549 lines
53 KiB
Plaintext
549 lines
53 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 100.00000000000000 [K] and a rate of 3.9999999999999997E+023 [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_67.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 = 67 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: 450
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main_MD> Size of nv and nvoiz: 67 6700
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main_MD> Size of nv and nvoiz: 67 6700
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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 = 67
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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> 4.1111954140767605E-002 3.2943984947152991E-002 8.7695215531945966E-003 initial drift of cluster / NP1 for coalescence
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init> 0.32844871692458294 0.35392681991473340 0.29131781613734065 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.8502944150906549E-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) -1.86065 2.73900 0.16980
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force_rgl> df(natom) -1.89530 -0.77395 -0.43176
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preparo> THERMALIZATION PROCESS AT 296.94226103833597
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -168.45464992342463 2.7863714611881627 -171.24102138461279 3.7692995985848281E-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 9
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MELTING PROCESS: loop number 1 T-loop= 397.00000000000000
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main_MD> interactions number 1 at Temperature= 397.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.90387 -1.68326 -1.73205
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force_rgl> df(natom) -1.68010 -1.05078 -0.39098
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5.0000 -170.59040 -167.61544 2.97496 1.81118 -167.77242 365.20269
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10.0000 -170.50566 -167.28827 3.21739 1.85274 -167.08689 395.58218
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15.0000 -170.61449 -167.41384 3.20065 1.83972 -167.30164 384.25535
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20.0000 -170.79361 -167.52781 3.26580 1.82998 -167.46233 372.56948
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25.0000 -170.82216 -167.36786 3.45429 1.80586 -167.86014 357.23662
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30.0000 -171.09752 -167.63276 3.46476 1.84364 -167.23700 384.73599
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35.0000 -171.30735 -167.84140 3.46596 1.83185 -167.43152 376.11692
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40.0000 -170.85569 -167.63101 3.22468 1.81866 -167.64900 368.02750
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45.0000 -170.74083 -167.06727 3.67356 1.84309 -167.24600 393.60845
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50.0000 -170.23793 -166.75381 3.48412 1.84979 -167.13562 391.78226
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55.0000 -170.29249 -167.13867 3.15381 1.87140 -166.77902 406.80983
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60.0000 -170.55805 -167.19491 3.36313 1.86635 -166.86237 397.48787
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65.0000 -170.78793 -167.77106 3.01687 1.82234 -167.58830 372.11346
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70.0000 -171.15337 -167.96665 3.18672 1.79552 -168.03073 346.79292
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75.0000 -170.61542 -167.20103 3.41439 1.83301 -167.41239 382.53781
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80.0000 -171.19385 -167.71359 3.48026 1.84409 -167.22964 390.10560
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85.0000 -170.17095 -166.88194 3.28900 1.84094 -167.28161 386.09228
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90.0000 -170.91952 -167.06503 3.85449 1.86934 -166.81298 412.69168
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95.0000 -170.98728 -167.78615 3.20113 1.84451 -167.22272 389.38171
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100.0000 -170.89852 -167.64162 3.25690 1.81919 -167.64026 364.41484
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105.0000 -170.10324 -166.26408 3.83916 1.86958 -166.80905 414.33075
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110.0000 -170.09320 -166.41557 3.67764 1.91230 -166.10440 422.46775
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115.0000 -169.92899 -167.06364 2.86535 1.90065 -166.29648 416.63070
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120.0000 -170.03449 -167.19330 2.84119 1.86250 -166.92586 388.85255
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125.0000 -169.56904 -166.26712 3.30193 1.90208 -166.27297 408.93090
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130.0000 -170.35584 -166.63279 3.72305 1.90944 -166.15158 415.21985
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135.0000 -169.50899 -165.99640 3.51259 1.89744 -166.34943 410.51541
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140.0000 -169.52390 -166.72629 2.79760 1.92487 -165.89707 435.01376
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145.0000 -170.02304 -166.46179 3.56126 1.87310 -166.75106 390.79409
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150.0000 -169.01025 -165.80244 3.20782 1.89946 -166.31624 407.19041
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155.0000 -169.81840 -166.60765 3.21075 1.91053 -166.13359 418.00672
