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_14.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 = 14 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: 14 1400
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main_MD> Size of nv and nvoiz: 14 1400
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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 = 14
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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> 0.11459266743153254 6.1190876701462775E-002 -0.12422546777141312 initial drift of cluster / NP1 for coalescence
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init> 0.35025012241448378 0.34725484285904795 0.26891294639309060 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.8565139096546957E-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) -0.54885 1.21608 -3.50444
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force_rgl> df(natom) -1.75976 0.77453 -0.14535
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preparo> THERMALIZATION PROCESS AT 297.56595521791974
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -32.298691754061892 0.38247201270451303 -32.681163766766403 3.7690422139159907E-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= 399.00000000000000
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main_MD> interactions number 1 at Temperature= 399.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.12249 -0.19793 -1.47406
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force_rgl> df(natom) -0.52496 -0.10241 -0.74150
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5.0000 -32.18255 -31.38876 0.79379 1.62914 -31.83669 310.67731
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10.0000 -32.00756 -31.23382 0.77374 1.73643 -31.21346 496.12229
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15.0000 -32.35726 -31.67160 0.68566 1.70289 -31.40829 428.39354
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20.0000 -32.39016 -31.73198 0.65819 1.64714 -31.73209 354.69027
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25.0000 -32.28751 -31.57012 0.71738 1.66399 -31.63423 395.33123
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30.0000 -32.51045 -31.66309 0.84737 1.67401 -31.57601 394.73186
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35.0000 -31.89273 -31.06344 0.82930 1.70075 -31.42073 424.56532
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40.0000 -31.94446 -31.29951 0.64495 1.72351 -31.28850 431.28343
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45.0000 -32.27284 -31.65401 0.61883 1.68889 -31.48958 412.05138
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50.0000 -32.54063 -31.80571 0.73492 1.64648 -31.73597 340.78416
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55.0000 -32.52943 -32.02097 0.50846 1.61758 -31.90385 297.50930
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60.0000 -32.26281 -31.45060 0.81222 1.66483 -31.62935 395.01756
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65.0000 -32.15954 -31.67027 0.48927 1.69134 -31.47535 408.43483
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70.0000 -32.05429 -31.46189 0.59240 1.69017 -31.48216 403.35562
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75.0000 -32.13101 -31.55608 0.57493 1.69289 -31.46636 388.93233
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80.0000 -32.51775 -31.98897 0.52878 1.66207 -31.64538 372.86667
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85.0000 -32.36160 -31.78737 0.57423 1.60787 -31.96021 284.61673
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90.0000 -32.44224 -31.65330 0.78894 1.63277 -31.81556 323.72952
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95.0000 -32.33724 -31.72379 0.61346 1.64734 -31.73096 373.88209
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100.0000 -31.78722 -30.80035 0.98687 1.70994 -31.36734 416.37374
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105.0000 -32.00463 -31.12956 0.87507 1.75794 -31.08848 497.96431
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110.0000 -32.01663 -31.35313 0.66349 1.75218 -31.12196 518.78273
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115.0000 -32.42988 -31.27396 1.15592 1.71108 -31.36069 448.77328
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120.0000 -32.44797 -31.53956 0.90841 1.68512 -31.51147 393.74465
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125.0000 -32.11247 -31.48207 0.63040 1.69378 -31.46121 411.18484
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130.0000 -32.30329 -31.44772 0.85558 1.68984 -31.48406 402.33460
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135.0000 -32.28414 -31.52782 0.75632 1.66769 -31.61276 360.68529
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140.0000 -32.26895 -31.46643 0.80252 1.66047 -31.65471 363.74756
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145.0000 -32.15860 -31.37409 0.78451 1.70117 -31.41829 448.30783
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150.0000 -32.07727 -31.42246 0.65481 1.69798 -31.43682 403.56340
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155.0000 -32.21923 -31.52571 0.69352 1.70188 -31.41416 426.59876
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160.0000 -32.43696 -31.56379 0.87318 1.65842 -31.66661 365.71432
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165.0000 -32.10448 -31.39101 0.71347 1.70585 -31.39108 428.05787
