -88.93016 -84.61265 4.31750 2.41783 -84.77152 896.32635
|
|
5630.0000 -89.42365 -85.01430 4.40935 2.41710 -84.77986 894.46657
|
|
5635.0000 -88.64211 -83.59832 5.04379 2.47038 -84.17756 964.13869
|
|
5640.0000 -88.28294 -84.05374 4.22920 2.54227 -83.36500 1001.55180
|
|
5645.0000 -89.50368 -84.47041 5.03327 2.42013 -84.74554 914.05189
|
|
5650.0000 -88.57817 -84.53441 4.04376 2.47090 -84.17174 955.04093
|
|
5655.0000 -87.63394 -83.73416 3.89979 2.49473 -83.90242 983.54160
|
|
5660.0000 -89.33257 -84.35157 4.98100 2.47432 -84.13308 961.42061
|
|
5665.0000 -87.65052 -83.30590 4.34462 2.50413 -83.79616 976.77556
|
|
5670.0000 -90.45136 -85.47588 4.97548 2.40207 -84.94967 896.55364
|
|
5675.0000 -88.93916 -85.38115 3.55802 2.35880 -85.43873 856.81231
|
|
5680.0000 -89.42090 -85.60207 3.81883 2.30970 -85.99369 825.12745
|
|
5685.0000 -89.72033 -85.79584 3.92448 2.32404 -85.83161 844.71646
|
|
5690.0000 -88.85054 -85.78579 3.06475 2.38208 -85.17567 873.18647
|
|
5695.0000 -89.65854 -84.59015 5.06839 2.40605 -84.90466 877.62670
|
|
5700.0000 -90.12239 -86.20634 3.91605 2.38482 -85.14466 922.67030
|
|
5705.0000 -89.38091 -85.43060 3.95031 2.34232 -85.62505 878.83117
|
|
5710.0000 -88.51804 -84.66191 3.85613 2.39955 -84.97815 901.92382
|
|
5715.0000 -88.70215 -84.19776 4.50439 2.41848 -84.76422 898.35282
|
|
5720.0000 -89.60114 -85.40238 4.19875 2.38924 -85.09470 860.05450
|
|
5725.0000 -90.40369 -86.29664 4.10705 2.31340 -85.95190 790.88201
|
|
5730.0000 -88.70535 -85.04026 3.66509 2.37804 -85.22134 871.22916
|
|
5735.0000 -89.54902 -84.79812 4.75090 2.47339 -84.14355 990.23395
|
|
5740.0000 -89.64949 -84.09016 5.55933 2.49515 -83.89761 1024.36501
|
|
5745.0000 -87.96418 -83.84979 4.11439 2.53225 -83.47830 1030.53931
|
|
5750.0000 -88.98539 -85.04228 3.94312 2.44298 -84.48725 917.58767
|
|
MELTING PROCESS: loop number 24 T-loop= 925.00000000000000
|
|
main_MD> interactions number 24 at Temperature= 925.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.07319 5.53564 4.53193
|
|
force_rgl> df(natom) 0.60236 0.01306 0.47899
|
|
5755.0000 -89.40509 -85.23241 4.17268 2.34158 -85.63335 861.08079
|
|
5760.0000 -89.74673 -85.42325 4.32348 2.35066 -85.53081 884.85957
|
|
5765.0000 -88.62915 -83.54601 5.08314 2.45549 -84.34586 926.60348
|
|
5770.0000 -88.43231 -83.72223 4.71008 2.50985 -83.73147 983.83857
|
|
5775.0000 -88.94544 -84.67678 4.26865 2.52194 -83.59484 991.54340
|
|
5780.0000 -88.57074 -83.72083 4.84990 2.49353 -83.91590 928.20741
|
|
5785.0000 -88.88874 -84.48111 4.40763 2.51925 -83.62524 940.20029
|
|
5790.0000 -88.84271 -84.69483 4.14788 2.47768 -84.09514 900.43067
|
|
5795.0000 -90.13244 -85.11266 5.01978 2.44715 -84.44012 914.96835
|
|
5800.0000 -87.84452 -82.36325 5.48127 2.47019 -84.17974 939.74667
|
|
5805.0000 -89.43046 -84.08736 5.34310 2.55465 -83.22511 1029.58674
|
|
5810.0000 -88.12911 -83.90405 4.22506 2.48478 -84.01484 931.22617
|
|
5815.0000 -88.92439 -84.06167 4.86272 2.44175 -84.50121 920.28704
|
|
5820.0000 -88.65045 -83.96848 4.68197 2.42115 -84.73403 926.98322
|
|
5825.0000 -89.21879 -84.53619 4.68260 2.44114 -84.50812 926.64527
|
|
5830.0000 -88.13258 -83.62450 4.50807 2.46719 -84.21368 952.54967
|
|
5835.0000 -88.98597 -84.15456 4.83141 2.48720 -83.98753 960.36727
|
|
5840.0000 -88.97538 -84.64757 4.32781 2.43569 -84.56969 937.05176
|
|
5845.0000 -89.93422 -85.10637 4.82784 2.39975 -84.97587 854.48967
|
|
5850.0000 -89.93202 -85.08811 4.84391 2.39265 -85.05622 932.42323
|
|
5855.0000 -89.74387 -85.36641 4.37745 2.36926 -85.32058 874.49903
|
|
5860.0000 -89.12522 -85.23748 3.88774 2.34764 -85.56493 847.23419
|
|
5865.0000 -89.05467 -84.13075 4.92392 2.54082 -83.38147 1017.29922
|
|
5870.0000 -89.34074 -84.96563 4.37511 2.40783 -84.88461 937.92702
|
|
5875.0000 -89.04249 -84.34208 4.70041 2.46341 -84.25640 947.01884
|
|
5880.0000 -88.85625 -84.46042 4.39583 2.44974 -84.41093 925.71515
|
|
5885.0000 -89.85017 -85.81410 4.03607 2.42061 -84.74015 922.07205
|
|
5890.0000 -89.64447 -85.67067 3.97380 2.32373 -85.83511 839.73503
|
|
5895.0000 -89.38138 -85.34485 4.03653 2.33112 -85.75165 800.01445
|
|
5900.0000 -89.69769 -85.11217 4.58552 2.36869 -85.32698 876.63961
|
|
5905.0000 -88.61265 -84.19800 4.41465 2.47050 -84.17627 938.36636
|
|
5910.0000 -89.33963 -85.43130 3.90833 2.43458 -84.58227 903.01676
|
|
5915.0000 -89.96196 -86.60907 3.35290 2.35346 -85.49916 794.40523
|
|
5920.0000 -89.20653 -85.22609 3.98043 2.28712 -86.24901 767.39415
|
|
5925.0000 -89.29902 -84.40101 4.89802 2.47370 -84.14005 947.30320
|
|
5930.0000 -88.90061 -84.56830 4.33231 2.46210 -84.27119 995.39337
|
|
5935.0000 -90.19238 -85.25592 4.93646 2.46143 -84.27877 984.22609
|
|
5940.0000 -89.02648 -85.04312 3.98336 2.39792 -84.99656 886.30165
|
|
5945.0000 -88.18386 -84.20169 3.98217 2.41205 -84.83692 900.95829
|
|
5950.0000 -89.74782 -85.29860 4.44921 2.41221 -84.83512 925.36691
|
|
5955.0000 -90.37945 -86.43536 3.94409 2.26566 -86.49151 801.88031
|
|
5960.0000 -88.32368 -84.77796 3.54572 2.35972 -85.42835 848.27623
|
|
5965.0000 -88.84723 -83.92527 4.92196 2.47393 -84.13748 953.89621
|
|
5970.0000 -88.41745 -82.73672 5.68073 2.54315 -83.35512 944.38096
|
|
5975.0000 -88.44213 -83.39749 5.04465 2.53693 -83.42537 984.88903
|
|
5980.0000 -88.82815 -83.64149 5.18666 2.54202 -83.36791 1035.69846
|
|
5985.0000 -87.57674 -82.99043 4.58631 2.60254 -82.68377 1054.63555
|
|
5990.0000 -88.36473 -83.30498 5.05975 2.59006 -82.82486 1049.25528
|
|
5995.0000 -89.46821 -85.13227 4.33595 2.49763 -83.86959 961.58318
|
|
6000.0000 -88.35745 -83.70911 4.64834 2.46612 -84.22574 965.30968
|
|
MELTING PROCESS: loop number 25 T-loop= 950.00000000000000
|
|
main_MD> interactions number 25 at Temperature= 950.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.59055 0.03195 -0.19975
|
|
force_rgl> df(natom) -1.23086 -0.06083 0.23175
|
|
6005.0000 -89.34929 -85.10393 4.24536 2.45516 -84.34959 931.61305
|
|
6010.0000 -89.48642 -84.38007 5.10635 2.36152 -85.40804 854.02120