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160.0000 -169.55462 -166.32344 3.23118 1.88915 -166.48628 396.29626
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165.0000 -169.96305 -166.14363 3.81942 1.91633 -166.03781 426.75915
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170.0000 -169.85050 -166.17982 3.67068 1.88803 -166.50470 404.09332
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175.0000 -170.15506 -166.83538 3.31968 1.90293 -166.25892 408.94316
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180.0000 -170.54786 -166.62784 3.92003 1.85849 -166.99206 374.80808
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185.0000 -170.22523 -167.01962 3.20561 1.87480 -166.72296 394.37563
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190.0000 -169.94699 -166.54287 3.40412 1.87738 -166.68049 387.94199
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195.0000 -170.04547 -166.68005 3.36542 1.87317 -166.74987 384.15746
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200.0000 -170.83711 -166.80357 4.03354 1.87342 -166.74572 392.13261
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205.0000 -169.93808 -166.53894 3.39914 1.87451 -166.72771 394.65492
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210.0000 -169.84820 -166.80274 3.04545 1.87802 -166.66987 403.45485
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215.0000 -170.31281 -167.24384 3.06897 1.86912 -166.81662 401.04436
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220.0000 -170.03242 -166.47354 3.55888 1.85131 -167.11040 382.80213
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225.0000 -170.32833 -167.24142 3.08690 1.85906 -166.98270 385.83750
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230.0000 -169.83556 -166.66274 3.17282 1.85943 -166.97651 383.91719
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235.0000 -170.32761 -167.19582 3.13178 1.85595 -167.03399 380.22219
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240.0000 -170.57802 -167.32345 3.25457 1.84599 -167.19826 378.02522
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245.0000 -170.47768 -166.88635 3.59134 1.83648 -167.35514 367.95740
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250.0000 -169.79823 -166.51906 3.27917 1.87321 -166.74914 397.67257
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MELTING PROCESS: loop number 2 T-loop= 497.00000000000000
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main_MD> interactions number 2 at Temperature= 497.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.89866 -1.32040 -0.75552
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force_rgl> df(natom) 3.93429 1.02879 1.02560
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255.0000 -169.01116 -164.52420 4.48696 1.93517 -165.72709 454.93057
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260.0000 -169.50734 -165.12296 4.38438 2.00334 -164.60253 500.66734
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265.0000 -168.29238 -164.08976 4.20262 1.99440 -164.75008 461.56418
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270.0000 -167.88244 -162.95827 4.92418 2.06383 -163.60473 520.85598
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275.0000 -169.77662 -165.59410 4.18252 2.03392 -164.09813 499.45488
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280.0000 -169.62063 -165.48969 4.13094 1.96084 -165.30370 444.14422
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285.0000 -169.84176 -165.43742 4.40434 1.94698 -165.53223 448.64494
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290.0000 -169.51596 -165.07163 4.44432 1.98644 -164.88127 481.96982
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295.0000 -168.77039 -164.13025 4.64014 2.00431 -164.58659 490.48631
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300.0000 -168.28102 -163.81298 4.46804 2.05150 -163.80818 516.72048
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305.0000 -168.53843 -164.16868 4.36974 2.06196 -163.63547 539.21921
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310.0000 -168.29033 -163.88304 4.40729 2.04666 -163.88795 496.75217
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315.0000 -168.79177 -164.79554 3.99623 2.01023 -164.48885 483.01440
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320.0000 -167.50802 -163.24189 4.26613 2.04170 -163.96982 499.50322
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325.0000 -167.76437 -163.01053 4.75384 2.07125 -163.48231 489.88351
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330.0000 -168.06643 -162.95478 5.11164 2.12158 -162.65208 549.67277
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335.0000 -168.54126 -164.44576 4.09550 2.04231 -163.95963 486.44701
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340.0000 -167.38679 -163.60445 3.78233 2.04294 -163.94925 501.17945
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345.0000 -167.80041 -163.62604 4.17437 2.04814 -163.86358 504.00767
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350.0000 -167.37713 -163.29515 4.08198 2.04624 -163.89491 491.20479
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355.0000 -167.98732 -163.38631 4.60101 2.11160 -162.81661 525.30224
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360.0000 -167.35253 -162.73786 4.61467 2.08331 -163.28343 497.96378
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365.0000 -167.35598 -162.49040 4.86557 2.16125 -161.99770 557.42896
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370.0000 -167.86680 -162.87945 4.98735 2.12410 -162.61046 559.40011