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170.0000 -32.28440 -31.50821 0.77619 1.67998 -31.54138 396.53449
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175.0000 -32.04454 -31.33467 0.70986 1.69396 -31.46015 412.37228
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180.0000 -32.14532 -31.44282 0.70251 1.71141 -31.35878 435.00256
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185.0000 -32.32845 -31.55852 0.76992 1.68156 -31.53215 379.84320
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190.0000 -32.03032 -31.63805 0.39227 1.67402 -31.57596 364.22413
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195.0000 -32.25574 -31.64847 0.60726 1.64755 -31.72972 325.59962
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200.0000 -32.18112 -31.42325 0.75787 1.68712 -31.49988 402.11061
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205.0000 -32.45777 -31.79860 0.65918 1.68168 -31.53148 399.95453
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210.0000 -32.28802 -31.49541 0.79261 1.66141 -31.64925 379.83563
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215.0000 -32.21523 -31.14504 1.07019 1.71137 -31.35904 459.81734
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220.0000 -31.96465 -31.18701 0.77763 1.75929 -31.08069 537.38598
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225.0000 -32.15404 -31.41876 0.73528 1.71622 -31.33085 446.65854
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230.0000 -32.31161 -31.65691 0.65470 1.66596 -31.62279 356.84962
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235.0000 -32.23178 -31.65333 0.57845 1.65393 -31.69269 389.28423
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240.0000 -32.39544 -31.83956 0.55588 1.64148 -31.76499 347.49708
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245.0000 -32.36479 -31.83976 0.52503 1.65683 -31.67583 330.38922
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250.0000 -32.21770 -31.58359 0.63412 1.64719 -31.73185 337.76162
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MELTING PROCESS: loop number 2 T-loop= 499.00000000000000
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main_MD> interactions number 2 at Temperature= 499.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.36718 -3.27759 2.90873
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force_rgl> df(natom) -0.98933 0.73840 1.34464
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255.0000 -32.09537 -31.21616 0.87921 1.72570 -31.27577 456.01836
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260.0000 -32.11608 -31.23962 0.87646 1.73646 -31.21328 472.32573
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265.0000 -32.28970 -31.11216 1.17754 1.74889 -31.14110 498.39054
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270.0000 -32.32434 -31.45557 0.86877 1.75090 -31.12942 510.05092
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275.0000 -32.07763 -31.16642 0.91121 1.73689 -31.21076 479.85812
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280.0000 -32.31988 -31.28659 1.03329 1.73424 -31.22620 477.04069
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285.0000 -32.22412 -31.45184 0.77227 1.69436 -31.45781 438.29420
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290.0000 -32.02390 -31.22215 0.80176 1.72206 -31.29695 449.48040
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295.0000 -32.14288 -31.32926 0.81362 1.72235 -31.29524 466.30093
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300.0000 -32.03783 -31.08427 0.95356 1.73200 -31.23917 482.68295
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305.0000 -32.19503 -31.53004 0.66499 1.73358 -31.22999 481.01649
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310.0000 -32.29523 -31.71145 0.58378 1.69337 -31.46356 413.04343
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315.0000 -32.11049 -31.39893 0.71155 1.66883 -31.60611 389.31418
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320.0000 -31.73137 -31.05550 0.67587 1.74202 -31.18101 506.99606
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325.0000 -32.00981 -30.78871 1.22111 1.77582 -30.98466 543.56885
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330.0000 -32.17459 -31.17371 1.00088 1.79208 -30.89018 568.62345
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335.0000 -32.34593 -31.46527 0.88066 1.72299 -31.29151 466.54827
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340.0000 -32.33413 -31.64444 0.68970 1.68207 -31.52924 420.41963
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345.0000 -32.02410 -31.31900 0.70510 1.69622 -31.44701 412.79311
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350.0000 -32.09779 -31.14141 0.95638 1.75443 -31.10886 523.80781
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355.0000 -32.22561 -31.37539 0.85022 1.73082 -31.24604 467.55004
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360.0000 -32.17929 -31.47082 0.70848 1.72539 -31.27757 459.88815
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365.0000 -31.91467 -30.87582 1.03885 1.72804 -31.26216 472.81149
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370.0000 -32.29131 -31.52764 0.76367 1.76045 -31.07394 517.63575
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375.0000 -32.04466 -31.22498 0.81967 1.68393 -31.51843 392.38913