|
|
6015.0000 -88.77887 -84.75457 4.02431 2.47928 -84.07698 948.50374
|
|
6020.0000 -89.23612 -85.25407 3.98205 2.40476 -84.91926 876.98853
|
|
6025.0000 -89.66618 -84.01492 5.65125 2.40606 -84.90459 930.14800
|
|
6030.0000 -89.38537 -82.15097 7.23440 2.52062 -83.60975 1018.67350
|
|
6035.0000 -87.64054 -83.19375 4.44680 2.56083 -83.15521 1010.37717
|
|
6040.0000 -89.71137 -83.16153 6.54984 2.54754 -83.30546 968.96487
|
|
6045.0000 -89.76390 -85.20907 4.55482 2.48645 -83.99601 943.68484
|
|
6050.0000 -90.53905 -86.77749 3.76156 2.27967 -86.33319 760.44712
|
|
6055.0000 -89.07484 -84.79357 4.28127 2.32719 -85.79607 853.75970
|
|
6060.0000 -88.85855 -83.33044 5.52811 2.49851 -83.85967 989.65318
|
|
6065.0000 -89.16510 -83.24443 5.92067 2.53461 -83.45159 1001.25222
|
|
6070.0000 -88.87245 -83.70981 5.16264 2.51070 -83.72185 973.49900
|
|
6075.0000 -88.49363 -84.49845 3.99519 2.49947 -83.84880 968.38616
|
|
6080.0000 -89.86065 -84.42647 5.43418 2.45481 -84.35353 918.43055
|
|
6085.0000 -88.61556 -84.61565 3.99991 2.44309 -84.48602 925.18222
|
|
6090.0000 -90.00523 -84.54762 5.45761 2.41673 -84.78394 885.97120
|
|
6095.0000 -88.91407 -83.52818 5.38589 2.49582 -83.89009 1018.93433
|
|
6100.0000 -88.50230 -84.24214 4.26017 2.51892 -83.62892 1000.92083
|
|
6105.0000 -88.03120 -82.82875 5.20245 2.56222 -83.13957 1024.19367
|
|
6110.0000 -88.02294 -82.30157 5.72136 2.55623 -83.20730 1018.67802
|
|
6115.0000 -88.69308 -83.12018 5.57290 2.56817 -83.07227 1016.78076
|
|
6120.0000 -88.30847 -83.22895 5.07951 2.60305 -82.67804 1090.88850
|
|
6125.0000 -89.24433 -83.95958 5.28475 2.54647 -83.31759 1036.99402
|
|
6130.0000 -88.96230 -84.57791 4.38438 2.47223 -84.15664 981.00008
|
|
6135.0000 -89.60866 -84.02015 5.58851 2.45366 -84.36657 958.99072
|
|
6140.0000 -88.72263 -84.50919 4.21344 2.43542 -84.57278 939.92990
|
|
6145.0000 -88.60950 -83.58326 5.02624 2.50714 -83.76214 966.16287
|
|
6150.0000 -88.89889 -84.67850 4.22039 2.49524 -83.89662 992.85079
|
|
6155.0000 -88.13020 -83.06989 5.06031 2.50209 -83.81919 957.68493
|
|
6160.0000 -87.70029 -83.59838 4.10191 2.49011 -83.95461 958.40109
|
|
6165.0000 -89.40253 -84.89376 4.50877 2.50966 -83.73367 1013.72604
|
|
6170.0000 -89.34714 -85.51138 3.83576 2.35410 -85.49191 884.71075
|
|
6175.0000 -88.52926 -83.76286 4.76640 2.45019 -84.40579 947.75869
|
|
6180.0000 -88.35502 -82.23808 6.11693 2.61410 -82.55310 1039.01801
|
|
6185.0000 -88.80318 -83.82522 4.97796 2.52863 -83.51921 998.67655
|
|
6190.0000 -89.04873 -83.52400 5.52473 2.47825 -84.08860 997.73915
|
|
6195.0000 -89.66409 -86.12887 3.53522 2.43130 -84.61926 906.65844
|
|
6200.0000 -88.80221 -83.91885 4.88336 2.42863 -84.64951 906.62064
|
|
6205.0000 -89.88862 -85.16638 4.72224 2.42513 -84.68900 931.81145
|
|
6210.0000 -88.99709 -85.06838 3.92871 2.35510 -85.48057 850.24305
|
|
6215.0000 -89.78876 -85.88284 3.90592 2.40034 -84.96921 860.54558
|
|
6220.0000 -87.55321 -83.44721 4.10600 2.48676 -83.99240 902.18731
|
|
6225.0000 -87.72296 -81.69676 6.02620 2.54775 -83.30309 1017.42218
|
|
6230.0000 -88.50004 -83.44652 5.05352 2.64831 -82.16642 1049.56215
|
|
6235.0000 -89.44778 -83.99244 5.45534 2.47941 -84.07551 961.56291
|
|
6240.0000 -88.15021 -82.78088 5.36933 2.53926 -83.39902 983.61677
|
|
6245.0000 -88.21611 -83.93071 4.28540 2.52825 -83.52347 979.26095
|
|
6250.0000 -89.16806 -84.06272 5.10534 2.49946 -83.84891 936.81187
|
|
MELTING PROCESS: loop number 26 T-loop= 975.00000000000000
|
|
main_MD> interactions number 26 at Temperature= 975.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.69536 -0.44533 1.04917
|
|
force_rgl> df(natom) -2.55863 1.27884 3.47285
|
|
6255.0000 -89.26199 -83.99853 5.26346 2.42726 -84.66501 917.67194
|
|
6260.0000 -90.19386 -85.03687 5.15699 2.41119 -84.84657 943.94162
|
|
6265.0000 -87.80505 -83.26995 4.53510 2.49333 -83.91815 999.79344
|
|
6270.0000 -87.97579 -82.56285 5.41294 2.55158 -83.25976 999.17472
|
|
6275.0000 -88.83008 -83.45994 5.37014 2.57491 -82.99609 1067.01551
|
|
6280.0000 -88.68929 -84.38265 4.30664 2.54387 -83.34700 1052.44605
|
|
6285.0000 -89.56146 -83.99978 5.56168 2.45513 -84.34994 932.03851
|
|
6290.0000 -87.05265 -81.69002 5.36263 2.53714 -83.42297 1010.63746
|
|
6295.0000 -88.82917 -83.83167 4.99750 2.59456 -82.77405 1053.30610
|
|
6300.0000 -88.67923 -82.95244 5.72680 2.55600 -83.20990 1048.93873
|
|
6305.0000 -87.97119 -84.73317 3.23802 2.54086 -83.38100 932.14320
|
|
6310.0000 -88.54096 -83.87288 4.66808 2.46391 -84.25070 932.01077
|
|
6315.0000 -88.44975 -84.20772 4.24203 2.49396 -83.91104 926.86527
|
|
6320.0000 -88.74573 -84.00653 4.73920 2.53347 -83.46453 980.48198
|
|
6325.0000 -89.16479 -83.94307 5.22171 2.49072 -83.94773 989.55387
|
|
6330.0000 -87.52174 -83.04055 4.48119 2.46803 -84.20415 945.69284
|
|
6335.0000 -89.36386 -84.11436 5.24950 2.53410 -83.45740 1058.29214
|
|
6340.0000 -88.81365 -84.54873 4.26491 2.46729 -84.21248 978.39047
|
|
6345.0000 -89.02252 -84.37779 4.64473 2.43753 -84.54893 936.98382
|
|
6350.0000 -88.45896 -84.05836 4.40060 2.47910 -84.07901 972.06924
|
|
6355.0000 -88.88016 -84.80967 4.07049 2.44899 -84.41942 939.11709
|
|
6360.0000 -87.89693 -83.50315 4.39378 2.46038 -84.29060 926.95636
|
|
6365.0000 -89.39375 -84.78706 4.60668 2.46051 -84.28913 972.37423
|
|
6370.0000 -89.46749 -84.37103 5.09647 2.49147 -83.93924 989.05307
|
|
6375.0000 -88.94321 -82.84695 6.09626 2.49405 -83.91000 1003.25811
|
|
6380.0000 -89.07403 -83.67268 5.40135 2.56404 -83.11893 1059.04116
|
|
6385.0000 -89.40177 -84.22070 5.18107 2.46594 -84.22777 934.96291
|
|
6390.0000 -86.92938 -82.68633 4.24305 2.55224 -83.25239 1068.94034
|
|
6395.0000 -88.80665 -83.67813 5.12852 2.56416 -83.11763 1021.98520
|
|
6400.0000 -88.98295 -84.80976 4.17319 2.45491 -84.35250 912.70289
|
|
6405.0000 -89.12562 -84.64133 4.48429 2.46378 -84.25221 943.73424
|
|
6410.0000 -89.01053 -84.14454 4.86599 2.43541 -84.57282 926.88382
|
|