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375.0000 -167.63464 -163.06630 4.56834 2.09076 -163.16044 535.75101
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380.0000 -168.63530 -163.41275 5.22255 2.09782 -163.04393 536.51029
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385.0000 -168.65658 -164.06489 4.59169 2.07541 -163.41369 523.83907
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390.0000 -168.51989 -163.40901 5.11088 2.04784 -163.86849 510.14887
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395.0000 -168.29067 -163.70345 4.58721 2.06173 -163.63928 548.89368
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400.0000 -168.35204 -163.81546 4.53658 2.04993 -163.83394 553.60738
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405.0000 -168.00509 -163.76711 4.23798 2.03239 -164.12333 550.82219
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410.0000 -168.92764 -164.04833 4.87931 2.03584 -164.06637 548.65143
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415.0000 -168.95015 -165.30338 3.64677 2.01640 -164.38706 529.61562
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420.0000 -170.11854 -166.07470 4.04385 1.92422 -165.90778 451.40167
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425.0000 -170.63348 -166.23500 4.39848 1.92622 -165.87477 462.55645
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430.0000 -169.34024 -164.82692 4.51332 1.96062 -165.30731 489.60362
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435.0000 -168.68655 -164.21742 4.46913 1.99309 -164.77165 505.93636
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440.0000 -168.80508 -164.11644 4.68864 2.01060 -164.48282 514.60120
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445.0000 -168.65354 -163.75419 4.89936 2.04359 -163.93857 532.16793
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450.0000 -168.40226 -163.64551 4.75676 2.06464 -163.59134 537.87578
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455.0000 -169.45454 -164.57992 4.87462 2.05453 -163.75808 526.56178
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460.0000 -169.84315 -164.96274 4.88041 1.98979 -164.82616 484.25640
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465.0000 -168.63512 -164.14302 4.49211 2.02666 -164.21791 507.49412
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470.0000 -168.45215 -163.34003 5.11212 2.05972 -163.67252 533.61289
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475.0000 -168.30923 -163.47820 4.83103 2.07892 -163.35578 536.21985
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480.0000 -167.11471 -162.85990 4.25481 2.09853 -163.03221 556.82817
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485.0000 -167.41575 -163.29815 4.11759 2.11701 -162.72750 544.47065
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490.0000 -167.88180 -163.43040 4.45139 2.10172 -162.97959 545.89426
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495.0000 -167.85703 -163.32805 4.52898 2.07930 -163.34945 535.74722
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500.0000 -168.95932 -163.69022 5.26910 2.05924 -163.68050 529.61692
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MELTING PROCESS: loop number 3 T-loop= 597.00000000000000
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main_MD> interactions number 3 at Temperature= 597.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.78949 0.42377 -3.95299
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force_rgl> df(natom) 1.27382 2.88551 0.74492
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505.0000 -165.09122 -159.99582 5.09540 2.15175 -162.15438 578.90914
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510.0000 -166.55834 -160.95007 5.60827 2.26930 -160.21528 629.05078
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515.0000 -166.63695 -161.91105 4.72590 2.19219 -161.48733 576.26050
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520.0000 -166.55697 -161.46796 5.08901 2.18712 -161.57090 588.68002
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525.0000 -167.19412 -161.61361 5.58051 2.18566 -161.59505 598.31257
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530.0000 -167.19679 -162.01548 5.18132 2.16139 -161.99531 565.20785
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535.0000 -166.81613 -161.66652 5.14961 2.16243 -161.97826 549.03483
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540.0000 -166.54886 -162.36700 4.18186 2.17337 -161.79777 560.18516
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545.0000 -166.28433 -160.87734 5.40699 2.18581 -161.59258 572.50626
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550.0000 -166.98427 -162.14929 4.83497 2.21715 -161.07549 618.03058
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555.0000 -166.84762 -162.77333 4.07429 2.14450 -162.27398 577.26514
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560.0000 -166.39391 -162.06143 4.33248 2.14033 -162.34268 543.78162
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565.0000 -167.02520 -161.99134 5.03385 2.18349 -161.63084 594.98368
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570.0000 -166.49191 -161.89772 4.59419 2.19846 -161.38390 586.05368
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575.0000 -166.63090 -160.62019 6.01071 2.21521 -161.10746 629.59343
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580.0000 -165.53872 -160.89083 4.64788 2.25974 -160.37294 650.34416
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585.0000 -166.82233 -161.83883 4.98349 2.16276 -161.97279 550.90059
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590.0000 -166.85293 -162.49287 4.36007 2.15166 -162.15583 563.36230