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380.0000 -31.98423 -30.97197 1.01226 1.75181 -31.12413 525.48507
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385.0000 -31.99948 -30.99217 1.00731 1.76636 -31.03961 513.14938
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390.0000 -32.11728 -31.28712 0.83016 1.71696 -31.32652 443.89122
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395.0000 -31.98296 -31.13077 0.85219 1.74843 -31.14373 490.66279
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400.0000 -32.15185 -31.61880 0.53305 1.71465 -31.33996 438.02701
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405.0000 -32.09117 -30.88774 1.20343 1.73890 -31.19909 475.41815
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410.0000 -32.09776 -31.19388 0.90388 1.75202 -31.12290 529.48875
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415.0000 -32.24664 -31.40142 0.84522 1.72836 -31.26031 457.96345
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420.0000 -31.97470 -31.13820 0.83650 1.72518 -31.27882 450.76883
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425.0000 -32.09221 -31.23015 0.86207 1.72875 -31.25805 456.01180
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430.0000 -32.33869 -31.38801 0.95068 1.73306 -31.23303 478.22434
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435.0000 -31.93197 -31.12333 0.80864 1.75357 -31.11386 496.10131
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440.0000 -32.13570 -31.27712 0.85858 1.71918 -31.31362 446.41525
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445.0000 -32.01359 -31.26531 0.74828 1.73430 -31.22585 470.58198
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450.0000 -31.94265 -31.24333 0.69932 1.72619 -31.27291 470.92579
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455.0000 -32.15647 -31.23245 0.92402 1.75438 -31.10917 492.28190
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460.0000 -32.10303 -31.19208 0.91094 1.76919 -31.02316 536.26972
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465.0000 -31.69580 -30.73086 0.96494 1.79236 -30.88856 560.99831
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470.0000 -31.85147 -30.69479 1.15668 1.83585 -30.63596 626.87488
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475.0000 -31.77747 -30.91941 0.85805 1.79659 -30.86398 585.32031
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480.0000 -31.55300 -30.77001 0.78299 1.78438 -30.93491 535.66778
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485.0000 -31.56759 -30.70936 0.85823 1.80756 -30.80028 610.43009
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490.0000 -31.95103 -31.30569 0.64534 1.77727 -30.97624 547.16461
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495.0000 -32.22096 -31.64952 0.57145 1.69615 -31.44741 452.02369
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500.0000 -32.29879 -31.18945 1.10934 1.71649 -31.32931 453.46278
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MELTING PROCESS: loop number 3 T-loop= 599.00000000000000
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main_MD> interactions number 3 at Temperature= 599.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -2.77588 2.37845 -0.74609
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force_rgl> df(natom) 1.45044 -0.79630 -1.57815
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505.0000 -31.61126 -30.25446 1.35680 1.78601 -30.92543 538.46432
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510.0000 -31.71778 -30.58233 1.13545 1.88092 -30.37414 685.14497
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515.0000 -31.48967 -30.64057 0.84910 1.78626 -30.92400 575.13986
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520.0000 -31.85748 -30.68121 1.17628 1.81412 -30.76214 599.14401
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525.0000 -31.76465 -30.87128 0.89337 1.77243 -31.00436 512.26233
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530.0000 -31.82302 -30.51983 1.30319 1.77857 -30.96866 526.65122
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535.0000 -31.93708 -30.82148 1.11559 1.79433 -30.87712 573.14781
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540.0000 -32.02340 -31.28691 0.73649 1.77116 -31.01169 569.23026
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545.0000 -32.25997 -30.66874 1.59123 1.75592 -31.10023 515.14478
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550.0000 -31.53996 -30.38336 1.15660 1.85091 -30.54844 603.68924
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555.0000 -31.68975 -30.58634 1.10341 1.88880 -30.32837 714.58260
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560.0000 -31.92715 -30.86979 1.05735 1.83248 -30.65550 609.67469
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565.0000 -32.17331 -31.09112 1.08219 1.78485 -30.93219 543.78125
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570.0000 -32.34928 -31.52528 0.82401 1.74677 -31.15341 493.20983
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575.0000 -32.19414 -31.18741 1.00672 1.68838 -31.49257 406.44522
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580.0000 -31.72249 -30.83861 0.88388 1.78375 -30.93860 559.54246
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585.0000 -31.83160 -30.35105 1.48055 1.77998 -30.96048 544.78409