6415.0000 -88.95064 -83.33478 5.61586 2.54118 -83.37736 987.26304
|
|
6420.0000 -87.59383 -83.28035 4.31347 2.51898 -83.62824 963.21792
|
|
6425.0000 -87.46090 -82.24626 5.21464 2.56350 -83.12507 1047.71467
|
|
6430.0000 -88.11382 -82.98538 5.12844 2.60351 -82.67287 1043.01996
|
|
6435.0000 -88.99135 -83.80161 5.18973 2.62595 -82.41919 1084.26290
|
|
6440.0000 -88.65987 -83.92869 4.73118 2.49699 -83.87686 965.01285
|
|
6445.0000 -89.12703 -85.16047 3.96656 2.47068 -84.17422 956.58797
|
|
6450.0000 -88.35724 -84.64791 3.70933 2.46267 -84.26476 929.80161
|
|
6455.0000 -90.32468 -85.45797 4.86671 2.38444 -85.14897 889.38920
|
|
6460.0000 -89.22734 -83.68195 5.54539 2.43407 -84.58806 896.11567
|
|
6465.0000 -88.11783 -82.12206 5.99576 2.55594 -83.21053 1037.64408
|
|
6470.0000 -88.54611 -83.41869 5.12742 2.63172 -82.35404 1043.01266
|
|
6475.0000 -87.52790 -82.16343 5.36447 2.59622 -82.75523 1067.09691
|
|
6480.0000 -88.36262 -82.99071 5.37191 2.59191 -82.80397 1003.42899
|
|
6485.0000 -87.94928 -83.96034 3.98893 2.51944 -83.62313 1006.27025
|
|
6490.0000 -89.60649 -83.72774 5.87875 2.52199 -83.59430 988.01463
|
|
6495.0000 -88.97644 -84.20441 4.77204 2.44524 -84.46176 936.56463
|
|
6500.0000 -89.54140 -85.51435 4.02705 2.39485 -85.03132 905.71660
|
|
MELTING PROCESS: loop number 27 T-loop= 1000.0000000000000
|
|
main_MD> interactions number 27 at Temperature= 1000.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.84357 4.84874 -0.18960
|
|
force_rgl> df(natom) 1.66545 0.27280 -0.37847
|
|
6505.0000 -88.79980 -82.37917 6.42064 2.51135 -83.71455 1012.29973
|
|
6510.0000 -88.82085 -83.18677 5.63408 2.56615 -83.09513 1025.32739
|
|
6515.0000 -88.32549 -83.10586 5.21963 2.53866 -83.40585 1026.03694
|
|
6520.0000 -87.66918 -82.96008 4.70910 2.56526 -83.10522 1014.64938
|
|
6525.0000 -87.82900 -82.61711 5.21190 2.54312 -83.35546 982.31382
|
|
6530.0000 -88.48324 -82.76204 5.72120 2.54463 -83.33834 989.64026
|
|
6535.0000 -89.24783 -84.47482 4.77301 2.51181 -83.70933 998.97384
|
|
6540.0000 -89.95150 -84.45067 5.50083 2.42831 -84.65315 951.27186
|
|
6545.0000 -90.14171 -85.56278 4.57893 2.44199 -84.49849 941.74939
|
|
6550.0000 -88.37003 -84.10009 4.26994 2.44277 -84.48966 913.02681
|
|
6555.0000 -88.15104 -83.49440 4.65664 2.56171 -83.14525 1037.43740
|
|
6560.0000 -86.68590 -81.29150 5.39441 2.61633 -82.52792 1058.53010
|
|
6565.0000 -85.66765 -79.63057 6.03708 2.81316 -80.30324 1252.89313
|
|
6570.0000 -86.33255 -81.10006 5.23249 2.78566 -80.61403 1234.34871
|
|
6575.0000 -88.81534 -84.59863 4.21671 2.62926 -82.38177 1037.01067
|
|
6580.0000 -88.07283 -82.89814 5.17469 2.46829 -84.20117 952.34778
|
|
6585.0000 -87.42047 -83.00398 4.41649 2.56052 -83.15874 999.73817
|
|
6590.0000 -87.80576 -83.72361 4.08215 2.53917 -83.40002 991.35028
|
|
6595.0000 -88.81405 -84.16900 4.64505 2.49323 -83.91929 965.54596
|
|
6600.0000 -89.27008 -85.61308 3.65700 2.42044 -84.74207 894.81877
|
|
6605.0000 -89.20658 -85.00974 4.19684 2.40668 -84.89753 869.87347
|
|
6610.0000 -88.25638 -83.71608 4.54030 2.47387 -84.13812 936.57290
|
|
6615.0000 -88.50473 -83.81257 4.69216 2.49080 -83.94675 961.42570
|
|
6620.0000 -88.89511 -84.44364 4.45147 2.50427 -83.79458 964.43897
|
|
6625.0000 -88.14886 -83.53683 4.61204 2.46561 -84.23148 924.52078
|
|
6630.0000 -87.93574 -82.30479 5.63095 2.53471 -83.45048 1013.47482
|
|
6635.0000 -87.08725 -82.54074 4.54650 2.62843 -82.39123 1066.73498
|
|
6640.0000 -88.30087 -83.35235 4.94852 2.56635 -83.09291 1035.89549
|
|
6645.0000 -88.09573 -82.98925 5.10647 2.54837 -83.29610 1027.85479
|
|
6650.0000 -88.47598 -83.28082 5.19516 2.53053 -83.49770 998.05461
|
|
6655.0000 -87.29587 -83.01504 4.28083 2.61554 -82.53686 1055.19331
|
|
6660.0000 -86.51540 -80.99990 5.51550 2.69135 -81.67999 1136.83380
|
|
6665.0000 -86.78511 -80.57257 6.21254 2.67278 -81.88991 1151.39935
|
|
6670.0000 -88.07906 -82.69379 5.38527 2.63187 -82.35228 1081.93550
|
|
6675.0000 -89.00442 -84.20926 4.79516 2.58038 -82.93425 1048.26208
|
|
6680.0000 -87.80695 -82.78649 5.02047 2.43905 -84.53173 949.66238
|
|
6685.0000 -88.02666 -82.71320 5.31347 2.61633 -82.52797 1099.15908
|
|
6690.0000 -88.32662 -83.33142 4.99520 2.61782 -82.51114 1077.35277
|
|
6695.0000 -88.72204 -83.03019 5.69186 2.61786 -82.51068 1128.08191
|
|
6700.0000 -87.44569 -82.45979 4.98591 2.56969 -83.05511 1025.09086
|
|
6705.0000 -87.19170 -82.74624 4.44546 2.54743 -83.30669 1003.27389
|
|
6710.0000 -88.33688 -83.42199 4.91489 2.52887 -83.51645 995.67364
|
|
6715.0000 -88.50472 -83.82703 4.67769 2.54317 -83.35487 1037.31762
|
|
6720.0000 -88.23338 -83.69793 4.53545 2.50151 -83.82570 960.37400
|
|
6725.0000 -86.40773 -82.03396 4.37376 2.54785 -83.30192 1020.83016
|
|
6730.0000 -88.49632 -84.03234 4.46398 2.59779 -82.73747 1071.86704
|
|
6735.0000 -87.59516 -82.71647 4.87869 2.56483 -83.11009 1051.86831
|
|
6740.0000 -88.10192 -82.88752 5.21440 2.55171 -83.25834 1010.89605
|
|
6745.0000 -87.74430 -82.76750 4.97681 2.56037 -83.16049 999.81760
|
|
6750.0000 -86.59891 -82.24303 4.35589 2.64549 -82.19831 1070.11197
|
|
MELTING PROCESS: loop number 28 T-loop= 1025.0000000000000
|
|
main_MD> interactions number 28 at Temperature= 1025.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.64544 4.33920 -0.20846
|
|
force_rgl> df(natom) -6.34077 1.53421 -0.59708
|
|
6755.0000 -86.86364 -82.96334 3.90030 2.61738 -82.51603 1038.65430
|
|
6760.0000 -88.85960 -83.87618 4.98342 2.59668 -82.75006 1035.35899
|
|
6765.0000 -87.04980 -83.06452 3.98528 2.55376 -83.23515 1009.21741
|
|
6770.0000 -88.82835 -84.07856 4.74979 2.50890 -83.74217 987.86204
|
|
6775.0000 -86.89298 -81.71168 5.18130 2.63646 -82.30047 1121.08325
|
|
6780.0000 -88.59452 -83.45396 5.14057 2.64298 -82.22671 1060.23210
|
|
6785.0000 -88.89436 -83.37305 5.52131 2.56320 -83.12849 1019.29061
|
|
6790.0000 -89.09396 -83.64780 5.44616 2.51886 -83.62968 925.57731
|
|
6795.0000 -87.45167 -82.78060 4.67106 2.57203 -83.02861 1075.67587
|
|