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595.0000 -167.70457 -162.50834 5.19624 2.12494 -162.59668 557.84029
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600.0000 -167.24731 -160.92989 6.31742 2.16329 -161.96398 577.53254
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605.0000 -166.68822 -162.07580 4.61242 2.20041 -161.35168 599.96733
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610.0000 -167.59611 -162.11696 5.47915 2.16878 -161.87348 578.72217
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615.0000 -166.82292 -161.93001 4.89291 2.16926 -161.86556 592.26738
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620.0000 -167.27637 -162.33142 4.94495 2.15778 -162.05490 566.73981
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625.0000 -167.22285 -161.45169 5.77115 2.15728 -162.06320 591.90608
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630.0000 -166.87347 -161.35612 5.51735 2.22791 -160.89802 635.99390
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635.0000 -166.34254 -161.08282 5.25972 2.20127 -161.33742 602.25961
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640.0000 -166.81399 -162.08418 4.72981 2.18853 -161.54763 586.49532
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645.0000 -166.98277 -160.56674 6.41603 2.20915 -161.20750 651.91464
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650.0000 -165.52995 -159.62556 5.90439 2.24696 -160.58371 635.87666
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655.0000 -165.66769 -160.12204 5.54565 2.28141 -160.01539 654.68273
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660.0000 -166.50380 -161.11224 5.39156 2.22142 -161.00504 574.40746
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665.0000 -166.01509 -161.60486 4.41024 2.22162 -161.00185 618.84228
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670.0000 -166.43145 -162.18283 4.24862 2.16201 -161.98516 572.72439
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675.0000 -166.85704 -161.95280 4.90424 2.12876 -162.53367 535.37472
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680.0000 -166.41339 -162.09223 4.32116 2.17993 -161.68953 582.64178
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685.0000 -166.08680 -160.17223 5.91458 2.22101 -161.01180 612.69328
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690.0000 -166.43616 -160.71179 5.72437 2.23981 -160.70176 620.11572
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695.0000 -166.22229 -161.31922 4.90307 2.21304 -161.14326 607.31852
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700.0000 -166.52150 -161.97218 4.54932 2.17969 -161.69348 573.72275
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705.0000 -166.25525 -160.71742 5.53783 2.21818 -161.05854 593.50614
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710.0000 -166.55496 -161.22807 5.32690 2.20351 -161.30058 626.14218
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715.0000 -166.57258 -161.25523 5.31735 2.18900 -161.53991 582.80581
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720.0000 -165.02806 -159.91779 5.11027 2.22967 -160.86902 613.28717
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725.0000 -166.34141 -160.81817 5.52323 2.25567 -160.44007 621.96487
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730.0000 -166.34529 -161.07716 5.26813 2.22521 -160.94253 614.75971
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735.0000 -166.19285 -159.99765 6.19520 2.24105 -160.68120 617.63239
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740.0000 -165.50546 -161.08998 4.41549 2.29422 -159.80414 671.60879
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745.0000 -166.70111 -161.43982 5.26129 2.21112 -161.17505 586.47852
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750.0000 -166.07902 -159.99124 6.08778 2.27170 -160.17560 659.09091
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MELTING PROCESS: loop number 4 T-loop= 697.00000000000000
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main_MD> interactions number 4 at Temperature= 697.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.95350 0.45291 -0.44647
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force_rgl> df(natom) -2.97998 -1.89986 0.72278
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755.0000 -164.64563 -158.59884 6.04678 2.33132 -159.19210 714.54591
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760.0000 -165.20696 -158.89046 6.31650 2.35111 -158.86569 698.92073
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765.0000 -165.65077 -159.83887 5.81190 2.34145 -159.02511 672.37797
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770.0000 -165.10102 -159.55027 5.55074 2.33719 -159.09531 679.21493
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775.0000 -165.74203 -160.44200 5.30003 2.30516 -159.62376 679.14500
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780.0000 -165.54596 -160.03678 5.50918 2.23507 -160.77987 613.20626
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785.0000 -164.99185 -159.62325 5.36859 2.27854 -160.06288 654.83560
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790.0000 -165.19667 -158.57930 6.61737 2.36611 -158.61827 706.50975
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795.0000 -165.25385 -158.62169 6.63216 2.34982 -158.88691 685.24619
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800.0000 -164.63341 -158.07613 6.55728 2.35871 -158.74033 677.56066
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805.0000 -164.37211 -159.02838 5.34373 2.34309 -158.99799 702.94578
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810.0000 -165.36430 -159.72030 5.64400 2.31952 -159.38672 675.50932
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815.0000 -165.47020 -159.38448 6.08573 2.29297 -159.82472 670.36060
|
|
820.0000 -166.07111 -159.66527 6.40584 2.32033 -159.37343 684.42543
|
|
825.0000 -164.66855 -158.33237 6.33618 2.34091 -159.03394 705.50868
|
|
830.0000 -164.60054 -158.56118 6.03936 2.39587 -158.12738 723.64975
|
|
835.0000 -164.28455 -159.07024 5.21431 2.35880 -158.73887 713.51922
|
|
840.0000 -165.56212 -160.05895 5.50317 2.32461 -159.30281 683.96317
|
|
845.0000 -166.03287 -160.84268 5.19020 2.26369 -160.30785 655.70009
|
|
850.0000 -165.76078 -159.93577 5.82501 2.28426 -159.96844 671.83962
|
|
855.0000 -164.54987 -159.80831 4.74156 2.27933 -160.04978 637.58545
|
|
860.0000 -165.08227 -159.93010 5.15217 2.30735 -159.58752 666.27769
|
|
865.0000 -165.02565 -159.22046 5.80519 2.31146 -159.51974 689.37746
|
|
870.0000 -164.63523 -158.70592 5.92930 2.33554 -159.12248 687.93319
|
|
875.0000 -164.21942 -157.97137 6.24805 2.39149 -158.19955 723.20266
|
|
880.0000 -164.10367 -157.05627 7.04739 2.42603 -157.62972 737.09183
|
|
885.0000 -163.06596 -157.24673 5.81923 2.47321 -156.85148 797.71726
|
|
890.0000 -163.96006 -158.53810 5.42196 2.41621 -157.79173 742.68626
|
|
895.0000 -165.80444 -160.17032 5.63412 2.33989 -159.05082 686.98290
|
|
900.0000 -165.13547 -159.58814 5.54733 2.30151 -159.68385 670.01279
|
|
905.0000 -165.07629 -158.78626 6.29003 2.32418 -159.31000 704.62874
|
|
910.0000 -164.81602 -157.39771 7.41831 2.40737 -157.93763 759.57844
|
|
915.0000 -163.69559 -156.88251 6.81308 2.44428 -157.32877 779.54380
|
|
920.0000 -164.06480 -157.35792 6.70688 2.42985 -157.56670 746.24515
|
|
925.0000 -165.92911 -160.51937 5.40974 2.33208 -159.17967 652.03852
|
|
930.0000 -165.97552 -161.11691 4.85861 2.24806 -160.56558 615.77643
|
|
935.0000 -166.45189 -160.86449 5.58740 2.23271 -160.81882 614.99539
|
|
940.0000 -165.69478 -159.40658 6.28820 2.31028 -159.53916 686.58727
|
|
945.0000 -165.81057 -159.64594 6.16463 2.28881 -159.89344 657.03720
|
|
950.0000 -165.70513 -160.01181 5.69333 2.29209 -159.83929 652.75402
|
|
955.0000 -165.05889 -158.65473 6.40417 2.34728 -158.92890 672.26284
|
|
960.0000 -164.32130 -157.60080 6.72050 2.40847 -157.91943 720.74441
|
|
965.0000 -165.32989 -159.04891 6.28097 2.38274 -158.34393 714.01743
|
|
970.0000 -165.97911 -158.87033 7.10878 2.35188 -158.85300 730.84882
|
|
975.0000 -166.30946 -160.62399 5.68547 2.27993 -160.03994 671.93094
|
|
980.0000 -166.34252 -161.25225 5.09027 2.23582 -160.76756 668.21863
|
|
985.0000 -166.44314 -160.25170 6.19144 2.22083 -161.01472 635.77109
|
|
990.0000 -164.48885 -159.00034 5.48850 2.31365 -159.48371 684.97645
|
|
995.0000 -164.62077 -158.45552 6.16525 2.38387 -158.32533 726.23558
|
|
1000.0000 -164.53668 -158.44641 6.09027 2.37838 -158.41584 729.01541
|
|
MELTING PROCESS: loop number 5 T-loop= 797.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 797.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.94655 0.62045 0.89426
|
|
force_rgl> df(natom) -0.72152 -1.89719 -1.82983
|
|
1005.0000 -163.77362 -157.88792 5.88571 2.41273 -157.84920 762.99311
|
|
1010.0000 -163.61900 -156.73700 6.88200 2.46809 -156.93599 783.29760
|
|
1015.0000 -163.93036 -156.32645 7.60391 2.51839 -156.10628 823.83487
|
|
1020.0000 -162.76739 -156.36643 6.40096 2.50825 -156.27342 804.47790
|
|
1025.0000 -163.13473 -156.35985 6.77488 2.45831 -157.09734 786.18999
|
|
1030.0000 -163.34387 -156.51944 6.82443 2.47636 -156.79951 766.74648
|
|
1035.0000 -162.41151 -155.89823 6.51328 2.48570 -156.64550 773.44790
|
|
1040.0000 -163.59694 -156.19657 7.40038 2.52370 -156.01859 795.27485
|
|
1045.0000 -162.75337 -156.22862 6.52476 2.51279 -156.19864 808.06097
|
|
1050.0000 -163.39200 -156.96910 6.42291 2.46461 -156.99336 739.74443
|
|
1055.0000 -161.77666 -155.48154 6.29511 2.53535 -155.82642 801.25484
|
|
1060.0000 -162.28604 -156.68396 5.60208 2.51524 -156.15815 797.70192
|
|
1065.0000 -163.25697 -156.90892 6.34805 2.45625 -157.13119 753.37632
|
|
1070.0000 -163.49801 -156.13352 7.36449 2.50570 -156.31548 779.99398
|
|
1075.0000 -163.21368 -155.69954 7.51414 2.53801 -155.78257 843.46105
|
|
1080.0000 -161.54248 -154.87498 6.66750 2.56534 -155.33176 857.49370
|
|
1085.0000 -163.26335 -155.63918 7.62417 2.55447 -155.51107 857.58085
|
|
1090.0000 -163.25047 -155.63444 7.61603 2.50567 -156.31605 799.77832
|
|
1095.0000 -163.18581 -156.86622 6.31959 2.47302 -156.85462 775.68612
|
|
1100.0000 -164.20483 -158.24014 5.96469 2.44262 -157.35613 767.83476
|
|
1105.0000 -165.02222 -159.42343 5.59879 2.39448 -158.15029 749.11016
|
|
1110.0000 -164.38954 -155.76359 8.62595 2.42841 -157.59055 792.84527
|
|
1115.0000 -161.83322 -154.27749 7.55574 2.54054 -155.74077 851.98686
|
|
1120.0000 -162.47936 -155.65492 6.82444 2.59241 -154.88516 861.31058
|
|
1125.0000 -162.08087 -156.11907 5.96180 2.55204 -155.55105 814.50122
|
|
1130.0000 -162.51234 -156.67280 5.83955 2.50419 -156.34042 799.31914
|
|
1135.0000 -162.97689 -156.17232 6.80458 2.51485 -156.16461 814.43091
|
|
1140.0000 -164.19155 -157.86217 6.32938 2.42721 -157.61029 743.07060
|
|
1145.0000 -163.77963 -157.35355 6.42608 2.44238 -157.36004 742.95210
|
|
1150.0000 -164.13622 -157.51409 6.62212 2.44577 -157.30409 746.47594
|
|
1155.0000 -163.64131 -156.78059 6.86072 2.43359 -157.50502 747.20738
|
|
1160.0000 -164.14844 -157.70595 6.44249 2.46629 -156.96573 779.38369
|
|
1165.0000 -163.53987 -157.89117 5.64869 2.46737 -156.94780 780.78594
|
|
1170.0000 -164.09543 -155.80702 8.28840 2.49089 -156.55980 817.27637
|
|
1175.0000 -162.64826 -155.63411 7.01415 2.57564 -155.16175 826.89116