6800.0000 -87.91297 -82.96545 4.94753 2.58058 -82.93204 974.72853
|
|
6805.0000 -87.26125 -82.72355 4.53770 2.60166 -82.69373 1086.71499
|
|
6810.0000 -89.00925 -83.36498 5.64427 2.59085 -82.81594 1070.25844
|
|
6815.0000 -87.52411 -82.75622 4.76789 2.57823 -82.95853 1025.18700
|
|
6820.0000 -88.55169 -83.59258 4.95911 2.54434 -83.34159 1003.87646
|
|
6825.0000 -88.62184 -84.87755 3.74429 2.46908 -84.19230 950.04788
|
|
6830.0000 -87.87824 -83.38140 4.49684 2.47029 -84.17863 955.89587
|
|
6835.0000 -88.32742 -83.64423 4.68319 2.52673 -83.54070 977.78176
|
|
6840.0000 -88.51938 -83.89532 4.62406 2.52108 -83.60454 946.87541
|
|
6845.0000 -88.40029 -83.55657 4.84373 2.48157 -84.05117 962.13689
|
|
6850.0000 -87.51365 -82.64534 4.86830 2.58679 -82.86185 1028.87338
|
|
6855.0000 -88.30343 -83.09635 5.20708 2.55615 -83.20816 1020.66604
|
|
6860.0000 -88.88967 -84.54501 4.34466 2.49287 -83.92340 978.04870
|
|
6865.0000 -88.39722 -83.34474 5.05248 2.53753 -83.41864 978.28034
|
|
6870.0000 -86.33226 -81.50797 4.82430 2.68822 -81.71536 1139.26101
|
|
6875.0000 -86.90161 -82.46933 4.43227 2.70589 -81.51561 1136.98244
|
|
6880.0000 -87.91669 -83.17201 4.74468 2.61011 -82.59819 1075.76264
|
|
6885.0000 -90.15030 -85.07870 5.07160 2.45316 -84.37223 920.68093
|
|
6890.0000 -89.22145 -85.02786 4.19359 2.45505 -84.35082 937.78283
|
|
6895.0000 -87.71449 -83.70312 4.01137 2.45989 -84.29619 948.47806
|
|
6900.0000 -88.93334 -83.47506 5.45828 2.53062 -83.49676 993.34415
|
|
6905.0000 -88.07418 -82.13577 5.93840 2.64380 -82.21742 1133.86471
|
|
6910.0000 -89.20221 -84.10798 5.09423 2.58194 -82.91661 1040.13930
|
|
6915.0000 -89.13600 -84.13273 5.00327 2.43728 -84.55172 932.82483
|
|
6920.0000 -89.37147 -83.55295 5.81852 2.50493 -83.78711 1006.18345
|
|
6925.0000 -88.23250 -83.02920 5.20330 2.58890 -82.83803 1067.04155
|
|
6930.0000 -88.43463 -82.59253 5.84210 2.56425 -83.11657 1034.36348
|
|
6935.0000 -87.60547 -82.17881 5.42666 2.64613 -82.19112 1066.42774
|
|
6940.0000 -87.56665 -83.68199 3.88466 2.52006 -83.61608 1006.36656
|
|
6945.0000 -88.64745 -83.34203 5.30542 2.54101 -83.37925 974.93071
|
|
6950.0000 -88.45641 -83.72278 4.73363 2.45137 -84.39245 914.96926
|
|
6955.0000 -87.86876 -83.07133 4.79743 2.52481 -83.56241 967.24507
|
|
6960.0000 -88.79459 -82.94460 5.84999 2.52159 -83.59873 1005.04108
|
|
6965.0000 -87.82570 -83.48673 4.33898 2.52324 -83.58015 1000.56522
|
|
6970.0000 -88.82925 -83.97297 4.85629 2.50639 -83.77060 974.30058
|
|
6975.0000 -87.63021 -82.27350 5.35670 2.63578 -82.30811 1101.04744
|
|
6980.0000 -87.21418 -82.15241 5.06176 2.63733 -82.29063 1083.75914
|
|
6985.0000 -86.70425 -81.16912 5.53513 2.70254 -81.55346 1118.67145
|
|
6990.0000 -87.56848 -82.53526 5.03322 2.71999 -81.35634 1147.12319
|
|
6995.0000 -88.10013 -83.96671 4.13342 2.53947 -83.39670 1020.20125
|
|
7000.0000 -87.90517 -82.82489 5.08028 2.54610 -83.32173 1044.06219
|
|
MELTING PROCESS: loop number 29 T-loop= 1050.0000000000000
|
|
main_MD> interactions number 29 at Temperature= 1050.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.56554 -0.63108 -4.75695
|
|
force_rgl> df(natom) 0.55003 -3.87909 -0.57088
|
|
7005.0000 -87.76839 -83.23956 4.52882 2.64214 -82.23622 1051.57111
|
|
7010.0000 -87.15163 -82.35116 4.80047 2.59619 -82.75560 1098.88580
|
|
7015.0000 -86.53218 -81.77494 4.75724 2.67486 -81.86637 1142.08790
|
|
7020.0000 -87.74622 -81.79058 5.95565 2.65894 -82.04628 1087.10821
|
|
7025.0000 -87.92887 -82.11722 5.81165 2.64526 -82.20091 1088.55854
|
|
7030.0000 -87.14549 -82.14247 5.00302 2.65980 -82.03655 1095.67934
|
|
7035.0000 -88.20989 -82.78321 5.42668 2.61708 -82.51942 1100.10275
|
|
7040.0000 -86.93515 -82.13523 4.79992 2.67020 -81.91900 1124.01538
|
|
7045.0000 -88.57788 -83.65176 4.92612 2.61361 -82.55863 1078.99165
|
|
7050.0000 -88.00490 -83.03630 4.96860 2.52404 -83.57106 1012.41555
|
|
7055.0000 -88.82907 -83.04902 5.78004 2.60728 -82.63021 1096.99588
|
|
7060.0000 -88.96910 -84.22557 4.74353 2.54305 -83.35618 1057.30361
|
|
7065.0000 -87.60830 -82.20081 5.40748 2.55431 -83.22896 1013.27805
|
|
7070.0000 -88.04306 -82.63645 5.40662 2.65835 -82.05304 1131.47353
|
|
7075.0000 -88.51453 -84.56980 3.94472 2.57545 -82.99004 1035.27208
|
|
7080.0000 -88.93676 -83.50428 5.43248 2.45288 -84.37539 928.84078
|
|
7085.0000 -88.93527 -83.67053 5.26474 2.55629 -83.20658 1029.92770
|
|
7090.0000 -88.70201 -84.09759 4.60441 2.51593 -83.66275 1013.52164
|
|
7095.0000 -88.16950 -83.44273 4.72677 2.47565 -84.11800 941.25931
|
|
7100.0000 -87.85352 -82.94664 4.90687 2.47475 -84.12820 922.85541
|
|
7105.0000 -88.34751 -84.09463 4.25288 2.48851 -83.97272 998.93039
|
|
7110.0000 -88.35105 -83.32550 5.02555 2.51796 -83.63978 956.39072
|
|
7115.0000 -89.84857 -83.78013 6.06844 2.53937 -83.39784 1026.41072
|
|
7120.0000 -87.52774 -82.11356 5.41418 2.66879 -81.93504 1070.70414
|
|
7125.0000 -88.22637 -82.86012 5.36626 2.63648 -82.30022 1087.05665
|
|
7130.0000 -87.98173 -81.93678 6.04495 2.59487 -82.77044 1069.81866
|
|
7135.0000 -87.81312 -81.59664 6.21648 2.67247 -81.89342 1141.94757
|
|
7140.0000 -87.17300 -81.03842 6.13458 2.77218 -80.76640 1207.34674
|
|
7145.0000 -88.00208 -83.10449 4.89760 2.60517 -82.65408 1101.65226
|
|
7150.0000 -87.88416 -83.34592 4.53823 2.57991 -82.93960 1063.65469
|
|
7155.0000 -87.87430 -82.10164 5.77266 2.55244 -83.25003 1050.13031
|
|
7160.0000 -87.35040 -81.14831 6.20209 2.70038 -81.57791 1143.05049
|
|
7165.0000 -87.16223 -82.36621 4.79601 2.73882 -81.14345 1160.87029
|
|
7170.0000 -87.28088 -81.29612 5.98477 2.63725 -82.29150 1109.43446
|
|
7175.0000 -88.24749 -80.98642 7.26107 2.70652 -81.50848 1166.58439
|
|
7180.0000 -87.62727 -82.44046 5.18681 2.63037 -82.36926 1060.79075
|
|
7185.0000 -87.35163 -83.04433 4.30730 2.60537 -82.65182 1071.95148
|
|
7190.0000 -87.11837 -82.50040 4.61797 2.58297 -82.90502 1035.73079
|
|
7195.0000 -87.65510 -82.51415 5.14095 2.64889 -82.15997 1046.44708
|
|