|
|
1180.0000 -163.36888 -156.17424 7.19464 2.55340 -155.52859 816.87574
|
|
1185.0000 -162.47473 -155.52971 6.94502 2.53333 -155.85969 812.96010
|
|
1190.0000 -162.07136 -154.43258 7.63878 2.58882 -154.94443 834.92002
|
|
1195.0000 -163.83960 -156.64316 7.19644 2.53214 -155.87937 799.47802
|
|
1200.0000 -164.10246 -156.80218 7.30028 2.47604 -156.80476 790.32114
|
|
1205.0000 -162.77162 -156.11025 6.66137 2.53208 -155.88045 812.44511
|
|
1210.0000 -162.79962 -155.45935 7.34027 2.54005 -155.74890 818.01821
|
|
1215.0000 -163.80136 -157.52396 6.27740 2.54676 -155.63824 802.92177
|
|
1220.0000 -164.24856 -156.90334 7.34523 2.45893 -157.08714 768.13682
|
|
1225.0000 -163.31281 -156.98682 6.32599 2.48072 -156.72758 790.66223
|
|
1230.0000 -163.09094 -156.11495 6.97599 2.51373 -156.18304 821.74363
|
|
1235.0000 -163.49386 -156.57902 6.91485 2.53606 -155.81476 848.05579
|
|
1240.0000 -162.14295 -154.97973 7.16322 2.53940 -155.75969 834.68872
|
|
1245.0000 -162.45432 -155.82236 6.63196 2.55682 -155.47226 842.54928
|
|
1250.0000 -164.11331 -157.28491 6.82841 2.50184 -156.37922 807.08500
|
|
MELTING PROCESS: loop number 6 T-loop= 897.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 897.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.42552 1.84427 -4.09329
|
|
force_rgl> df(natom) 2.72396 -3.22730 -1.09895
|
|
1255.0000 -161.57058 -153.67255 7.89803 2.58975 -154.92897 848.20065
|
|
1260.0000 -162.87867 -154.43703 8.44164 2.63696 -154.15033 879.22057
|
|
1265.0000 -162.33029 -154.71237 7.61792 2.63374 -154.20341 884.42936
|
|
1270.0000 -161.62879 -154.40069 7.22810 2.58736 -154.96848 852.02769
|
|
1275.0000 -161.53077 -153.70620 7.82457 2.65188 -153.90410 876.59980
|
|
1280.0000 -160.69291 -152.50699 8.18592 2.70561 -153.01777 897.51314
|
|
1285.0000 -163.63652 -155.54515 8.09137 2.67823 -153.46949 908.78323
|
|
1290.0000 -161.98014 -154.03017 7.94997 2.63857 -154.12362 895.69768
|
|
1295.0000 -163.11916 -154.68236 8.43680 2.64510 -154.01599 895.38202
|
|
1300.0000 -162.91148 -156.41017 6.50131 2.60155 -154.73433 855.50776
|
|
1305.0000 -162.72876 -155.83437 6.89439 2.52036 -156.07373 822.35236
|
|
1310.0000 -164.64673 -159.13811 5.50862 2.44280 -157.35318 763.39402
|
|
1315.0000 -164.07266 -156.98381 7.08885 2.36798 -158.58742 706.76798
|
|
1320.0000 -162.22671 -155.24750 6.97921 2.48321 -156.68652 803.32297
|
|
1325.0000 -160.06739 -151.60792 8.45947 2.65470 -153.85755 889.87500
|
|
1330.0000 -160.09943 -151.63650 8.46292 2.80258 -151.41816 1029.80534
|
|
1335.0000 -160.95277 -153.76077 7.19200 2.72955 -152.62281 947.09308
|
|
1340.0000 -163.07188 -154.53076 8.54113 2.64374 -154.03840 883.30795
|
|
1345.0000 -160.89257 -153.45216 7.44041 2.58758 -154.96485 888.47237
|
|
1350.0000 -161.46630 -153.72190 7.74440 2.71001 -152.94526 908.22813
|
|
1355.0000 -161.12526 -154.02838 7.09688 2.68414 -153.37192 950.11369
|
|
1360.0000 -163.18416 -155.12471 8.05945 2.61994 -154.43104 882.59375
|
|
1365.0000 -161.93994 -153.41272 8.52721 2.63063 -154.25462 879.34341
|
|
1370.0000 -160.42812 -153.33062 7.09749 2.72796 -152.64917 940.30808
|
|
1375.0000 -162.14600 -153.88107 8.26493 2.67047 -153.59741 909.34606
|
|
1380.0000 -159.04194 -150.68642 8.35552 2.72914 -152.62955 945.36173
|
|
1385.0000 -160.23238 -152.11012 8.12225 2.81692 -151.18157 1013.28227
|
|
1390.0000 -162.12356 -154.10477 8.01879 2.72329 -152.72619 956.98066
|
|
1395.0000 -162.87531 -155.96228 6.91303 2.59590 -154.82766 867.02832
|
|
1400.0000 -162.64107 -154.32872 8.31235 2.61125 -154.57435 851.06265
|
|
1405.0000 -162.31039 -154.21277 8.09762 2.65583 -153.83900 880.91278
|
|
1410.0000 -161.68214 -155.54410 6.13805 2.61128 -154.57387 890.57461
|
|
1415.0000 -161.22011 -152.63844 8.58167 2.61903 -154.44599 889.76687
|
|
1420.0000 -161.69223 -154.31339 7.37883 2.64224 -154.06308 892.22058
|
|
1425.0000 -161.69908 -154.02318 7.67590 2.64134 -154.07804 893.51164
|
|
1430.0000 -163.49237 -155.93193 7.56044 2.57956 -155.09716 845.39655
|
|
1435.0000 -162.04792 -153.01226 9.03565 2.63771 -154.13786 905.72555
|
|
1440.0000 -161.36333 -153.78526 7.57807 2.73725 -152.49583 988.95285
|
|
1445.0000 -161.34904 -153.43426 7.91478 2.65340 -153.87902 901.86501
|
|
1450.0000 -159.85530 -152.57331 7.28199 2.70549 -153.01981 920.12427
|
|
1455.0000 -161.14603 -152.86604 8.27999 2.72085 -152.76634 948.52389
|
|
1460.0000 -162.73323 -154.38061 8.35262 2.68660 -153.33146 920.22130
|
|
1465.0000 -161.54851 -153.79997 7.74854 2.60347 -154.70263 870.30140
|
|
1470.0000 -162.36520 -154.36968 7.99552 2.66232 -153.73188 917.38272
|
|
1475.0000 -161.81569 -154.53771 7.27799 2.61801 -154.46293 887.63224
|
|
1480.0000 -162.02412 -154.57696 7.44715 2.59659 -154.81627 850.94549
|
|
1485.0000 -163.66289 -155.72583 7.93706 2.59835 -154.78721 887.22111
|
|
1490.0000 -163.50640 -155.43668 8.06972 2.52203 -156.04615 853.58039
|
|
1495.0000 -162.21969 -154.16260 8.05708 2.64476 -154.02160 853.59574
|
|
1500.0000 -161.31835 -153.77198 7.54637 2.62265 -154.38633 874.92108
|
|
MELTING PROCESS: loop number 7 T-loop= 997.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 997.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.26367 -2.14839 -0.95380
|
|
force_rgl> df(natom) 1.40857 -1.21592 -0.20389
|
|
1505.0000 -160.27457 -152.38982 7.88475 2.67463 -153.52884 906.40911
|
|
1510.0000 -161.72871 -151.80416 9.92455 2.72996 -152.61613 962.71450
|
|
1515.0000 -161.22072 -152.67511 8.54561 2.73834 -152.47794 993.14525
|
|
1520.0000 -159.66702 -149.22827 10.43875 2.83806 -150.83285 1058.77216
|
|
1525.0000 -159.80805 -149.66860 10.13945 2.89380 -149.91334 1072.66656
|
|
1530.0000 -159.96579 -150.22620 9.73959 2.96639 -148.71588 1149.71073
|
|
1535.0000 -161.23151 -151.26962 9.96189 2.83539 -150.87684 1044.08399
|
|
1540.0000 -158.49049 -149.45643 9.03406 2.92707 -149.36450 1113.57202
|
|
1545.0000 -160.51983 -151.28127 9.23856 2.84085 -150.78684 1054.20466
|
|
1550.0000 -162.34484 -153.97385 8.37099 2.69979 -153.11378 949.10591
|
|
1555.0000 -161.13097 -153.42440 7.70658 2.68808 -153.30694 931.33499
|
|
1560.0000 -162.73678 -153.67136 9.06543 2.65735 -153.81388 905.88180
|
|
1565.0000 -161.77545 -152.05140 9.72404 2.70528 -153.02318 958.32952
|
|
1570.0000 -158.25146 -148.84995 9.40151 2.82177 -151.10167 1021.60805
|
|
1575.0000 -159.29950 -150.81976 8.47973 2.95157 -148.96035 1069.83465
|
|
1580.0000 -159.41006 -151.24648 8.16358 2.80389 -151.39655 957.75707
|
|
1585.0000 -159.63072 -151.15863 8.47209 2.79813 -151.49161 987.03828
|
|
1590.0000 -158.70444 -150.14535 8.55910 2.86266 -150.42699 1045.83497
|
|
1595.0000 -159.56337 -151.65476 7.90861 2.81051 -151.28739 1006.05582
|
|
1600.0000 -159.46837 -149.51101 9.95736 2.81740 -151.17363 1025.88146
|
|
1605.0000 -157.96603 -149.40329 8.56275 2.95802 -148.85393 1126.40308
|
|
1610.0000 -158.61516 -150.16858 8.44658 2.89811 -149.84221 1048.00604
|
|
1615.0000 -157.89012 -148.71190 9.17821 2.90423 -149.74132 1020.67388
|
|
1620.0000 -160.11472 -149.38425 10.73047 2.92451 -149.40683 1071.58705
|
|
1625.0000 -157.79121 -149.82863 7.96258 2.89650 -149.86886 1049.25497
|
|
1630.0000 -159.63126 -150.91617 8.71510 2.83985 -150.80326 1000.10214
|
|
1635.0000 -159.89704 -151.36664 8.53039 2.82189 -151.09969 1024.56570
|
|
1640.0000 -160.26146 -153.33271 6.92875 2.74144 -152.42675 956.81260
|
|
1645.0000 -159.90805 -150.77877 9.12928 2.77475 -151.87732 977.65751
|
|
1650.0000 -161.38946 -151.32889 10.06058 2.79236 -151.58681 1004.40728
|
|
1655.0000 -158.60508 -150.89012 7.71496 2.79519 -151.54000 993.55024
|
|
1660.0000 -159.88492 -151.21795 8.66697 2.86590 -150.37361 1037.68398
|
|
1665.0000 -161.32102 -153.38350 7.93751 2.78947 -151.63436 1014.53590
|
|
1670.0000 -161.01897 -152.60796 8.41101 2.72813 -152.64622 964.20858
|
|
1675.0000 -161.39632 -153.52844 7.86788 2.65294 -153.88666 895.98574
|
|
1680.0000 -160.75823 -153.82243 6.93579 2.71025 -152.94119 959.06334
|
|
1685.0000 -161.61877 -151.02724 10.59152 2.76349 -152.06296 999.52966
|
|
1690.0000 -159.77706 -152.30621 7.47086 2.79944 -151.46998 998.33994
|
|
1695.0000 -161.01569 -153.21122 7.80446 2.73999 -152.45073 988.53274
|
|
1700.0000 -162.00983 -154.08942 7.92042 2.67334 -153.55020 922.36555
|
|
1705.0000 -159.16551 -150.24056 8.92495 2.72391 -152.71589 945.92041
|
|
1710.0000 -158.16951 -149.28789 8.88162 2.91500 -149.56371 1092.43944
|
|
1715.0000 -160.08398 -151.64904 8.43495 2.87473 -150.22800 1027.40283
|
|
1720.0000 -160.98992 -151.68488 9.30504 2.77643 -151.84952 992.37769
|
|
1725.0000 -160.08998 -151.87182 8.21816 2.77246 -151.91496 1005.98468
|
|
1730.0000 -159.49847 -150.03830 9.46017 2.84001 -150.80066 1036.34830
|
|
1735.0000 -160.29080 -151.19836 9.09244 2.88548 -150.05066 1067.33196
|
|
1740.0000 -160.02936 -150.87093 9.15844 2.87437 -150.23391 1062.25522
|
|
1745.0000 -160.35651 -151.01485 9.34166 2.82647 -151.02405 996.73968
|
|
1750.0000 -161.61689 -152.26094 9.35595 2.77111 -151.93727 995.63112
|
|
MELTING PROCESS: loop number 8 T-loop= 1097.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1097.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.22795 -0.03507 -4.20822
|
|
force_rgl> df(natom) -0.27376 -2.16754 -5.83602
|
|
1755.0000 -159.55200 -151.17482 8.37718 2.82918 -150.97936 1016.45944
|
|
1760.0000 -158.05593 -150.03459 8.02134 2.85315 -150.58399 1019.95596
|
|
1765.0000 -159.95920 -151.57660 8.38261 2.85938 -150.48112 1034.91960
|
|
1770.0000 -159.15874 -148.82999 10.32874 2.86811 -150.33718 1057.34965
|
|
1775.0000 -159.62416 -149.26677 10.35739 2.91952 -149.48906 1084.62321
|
|
1780.0000 -157.56633 -148.13995 9.42638 3.00492 -148.08027 1130.60359
|
|
1785.0000 -157.69353 -148.08303 9.61050 2.92872 -149.33732 1086.78553
|
|
1790.0000 -157.05315 -147.38327 9.66988 3.02322 -147.77844 1185.38145
|
|
1795.0000 -157.31482 -148.12028 9.19454 3.02672 -147.72074 1156.73137
|
|
1800.0000 -159.54554 -148.02244 11.52310 3.01706 -147.87999 1159.08672
|
|
1805.0000 -160.55144 -150.66986 9.88158 2.90189 -149.77989 1059.69008
|
|
1810.0000 -157.94324 -147.54006 10.40319 2.97260 -148.61341 1099.58887
|
|
1815.0000 -158.71200 -147.50559 11.20641 3.06693 -147.05747 1196.89551
|
|
1820.0000 -156.48984 -147.64232 8.84752 2.97283 -148.60960 1128.20456
|
|
1825.0000 -157.94462 -149.59015 8.35447 2.95791 -148.85586 1104.63373
|
|
1830.0000 -160.26170 -150.07957 10.18214 2.86937 -150.31630 1057.89224
|
|
1835.0000 -158.38724 -149.52693 8.86031 2.85699 -150.52063 1057.18010
|
|
1840.0000 -157.94568 -148.42931 9.51637 2.96270 -148.77678 1101.86207
|
|
1845.0000 -157.98332 -148.15108 9.83223 2.96121 -148.80131 1125.77108
|
|
1850.0000 -158.27571 -147.88099 10.39472 3.00495 -148.07984 1129.09581
|
|
1855.0000 -159.98016 -150.30961 9.67055 2.90909 -149.66119 1093.59608
|
|
1860.0000 -159.80907 -152.37714 7.43193 2.76804 -151.98794 981.97782
|
|
1865.0000 -160.70197 -150.69599 10.00598 2.86837 -150.33295 1072.16953
|
|
1870.0000 -160.06498 -150.13155 9.93343 2.91192 -149.61449 1120.55630
|
|
1875.0000 -162.24863 -151.77612 10.47251 2.85182 -150.60590 1071.15244
|
|
1880.0000 -159.47919 -149.44779 10.03141 2.83340 -150.90974 1060.35403
|
|
1885.0000 -157.73018 -148.33288 9.39730 2.94541 -149.06202 1099.48109
|
|
1890.0000 -158.59738 -148.41811 10.17927 3.00725 -148.04193 1152.67400
|
|
1895.0000 -158.85744 -149.07862 9.77882 2.92819 -149.34607 1088.03808
|
|