7200.0000 -88.32423 -83.76502 4.55921 2.54276 -83.35953 1020.21587
|
|
7205.0000 -87.97736 -81.97230 6.00506 2.61278 -82.56805 1023.91027
|
|
7210.0000 -86.63908 -81.21997 5.41911 2.68988 -81.69658 1161.72740
|
|
7215.0000 -87.26902 -81.13582 6.13319 2.72964 -81.24725 1161.36520
|
|
7220.0000 -87.25413 -81.87673 5.37740 2.71778 -81.38124 1206.06547
|
|
7225.0000 -87.60628 -83.16271 4.44356 2.60180 -82.69223 1084.15618
|
|
7230.0000 -87.68349 -82.35281 5.33069 2.55313 -83.24224 1030.51636
|
|
7235.0000 -88.88857 -84.23885 4.64972 2.56184 -83.14379 1014.94753
|
|
7240.0000 -88.34651 -82.44275 5.90376 2.52016 -83.61498 1013.05901
|
|
7245.0000 -86.79506 -81.28510 5.50996 2.67116 -81.90817 1124.88074
|
|
7250.0000 -86.38203 -80.67905 5.70299 2.75385 -80.97359 1201.14635
|
|
MELTING PROCESS: loop number 30 T-loop= 1075.0000000000000
|
|
main_MD> interactions number 30 at Temperature= 1075.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.41593 -0.09043 -3.98974
|
|
force_rgl> df(natom) 1.27113 2.12994 -1.87903
|
|
7255.0000 -87.39927 -82.86416 4.53510 2.73018 -81.24116 1193.65885
|
|
7260.0000 -88.37539 -83.90309 4.47230 2.59891 -82.72485 1029.42077
|
|
7265.0000 -88.98079 -83.83287 5.14792 2.49466 -83.90320 970.42217
|
|
7270.0000 -88.84475 -84.46865 4.37610 2.52885 -83.51676 951.98660
|
|
7275.0000 -85.82864 -81.01027 4.81837 2.61569 -82.53514 1079.39917
|
|
7280.0000 -87.14014 -80.78392 6.35622 2.68991 -81.69625 1130.83647
|
|
7285.0000 -87.21381 -81.50828 5.70553 2.74176 -81.11021 1168.08274
|
|
7290.0000 -89.09501 -82.24661 6.84839 2.64539 -82.19946 1062.57020
|
|
7295.0000 -89.73658 -84.11369 5.62290 2.61350 -82.55997 1117.16688
|
|
7300.0000 -88.29292 -82.66332 5.62960 2.54461 -83.33858 1034.80151
|
|
7305.0000 -86.78424 -81.49469 5.28955 2.60299 -82.67872 1081.04608
|
|
7310.0000 -89.04877 -84.32086 4.72791 2.61041 -82.59483 1086.60851
|
|
7315.0000 -88.65933 -83.64193 5.01740 2.55586 -83.21139 985.11734
|
|
7320.0000 -87.34437 -82.93894 4.40543 2.53167 -83.48488 1029.49967
|
|
7325.0000 -87.35347 -82.90897 4.44450 2.59018 -82.82355 1056.16730
|
|
7330.0000 -88.07277 -82.22390 5.84887 2.57532 -82.99144 1070.19456
|
|
7335.0000 -87.57392 -83.22385 4.35007 2.59363 -82.78452 1077.66346
|
|
7340.0000 -86.64771 -82.69072 3.95699 2.60102 -82.70093 1050.60078
|
|
7345.0000 -88.07870 -82.77307 5.30563 2.63981 -82.26250 1057.33978
|
|
7350.0000 -87.82699 -82.60887 5.21812 2.64157 -82.24270 1089.33742
|
|
7355.0000 -86.83708 -82.20092 4.63616 2.67316 -81.88555 1102.16666
|
|
7360.0000 -86.83668 -81.20397 5.63271 2.62995 -82.37398 1084.14275
|
|
7365.0000 -86.31134 -81.67780 4.63354 2.70473 -81.52875 1184.85227
|
|
7370.0000 -85.67443 -80.13180 5.54262 2.76871 -80.80562 1155.63353
|
|
7375.0000 -88.47872 -83.59356 4.88516 2.62687 -82.40884 1027.46845
|
|
7380.0000 -87.73860 -82.33019 5.40841 2.57171 -83.03228 994.16835
|
|
7385.0000 -87.50738 -82.51546 4.99192 2.59029 -82.82230 1050.27143
|
|
7390.0000 -87.99607 -82.98344 5.01263 2.57347 -83.01237 1057.31171
|
|
7395.0000 -88.45524 -81.95437 6.50086 2.62042 -82.48172 1029.07137
|
|
7400.0000 -87.65274 -83.06030 4.59244 2.68372 -81.76628 1173.08928
|
|
7405.0000 -88.55777 -83.47241 5.08536 2.51628 -83.65879 931.56226
|
|
7410.0000 -88.49885 -83.32566 5.17319 2.59839 -82.73070 1049.45410
|
|
7415.0000 -88.72802 -84.08542 4.64260 2.45204 -84.38486 939.98899
|
|
7420.0000 -87.99562 -83.33009 4.66553 2.49717 -83.87484 970.42498
|
|
7425.0000 -88.12008 -83.24741 4.87267 2.52378 -83.57404 1017.35608
|
|
7430.0000 -89.12637 -83.69930 5.42707 2.49168 -83.93687 996.22884
|
|
7435.0000 -86.68574 -81.71430 4.97143 2.62413 -82.43974 1069.47369
|
|
7440.0000 -86.86834 -81.89156 4.97678 2.69568 -81.63104 1135.31374
|
|
7445.0000 -87.22086 -81.43425 5.78661 2.68626 -81.73758 1107.93039
|
|
7450.0000 -87.36458 -83.07990 4.28468 2.61607 -82.53090 1098.23371
|
|
7455.0000 -85.76801 -79.62556 6.14245 2.68368 -81.76669 1100.33999
|
|
7460.0000 -86.94398 -80.02509 6.91889 2.74807 -81.03891 1197.39510
|
|
7465.0000 -87.47136 -82.30164 5.16972 2.74544 -81.06863 1157.43342
|
|
7470.0000 -88.51518 -83.34970 5.16548 2.58632 -82.86709 1059.31048
|
|
7475.0000 -88.63386 -82.94010 5.69375 2.58753 -82.85343 1042.65021
|
|
7480.0000 -88.14226 -83.02200 5.12026 2.58935 -82.83286 1072.72653
|
|
7485.0000 -87.94507 -82.69188 5.25319 2.56221 -83.13968 1018.22693
|
|
7490.0000 -86.43714 -80.43703 6.00011 2.73737 -81.15983 1143.03095
|
|
7495.0000 -86.68383 -81.69231 4.99153 2.75923 -80.91275 1181.57438
|
|
7500.0000 -87.93359 -83.39700 4.53660 2.61272 -82.56871 1036.02753
|
|
MELTING PROCESS: loop number 31 T-loop= 1100.0000000000000
|
|
main_MD> interactions number 31 at Temperature= 1100.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.72497 -2.87207 -0.45590
|
|
force_rgl> df(natom) -4.34558 -2.53628 -2.12972
|
|
7505.0000 -87.90594 -83.15793 4.74801 2.60305 -82.67802 1032.74620
|
|
7510.0000 -86.94533 -82.54708 4.39824 2.56249 -83.13645 1000.69893
|
|
7515.0000 -86.31766 -80.82760 5.49006 2.73046 -81.23797 1161.52209
|
|
7520.0000 -88.41475 -83.14704 5.26772 2.68202 -81.78550 1123.42710
|
|
7525.0000 -87.45854 -82.99492 4.46363 2.55733 -83.19483 1036.32893
|
|
7530.0000 -87.49178 -82.78627 4.70551 2.53440 -83.45397 1012.84865
|
|
7535.0000 -87.82364 -83.05505 4.76860 2.57818 -82.95910 1008.41851
|
|
7540.0000 -86.93250 -81.92277 5.00973 2.63364 -82.33233 1073.68521
|
|
7545.0000 -87.06124 -81.41923 5.64201 2.70585 -81.51608 1196.46646
|
|
7550.0000 -87.06175 -81.20611 5.85564 2.66784 -81.94573 1124.71946
|
|
7555.0000 -87.50633 -81.56554 5.94079 2.69539 -81.63429 1162.70570
|
|
7560.0000 -87.94630 -81.97143 5.97487 2.69507 -81.63799 1143.46339
|
|
7565.0000 -87.41567 -82.70977 4.70590 2.65888 -82.04695 1113.87553
|
|
7570.0000 -87.36972 -81.90091 5.46881 2.65464 -82.09492 1148.75973
|
|
7575.0000 -87.83428 -82.03615 5.79814 2.58507 -82.88123 1044.14970
|
|
7580.0000 -87.42583 -82.58172 4.84411 2.62367 -82.44495 1069.84766
|
|
7585.0000 -87.03806 -82.01461 5.02346 2.68287 -81.77585 1155.19399
|
|
7590.0000 -86.71629 -81.65212 5.06418 2.70652 -81.50853 1116.95640
|
|
7595.0000 -87.31519 -82.23539 5.07979 2.65401 -82.10208 1054.77934
|
|
7600.0000 -87.72085 -82.14047 5.58038 2.64888 -82.16003 1101.44249
|
|
7605.0000 -88.42762 -82.64747 5.78015 2.64160 -82.24231 1095.71702
|
|
7610.0000 -86.24425 -79.48004 6.76422 2.72003 -81.35586 1161.62327
|
|
7615.0000 -87.44245 -82.22323 5.21922 2.72604 -81.28785 1157.57980
|
|
7620.0000 -88.50237 -82.29743 6.20494 2.71652 -81.39546 1158.86634
|
|
7625.0000 -86.79612 -81.00868 5.78744 2.65715 -82.06656 1110.97082
|
|
7630.0000 -88.65480 -83.76687 4.88793 2.62372 -82.44445 1108.40195
|
|
7635.0000 -87.17867 -81.36335 5.81532 2.61201 -82.57682 1037.19332
|
|
7640.0000 -86.72224 -81.65547 5.06677 2.65061 -82.14053 1095.57042
|
|
7645.0000 -87.45184 -82.47356 4.97828 2.68738 -81.72483 1152.95461
|
|
7650.0000 -88.01667 -81.81990 6.19677 2.61697 -82.52067 1068.54049
|
|
7655.0000 -88.22583 -81.42975 6.79608 2.71037 -81.46500 1199.56253
|
|
7660.0000 -88.92356 -81.82690 7.09666 2.67860 -81.82414 1131.53838
|
|
7665.0000 -86.30824 -80.76842 5.53982 2.73180 -81.22284 1216.35247
|
|
7670.0000 -87.44066 -82.24168 5.19898 2.76306 -80.86947 1247.51831
|
|
7675.0000 -87.16247 -81.97718 5.18529 2.63524 -82.31426 1068.59575
|
|
7680.0000 -88.69912 -82.27284 6.42628 2.59389 -82.78163 1058.19530
|
|
7685.0000 -87.90667 -82.49659 5.41008 2.66958 -81.92607 1095.78413
|
|
7690.0000 -86.73051 -80.90278 5.82773 2.68827 -81.71477 1134.15264
|
|
7695.0000 -86.37782 -81.41367 4.96415 2.72885 -81.25618 1181.37983
|
|
7700.0000 -88.68475 -83.57430 5.11045 2.64707 -82.18046 1100.47682
|
|
7705.0000 -86.93901 -81.29523 5.64379 2.64534 -82.20004 1093.02567
|
|
7710.0000 -87.83914 -83.18887 4.65026 2.62090 -82.47634 1057.43449
|
|
7715.0000 -88.77695 -83.75401 5.02293 2.54725 -83.30874 1001.00901
|
|
7720.0000 -86.60311 -81.46196 5.14115 2.65311 -82.11222 1139.37515
|
|
7725.0000 -86.54640 -79.57162 6.97479 2.76473 -80.85059 1184.16704
|
|
7730.0000 -85.17463 -79.41592 5.75871 2.82917 -80.12226 1275.17831
|
|
7735.0000 -86.81838 -81.62459 5.19380 2.78395 -80.63335 1206.76089
|
|
7740.0000 -88.03935 -83.33830 4.70105 2.61337 -82.56141 1039.73121
|
|
7745.0000 -87.30060 -81.83637 5.46423 2.56335 -83.12682 1009.77419
|
|
7750.0000 -88.18486 -82.38790 5.79696 2.64093 -82.24987 1101.55683
|
|
MELTING PROCESS: loop number 32 T-loop= 1125.0000000000000
|
|
main_MD> interactions number 32 at Temperature= 1125.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.93813 -0.77975 -2.56956
|
|
force_rgl> df(natom) -0.63090 -3.69035 1.04049
|
|
7755.0000 -85.69242 -80.83073 4.86169 2.76253 -80.87542 1187.48899
|
|
7760.0000 -87.93128 -82.17968 5.75160 2.61623 -82.52910 1053.37729
|
|
7765.0000 -87.83586 -83.08994 4.74592 2.58863 -82.84100 1063.12976
|
|
7770.0000 -86.61205 -80.15955 6.45250 2.64967 -82.15115 1126.21136
|
|
7775.0000 -86.18595 -79.70792 6.47803 2.86664 -79.69866 1257.18834
|
|
7780.0000 -87.09966 -81.11837 5.98128 2.80285 -80.41971 1236.38590
|
|
7785.0000 -87.56823 -82.56466 5.00357 2.70833 -81.48809 1121.01302
|
|
7790.0000 -88.52068 -83.47908 5.04160 2.54258 -83.36150 1008.87528
|
|
7795.0000 -87.50791 -83.18673 4.32118 2.51504 -83.67281 1018.88108
|
|
7800.0000 -87.17579 -82.41433 4.76146 2.64643 -82.18771 1103.32962
|
|
7805.0000 -87.28622 -81.42720 5.85903 2.67981 -81.81039 1122.73599
|
|
7810.0000 -85.83429 -79.89342 5.94087 2.73259 -81.21388 1166.14326
|
|
7815.0000 -86.37216 -79.80829 6.56387 2.83256 -80.08387 1257.17336
|
|
7820.0000 -87.14917 -80.42621 6.72296 2.84231 -79.97373 1224.32410
|
|
7825.0000 -87.50794 -81.24240 6.26554 2.77037 -80.78687 1192.09071
|
|
7830.0000 -87.94088 -82.22719 5.71369 2.67541 -81.86018 1172.91047
|
|
7835.0000 -87.14346 -81.28584 5.85761 2.72861 -81.25888 1167.38445
|
|
7840.0000 -86.46438 -82.29158 4.17280 2.69447 -81.64471 1091.98552
|
|
7845.0000 -85.67484 -79.79157 5.88327 2.76351 -80.86438 1181.92608
|
|
7850.0000 -87.92203 -82.54812 5.37391 2.71770 -81.38217 1141.31562
|
|
7855.0000 -88.15481 -81.87438 6.28043 2.62726 -82.40444 1060.03421
|
|
7860.0000 -88.47014 -83.15012 5.32002 2.59625 -82.75495 1042.93666
|
|
7865.0000 -88.06717 -83.77062 4.29655 2.55039 -83.27331 1033.51912
|
|
7870.0000 -86.77180 -82.03121 4.74059 2.60694 -82.63410 1027.24484
|
|
7875.0000 -86.89746 -81.30678 5.59068 2.75236 -80.99042 1195.87826
|
|
7880.0000 -86.71281 -80.91205 5.80076 2.74633 -81.05854 1203.93355
|
|
7885.0000 -87.07662 -81.00587 6.07076 2.76421 -80.85648 1188.46959
|
|
7890.0000 -87.56582 -82.46814 5.09768 2.62917 -82.38284 1094.43593
|
|
7895.0000 -86.97044 -81.92743 5.04301 2.63312 -82.33815 1090.30187
|
|
7900.0000 -87.37158 -82.19313 5.17844 2.62269 -82.45610 1114.19215
|
|
7905.0000 -87.32993 -81.58555 5.74438 2.60297 -82.67896 1089.93731
|
|
7910.0000 -88.18955 -82.73633 5.45322 2.70509 -81.52474 1136.08131
|
|
7915.0000 -88.86555 -83.54622 5.31933 2.50691 -83.76468 1007.07888
|
|
7920.0000 -89.18338 -84.20975 4.97363 2.51794 -83.63998 1025.23370
|
|
7925.0000 -88.37976 -82.97736 5.40240 2.50836 -83.74836 955.95718
|
|
7930.0000 -86.96011 -80.95717 6.00294 2.63085 -82.36377 1099.59397
|
|
7935.0000 -87.20128 -81.60618 5.59511 2.74642 -81.05751 1106.26733
|
|
7940.0000 -88.07461 -82.48149 5.59312 2.65585 -82.08123 1091.68535
|
|
7945.0000 -87.57638 -82.26178 5.31460 2.55571 -83.21317 1080.12003
|
|
7950.0000 -88.15149 -82.53907 5.61241 2.68581 -81.74267 1114.22742
|
|
7955.0000 -87.69909 -83.22800 4.47109 2.60775 -82.62488 1036.09436
|
|
7960.0000 -87.47219 -83.14007 4.33211 2.56935 -83.05900 1038.55498
|
|
7965.0000 -87.77374 -82.73225 5.04149 2.54153 -83.37345 1044.47436
|
|
7970.0000 -87.62473 -82.35071 5.27403 2.62806 -82.39540 1115.61317
|
|
7975.0000 -89.04437 -82.92421 6.12016 2.66407 -81.98833 1147.38302
|
|