1900.0000 -157.23943 -146.85279 10.38665 3.00501 -148.07876 1159.99445
|
|
1905.0000 -155.37523 -146.21034 9.16489 3.14622 -145.74947 1246.40761
|
|
1910.0000 -158.99277 -148.55390 10.43886 2.99813 -148.19236 1149.71866
|
|
1915.0000 -158.53297 -148.64743 9.88553 2.98028 -148.48683 1115.01320
|
|
1920.0000 -158.51388 -149.56357 8.95030 2.97420 -148.58715 1109.90679
|
|
1925.0000 -158.57042 -149.24952 9.32089 3.00320 -148.10871 1121.27129
|
|
1930.0000 -157.45016 -148.87496 8.57519 2.94654 -149.04337 1108.83322
|
|
1935.0000 -157.58840 -148.46151 9.12689 2.99379 -148.26400 1172.62427
|
|
1940.0000 -160.41559 -150.33213 10.08346 2.92462 -149.40491 1091.74061
|
|
1945.0000 -158.03384 -150.28633 7.74751 2.87083 -150.29229 1014.54242
|
|
1950.0000 -157.80469 -148.54052 9.26417 2.93514 -149.23147 1048.99188
|
|
1955.0000 -157.82121 -150.21852 7.60269 2.93360 -149.25689 1087.64837
|
|
1960.0000 -159.91307 -151.11138 8.80169 2.83035 -150.96014 1034.47547
|
|
1965.0000 -161.54982 -151.25881 10.29101 2.82731 -151.01015 1026.63283
|
|
1970.0000 -156.66404 -146.19736 10.46668 3.00035 -148.15574 1147.94017
|
|
1975.0000 -158.27262 -149.74229 8.53032 3.04005 -147.50073 1151.90275
|
|
1980.0000 -158.91489 -149.32022 9.59467 2.90826 -149.67485 1082.59222
|
|
1985.0000 -156.02951 -146.19634 9.83317 3.01657 -147.88818 1151.76780
|
|
1990.0000 -157.57956 -148.17523 9.40433 3.12592 -146.08425 1217.73173
|
|
1995.0000 -156.20481 -147.33299 8.87182 3.00086 -148.14731 1076.42441
|
|
2000.0000 -158.47274 -148.93619 9.53655 3.01521 -147.91054 1141.42202
|
|
MELTING PROCESS: loop number 9 T-loop= 1197.0000000000000
|
|
main_MD> interactions number 9 at Temperature= 1197.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.12440 7.88808 -0.24981
|
|
force_rgl> df(natom) -0.08462 -0.31168 -0.12105
|
|
2005.0000 -158.93946 -150.27263 8.66684 2.90561 -149.71848 1058.07574
|
|
2010.0000 -157.96151 -147.88163 10.07988 2.99217 -148.29063 1134.33128
|
|
2015.0000 -155.59018 -145.81145 9.77872 3.07302 -146.95693 1154.28739
|
|
2020.0000 -157.17659 -144.97813 12.19845 3.14694 -145.73758 1242.71517
|
|
2025.0000 -155.30147 -143.69251 11.60896 3.18577 -145.09692 1235.04635
|
|
2030.0000 -156.11949 -143.34797 12.77153 3.25524 -143.95097 1298.51817
|
|
2035.0000 -155.35807 -144.04971 11.30836 3.25862 -143.89516 1327.15061
|
|
2040.0000 -157.50174 -145.91987 11.58187 3.22489 -144.45162 1267.82086
|
|
2045.0000 -156.22400 -146.18796 10.03603 3.19738 -144.90554 1286.73418
|
|
2050.0000 -157.35515 -148.10149 9.25366 3.04968 -147.34192 1149.25061
|
|
2055.0000 -156.39497 -145.67984 10.71513 3.00401 -148.09528 1131.62552
|
|
2060.0000 -156.45562 -146.61399 9.84163 3.08424 -146.77185 1151.22440
|
|
2065.0000 -156.84216 -147.66154 9.18062 3.03126 -147.64581 1138.03101
|
|
2070.0000 -155.80826 -144.01273 11.79553 3.19187 -144.99640 1309.78143
|
|
2075.0000 -156.33453 -145.65056 10.68397 3.08935 -146.68759 1179.01845
|
|
2080.0000 -155.70146 -145.40325 10.29822 3.12797 -146.05044 1215.76153
|
|
2085.0000 -158.77356 -149.30664 9.46692 3.11279 -146.30083 1200.14155
|
|
2090.0000 -158.20921 -146.75540 11.45381 3.03504 -147.58345 1180.70658
|
|
2095.0000 -152.22564 -143.58442 8.64121 3.20001 -144.86201 1309.85680
|
|
2100.0000 -156.49385 -144.30887 12.18499 3.21235 -144.65847 1270.54663
|
|
2105.0000 -158.61671 -147.74395 10.87276 3.11105 -146.32950 1217.37922
|
|
2110.0000 -158.17319 -146.90232 11.27087 3.01893 -147.84920 1130.16420
|
|
2115.0000 -157.17030 -146.30174 10.86856 3.04456 -147.42643 1190.15142
|
|
2120.0000 -155.30712 -146.63968 8.66743 3.10491 -146.43089 1185.61226
|
|
2125.0000 -155.10165 -146.31250 8.78915 3.06998 -147.00707 1155.92743
|
|
2130.0000 -156.64773 -143.84409 12.80364 3.12271 -146.13725 1194.39912
|
|
2135.0000 -158.90440 -147.67075 11.23365 3.13433 -145.94556 1220.05583
|
|
2140.0000 -154.48082 -144.34968 10.13114 3.11632 -146.24272 1227.74505
|
|
2145.0000 -155.69920 -146.33376 9.36544 3.19088 -145.01266 1279.22951
|
|
2150.0000 -157.32839 -147.17305 10.15534 3.08161 -146.81530 1223.13785
|
|
2155.0000 -157.35570 -146.17500 11.18071 3.05624 -147.23381 1144.30875
|
|
2160.0000 -157.77732 -146.58285 11.19447 3.14573 -145.75751 1248.16105
|
|
2165.0000 -157.06468 -147.36912 9.69556 3.05137 -147.31409 1140.47198
|
|
2170.0000 -155.84997 -144.29208 11.55789 3.13236 -145.97803 1201.01320
|
|
2175.0000 -158.20633 -146.49307 11.71326 3.12300 -146.13253 1229.06436
|
|
2180.0000 -157.03040 -146.56277 10.46763 3.11612 -146.24588 1198.59604
|
|
2185.0000 -158.79107 -149.77237 9.01870 2.98399 -148.42551 1146.90687
|
|
2190.0000 -156.53848 -146.35147 10.18700 3.09137 -146.65421 1220.75548
|
|
2195.0000 -155.84609 -145.61121 10.23487 3.11074 -146.33466 1260.22283
|
|
2200.0000 -156.61645 -147.02035 9.59611 3.10240 -146.47234 1209.45333
|
|
2205.0000 -157.30470 -146.06190 11.24280 3.09984 -146.51446 1190.74794
|
|
2210.0000 -154.63652 -143.99375 10.64277 3.20738 -144.74048 1241.31914
|
|
2215.0000 -154.92325 -143.53681 11.38644 3.28626 -143.43929 1311.93408
|
|
2220.0000 -155.07054 -142.79293 12.27761 3.32460 -142.80679 1329.92203
|
|
2225.0000 -153.57016 -141.99358 11.57658 3.28063 -143.53219 1314.73287
|
|
2230.0000 -155.50926 -144.01673 11.49253 3.34543 -142.46314 1372.88759
|
|
2235.0000 -156.01828 -146.06708 9.95120 3.18213 -145.15705 1284.54592
|
|
2240.0000 -154.95528 -145.01011 9.94518 3.08669 -146.73144 1191.59659
|
|
2245.0000 -155.39258 -143.19359 12.19899 3.26113 -143.85376 1308.88991
|
|
2250.0000 -156.58179 -144.03335 12.54844 3.24180 -144.17278 1280.09762
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 29.7611271 [s].
|
|
main_MD> Deallocating global variables
|