7980.0000 -87.69199 -81.87647 5.81552 2.61488 -82.54428 1067.63556
|
|
7985.0000 -86.43588 -81.07874 5.35714 2.75251 -80.98869 1146.85587
|
|
7990.0000 -87.47756 -80.38729 7.09027 2.75425 -80.96904 1158.68899
|
|
7995.0000 -87.49839 -83.31373 4.18466 2.76533 -80.84383 1185.51967
|
|
8000.0000 -89.01122 -83.56048 5.45074 2.54094 -83.38004 1046.35583
|
|
MELTING PROCESS: loop number 33 T-loop= 1150.0000000000000
|
|
main_MD> interactions number 33 at Temperature= 1150.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.09083 -3.09269 0.90338
|
|
force_rgl> df(natom) 0.64482 -1.37933 0.11896
|
|
8005.0000 -87.76441 -82.59625 5.16816 2.57660 -82.97698 1033.50299
|
|
8010.0000 -86.11441 -80.82801 5.28641 2.67838 -81.82660 1131.34036
|
|
8015.0000 -87.62515 -81.44391 6.18124 2.70648 -81.50904 1170.19126
|
|
8020.0000 -87.70076 -82.47549 5.22527 2.64058 -82.25385 1037.83824
|
|
8025.0000 -87.85226 -82.75563 5.09662 2.57867 -82.95355 1050.91305
|
|
8030.0000 -86.76812 -80.99978 5.76834 2.73165 -81.22448 1183.53383
|
|
8035.0000 -85.66055 -80.73412 4.92643 2.77974 -80.68091 1193.08349
|
|
8040.0000 -85.20624 -80.63954 4.56670 2.84922 -79.89559 1241.56679
|
|
8045.0000 -86.78491 -81.34642 5.43849 2.67168 -81.90227 1086.08250
|
|
8050.0000 -87.57566 -81.75818 5.81748 2.69448 -81.64465 1170.54448
|
|
8055.0000 -88.37923 -82.12777 6.25146 2.70339 -81.54390 1194.46358
|
|
8060.0000 -86.76591 -81.03883 5.72707 2.62134 -82.47130 1087.99571
|
|
8065.0000 -86.18304 -80.23197 5.95107 2.68642 -81.73568 1112.79374
|
|
8070.0000 -86.30973 -80.73739 5.57234 2.83805 -80.02182 1165.94354
|
|
8075.0000 -86.14657 -80.13348 6.01309 2.77470 -80.73785 1162.77738
|
|
8080.0000 -87.60243 -80.18814 7.41428 2.80374 -80.40962 1262.84900
|
|
8085.0000 -86.44294 -81.05354 5.38940 2.76996 -80.79142 1197.69615
|
|
8090.0000 -86.56412 -80.91608 5.64805 2.75579 -80.95162 1210.00977
|
|
8095.0000 -86.48129 -80.67413 5.80715 2.75427 -80.96882 1188.45592
|
|
8100.0000 -87.32646 -80.99120 6.33527 2.76012 -80.90269 1199.79458
|
|
8105.0000 -86.29294 -81.90374 4.38920 2.78354 -80.63798 1243.39551
|
|
8110.0000 -87.46573 -81.31977 6.14596 2.66738 -81.95092 1084.49330
|
|
8115.0000 -87.66849 -82.40856 5.25993 2.70887 -81.48193 1088.02015
|
|
8120.0000 -87.54707 -82.91837 4.62871 2.59941 -82.71917 1081.42410
|
|
8125.0000 -88.27918 -82.65926 5.61992 2.55750 -83.19288 1071.42633
|
|
8130.0000 -87.20505 -81.42946 5.77559 2.67000 -81.92128 1083.04370
|
|
8135.0000 -86.95935 -81.67160 5.28776 2.71030 -81.46576 1138.06874
|
|
8140.0000 -87.72902 -81.98215 5.74688 2.66232 -82.00809 1094.15752
|
|
8145.0000 -87.18044 -81.76228 5.41816 2.66220 -82.00953 1127.26899
|
|
8150.0000 -86.72608 -81.55922 5.16687 2.67134 -81.90615 1092.51198
|
|
8155.0000 -88.73188 -84.38499 4.34689 2.56049 -83.15913 1015.14855
|
|
8160.0000 -88.22910 -83.99201 4.23709 2.54761 -83.30468 987.82938
|
|
8165.0000 -87.41631 -82.60135 4.81496 2.57395 -83.00696 1008.49892
|
|
8170.0000 -88.77787 -82.33042 6.44745 2.59746 -82.74125 1022.71217
|
|
8175.0000 -85.38176 -79.74334 5.63842 2.74965 -81.02102 1207.87823
|
|
8180.0000 -85.04620 -80.15174 4.89447 2.78638 -80.60587 1177.87533
|
|
8185.0000 -86.24285 -80.74478 5.49807 2.85846 -79.79112 1220.64293
|
|
8190.0000 -87.34559 -82.44385 4.90173 2.71307 -81.43448 1159.50675
|
|
8195.0000 -86.59225 -80.08685 6.50541 2.76487 -80.84905 1148.35128
|
|
8200.0000 -86.00061 -81.16359 4.83701 2.80383 -80.40863 1152.20040
|
|
8205.0000 -86.87650 -80.83343 6.04307 2.75157 -80.99928 1202.72339
|
|
8210.0000 -86.63066 -82.12416 4.50651 2.70432 -81.53342 1129.01921
|
|
8215.0000 -87.59829 -82.56192 5.03638 2.61243 -82.57204 1050.47269
|
|
8220.0000 -88.85765 -84.21531 4.64234 2.59516 -82.76719 1008.23971
|
|
8225.0000 -88.13900 -84.02229 4.11671 2.50395 -83.79821 991.71337
|
|
8230.0000 -88.79919 -82.63444 6.16475 2.57830 -82.95776 1027.55854
|
|
8235.0000 -86.06241 -81.40295 4.65946 2.75385 -80.97362 1188.33795
|
|
8240.0000 -88.32480 -83.20572 5.11908 2.60531 -82.65251 1045.33694
|
|
8245.0000 -87.97803 -82.28703 5.69100 2.60887 -82.61224 1096.62532
|
|
8250.0000 -86.05557 -79.83600 6.21957 2.69051 -81.68945 1078.28800
|
|
MELTING PROCESS: loop number 34 T-loop= 1175.0000000000000
|
|
main_MD> interactions number 34 at Temperature= 1175.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.10030 -1.11765 -1.03606
|
|
force_rgl> df(natom) -2.55940 -1.53446 0.68282
|
|
8255.0000 -88.00119 -83.09614 4.90504 2.67881 -81.82173 1077.82314
|
|
8260.0000 -88.04469 -83.64168 4.40302 2.59300 -82.79160 1068.90123
|
|
8265.0000 -87.69111 -81.83919 5.85192 2.55293 -83.24453 1009.08191
|
|
8270.0000 -86.11927 -78.63116 7.48811 2.82445 -80.17556 1268.15973
|
|
8275.0000 -86.16805 -80.71757 5.45048 2.84353 -79.95989 1277.21013
|
|
8280.0000 -86.81601 -81.33255 5.48345 2.73462 -81.19098 1180.86989
|
|
8285.0000 -87.00976 -81.59695 5.41280 2.68564 -81.74459 1141.40759
|
|
8290.0000 -86.34656 -80.11472 6.23184 2.73066 -81.23574 1183.30190
|
|
8295.0000 -86.54122 -80.94825 5.59297 2.80620 -80.38183 1224.22377
|
|
8300.0000 -86.48236 -81.04296 5.43941 2.74124 -81.11611 1160.95961
|
|
8305.0000 -85.82493 -78.62056 7.20438 2.86600 -79.70598 1258.37520
|
|
8310.0000 -86.55184 -80.03995 6.51189 2.89060 -79.42789 1303.42832
|
|
8315.0000 -86.41399 -81.12142 5.29257 2.80487 -80.39690 1230.92149
|
|
8320.0000 -88.13568 -82.14292 5.99276 2.68408 -81.76221 1152.26029
|
|
8325.0000 -86.49077 -79.93294 6.55783 2.76164 -80.88547 1200.68795
|
|
8330.0000 -85.10746 -80.24190 4.86557 2.85245 -79.85913 1258.31082
|
|
8335.0000 -88.38124 -83.44602 4.93522 2.67088 -81.91136 1091.98442
|
|
8340.0000 -87.71317 -83.04207 4.67110 2.49659 -83.88139 986.54057
|
|
8345.0000 -87.26463 -82.82802 4.43661 2.55024 -83.27499 1010.46666
|
|
8350.0000 -85.77006 -80.02361 5.74646 2.72433 -81.30718 1168.41174
|
|
8355.0000 -86.40639 -80.01748 6.38891 2.86433 -79.72479 1263.49138
|
|
8360.0000 -86.79482 -81.31944 5.47539 2.69339 -81.65692 1132.27555
|
|
8365.0000 -87.42861 -81.40735 6.02126 2.77193 -80.76919 1241.76474
|
|
8370.0000 -87.15100 -81.14058 6.01041 2.71898 -81.36766 1159.00779
|
|
8375.0000 -86.10936 -80.32338 5.78598 2.69765 -81.60880 1145.71430
|
|
8380.0000 -86.37421 -80.51525 5.85895 2.71711 -81.38883 1153.43398
|
|
8385.0000 -87.29014 -82.03711 5.25303 2.69734 -81.61233 1069.21954
|
|
8390.0000 -87.70847 -82.62916 5.07932 2.65807 -82.05620 1106.62212
|
|
8395.0000 -87.87847 -82.20879 5.66968 2.56873 -83.06601 1053.21010
|
|
8400.0000 -87.43671 -81.59179 5.84492 2.65903 -82.04528 1154.48819
|
|
8405.0000 -87.00926 -81.62399 5.38527 2.66201 -82.01158 1119.01097
|
|
8410.0000 -86.82063 -81.45483 5.36580 2.71996 -81.35665 1126.45001
|
|
8415.0000 -88.83588 -82.63394 6.20195 2.66683 -81.95719 1078.90108
|
|
8420.0000 -88.58748 -82.42384 6.16365 2.60699 -82.63355 1063.31970
|
|
8425.0000 -84.54578 -78.37839 6.16739 2.82201 -80.20319 1237.54723
|
|
8430.0000 -85.86396 -78.72231 7.14165 2.95114 -78.74361 1333.75697
|
|
8435.0000 -86.80528 -81.59380 5.21148 2.81717 -80.25788 1204.50778
|
|
8440.0000 -85.95599 -79.34997 6.60602 2.76918 -80.80033 1221.43781
|
|
8445.0000 -87.76355 -82.63430 5.12924 2.75052 -81.01122 1192.56423
|
|
8450.0000 -88.57772 -83.14969 5.42803 2.56391 -83.12047 1040.52044
|
|
8455.0000 -86.53085 -80.65352 5.87733 2.65005 -82.14686 1075.97054
|
|
8460.0000 -85.53503 -80.80664 4.72839 2.74248 -81.10212 1189.98846
|
|
8465.0000 -87.33943 -80.84385 6.49558 2.81263 -80.30917 1174.21084
|
|
8470.0000 -87.70482 -81.78491 5.91990 2.62228 -82.46068 1089.72680
|
|
8475.0000 -87.66883 -83.69932 3.96951 2.60326 -82.67571 1058.13396
|
|
8480.0000 -87.90068 -82.43266 5.46802 2.49672 -83.87986 993.61749
|
|
8485.0000 -87.89627 -82.45776 5.43851 2.66697 -81.95561 1123.89743
|
|
8490.0000 -87.80171 -82.37689 5.42482 2.63371 -82.33144 1092.24966
|
|
8495.0000 -86.91799 -80.20814 6.70985 2.77862 -80.69355 1235.81228
|
|
8500.0000 -86.26057 -82.09412 4.16645 2.74218 -81.10543 1199.67114
|
|
MELTING PROCESS: loop number 35 T-loop= 1200.0000000000000
|
|
main_MD> interactions number 35 at Temperature= 1200.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.22581 -0.29599 4.23626
|
|
force_rgl> df(natom) 0.72862 4.24317 -0.49129
|
|
8505.0000 -85.77631 -79.90200 5.87431 2.75537 -80.95637 1183.55366
|
|
8510.0000 -85.91029 -80.54259 5.36770 2.85080 -79.87772 1275.33926
|
|
8515.0000 -88.42261 -83.37216 5.05045 2.77162 -80.77276 1182.53295
|
|
8520.0000 -86.84197 -81.37241 5.46956 2.61158 -82.58167 1091.29055
|
|
8525.0000 -87.07842 -81.21002 5.86839 2.80733 -80.36910 1281.62513
|
|
8530.0000 -87.83651 -81.51042 6.32609 2.69863 -81.59767 1181.57515
|
|
8535.0000 -85.72382 -79.89368 5.83014 2.77595 -80.72375 1231.09282
|
|
8540.0000 -85.75310 -80.35121 5.40189 2.86516 -79.71546 1263.92182
|
|
8545.0000 -88.45248 -81.13060 7.32187 2.81883 -80.23916 1255.30651
|
|
8550.0000 -87.77163 -81.81224 5.95939 2.67080 -81.91225 1103.19472
|
|
8555.0000 -88.17133 -83.78622 4.38511 2.58578 -82.87328 1019.69887
|
|
8560.0000 -88.48531 -83.57472 4.91059 2.60202 -82.68970 1031.23193
|
|
8565.0000 -87.51742 -81.32323 6.19419 2.63788 -82.28433 1134.65159
|
|
8570.0000 -85.36945 -80.57814 4.79131 2.74002 -81.12994 1169.07292
|
|
8575.0000 -87.54889 -81.31990 6.22899 2.77096 -80.78016 1179.72143
|
|
8580.0000 -85.37310 -79.29996 6.07314 2.86264 -79.74395 1268.59990
|
|
8585.0000 -85.13923 -78.90937 6.22986 2.97150 -78.51353 1348.82603
|
|
8590.0000 -84.84051 -78.32491 6.51560 2.97700 -78.45131 1373.33473
|
|
8595.0000 -85.46534 -79.83555 5.62980 2.94494 -78.81368 1316.10634
|
|
8600.0000 -86.47591 -79.15704 7.31886 2.86933 -79.66832 1316.95903
|
|
8605.0000 -85.41166 -80.29171 5.11995 2.84756 -79.91442 1290.39396
|
|
8610.0000 -85.65936 -79.61551 6.04385 2.81899 -80.23724 1232.61304
|
|
8615.0000 -86.46898 -79.02524 7.44374 2.87721 -79.57923 1285.14753
|
|
8620.0000 -86.43635 -80.92445 5.51190 2.86487 -79.71875 1288.08263
|
|
8625.0000 -88.29484 -82.03052 6.26432 2.77963 -80.68222 1222.94853
|
|
8630.0000 -85.85183 -79.56198 6.28985 2.65356 -82.10708 1103.02845
|
|
8635.0000 -85.40230 -79.88578 5.51652 2.83492 -80.05725 1258.75475
|
|
8640.0000 -86.13113 -80.50439 5.62673 2.79759 -80.47915 1230.90493
|
|
8645.0000 -85.49592 -78.61458 6.88134 2.89434 -79.38560 1239.74011
|
|
8650.0000 -85.21106 -78.21330 6.99775 2.93918 -78.87877 1368.04608
|
|
8655.0000 -85.54936 -79.75174 5.79762 2.91059 -79.20195 1320.27958
|
|
8660.0000 -86.07286 -79.55971 6.51315 2.83002 -80.11267 1232.01854
|
|
8665.0000 -87.88729 -81.45505 6.43224 2.82935 -80.12019 1262.38216
|
|
8670.0000 -85.59803 -79.48520 6.11283 2.75012 -81.01575 1171.75011
|
|
8675.0000 -86.42794 -81.20517 5.22277 2.79061 -80.55808 1230.93506
|
|
8680.0000 -86.56303 -81.82610 4.73693 2.71575 -81.40423 1165.04428
|
|
8685.0000 -86.77004 -81.79595 4.97409 2.70031 -81.57876 1159.53668
|
|
8690.0000 -87.29509 -81.75778 5.53731 2.65706 -82.06760 1128.08248
|
|
8695.0000 -87.19143 -81.88357 5.30785 2.71810 -81.37769 1201.81522
|
|
8700.0000 -87.05369 -80.27079 6.78291 2.71205 -81.44602 1132.58570
|
|
8705.0000 -86.91058 -81.41420 5.49638 2.72841 -81.26107 1155.31273
|
|
8710.0000 -85.88251 -80.02381 5.85870 2.85667 -79.81144 1297.58186
|
|
8715.0000 -84.63965 -76.96853 7.67112 2.91638 -79.13650 1343.12319
|
|
8720.0000 -86.81863 -78.40096 8.41767 2.97519 -78.47176 1357.02294
|
|
8725.0000 -85.68449 -79.80122 5.88327 2.93982 -78.87160 1300.17613
|
|
8730.0000 -87.08483 -80.75634 6.32848 2.84628 -79.92882 1259.25532
|
|
8735.0000 -87.19329 -80.58032 6.61298 2.87477 -79.60682 1337.08936
|
|
8740.0000 -86.22985 -81.70543 4.52442 2.81948 -80.23172 1210.69002
|
|
8745.0000 -86.80426 -81.60943 5.19484 2.82017 -80.22395 1269.99698
|
|
8750.0000 -87.12362 -81.02757 6.09605 2.68380 -81.76535 1140.16408
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 7 [min], 11.7560012 [s].
|
|
main_MD> Deallocating global variables
|