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590.0000 -31.86864 -30.59573 1.27290 1.85634 -30.51689 661.94216
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595.0000 -32.10895 -31.14704 0.96191 1.75997 -31.07673 506.45323
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600.0000 -31.79216 -30.95662 0.83554 1.79037 -30.90014 537.11305
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605.0000 -32.03199 -30.58204 1.44995 1.84322 -30.59315 622.22988
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610.0000 -31.97583 -30.93796 1.03787 1.87140 -30.42945 658.63565
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615.0000 -31.54313 -30.79986 0.74327 1.80736 -30.80145 582.38419
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620.0000 -31.61894 -30.55825 1.06069 1.78029 -30.95870 495.69850
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625.0000 -31.96199 -30.66114 1.30085 1.80375 -30.82238 591.93796
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630.0000 -31.54974 -30.49861 1.05112 1.83635 -30.63305 636.85121
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635.0000 -31.78701 -30.53372 1.25329 1.86399 -30.47248 640.36220
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640.0000 -31.61675 -30.19558 1.42117 1.91864 -30.15506 693.68869
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645.0000 -31.82071 -30.97972 0.84099 1.82564 -30.69524 604.41091
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650.0000 -31.71187 -30.72507 0.98680 1.83655 -30.63185 674.38977
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655.0000 -31.63618 -30.64017 0.99601 1.85863 -30.50361 668.91187
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660.0000 -31.82591 -30.59578 1.23012 1.83161 -30.66057 610.19262
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665.0000 -31.76071 -31.09573 0.66498 1.83002 -30.66982 617.55067
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670.0000 -31.97443 -31.32378 0.65065 1.73535 -31.21975 480.77374
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675.0000 -31.98439 -31.03012 0.95427 1.75031 -31.13285 508.80965
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680.0000 -31.84750 -30.81271 1.03479 1.73295 -31.23364 465.23109
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685.0000 -31.55647 -30.63109 0.92538 1.83013 -30.66916 629.25040
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690.0000 -32.05197 -30.91927 1.13270 1.82351 -30.70760 614.30217
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695.0000 -31.98040 -30.58376 1.39664 1.77838 -30.96975 535.55552
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700.0000 -31.80181 -30.82281 0.97900 1.81064 -30.78238 587.15833
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705.0000 -31.85131 -30.73434 1.11697 1.80942 -30.78948 581.81633
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710.0000 -31.72642 -30.23094 1.49547 1.85648 -30.51613 635.86286
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715.0000 -31.70403 -30.21961 1.48442 1.87135 -30.42974 676.12295
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720.0000 -31.30685 -30.17581 1.13103 1.88145 -30.37107 651.18671
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725.0000 -31.33782 -30.46034 0.87748 1.86161 -30.48631 547.01652
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730.0000 -31.46026 -30.35352 1.10674 1.89000 -30.32141 553.19541
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735.0000 -32.23533 -30.82029 1.41504 1.83860 -30.61998 636.51006
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740.0000 -32.08311 -31.09418 0.98893 1.72614 -31.27324 439.55352
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745.0000 -31.78085 -31.17549 0.60535 1.77265 -31.00306 514.20673
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750.0000 -31.69400 -30.48476 1.20924 1.75623 -31.09846 483.82111
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MELTING PROCESS: loop number 4 T-loop= 699.00000000000000
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main_MD> interactions number 4 at Temperature= 699.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 0.96497 -1.92192 1.20453
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force_rgl> df(natom) -0.98778 -1.35099 -0.52327
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755.0000 -31.64454 -30.37333 1.27121 1.89179 -30.31099 730.25704
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760.0000 -31.92443 -30.50848 1.41595 1.87268 -30.42198 749.27339
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765.0000 -31.49512 -30.54157 0.95355 1.87535 -30.40651 722.70588
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770.0000 -30.81948 -29.88685 0.93263 1.90146 -30.25481 654.96962
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775.0000 -31.56768 -30.04491 1.52276 1.93590 -30.05476 664.46144
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780.0000 -31.48482 -30.56326 0.92156 1.90591 -30.22896 733.78381
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785.0000 -31.32766 -30.57744 0.75022 1.87999 -30.37953 707.39156
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790.0000 -31.94627 -31.18233 0.76394 1.83572 -30.63671 632.92042
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795.0000 -32.23452 -30.71053 1.52400 1.78661 -30.92194 534.75940
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800.0000 -31.54750 -30.48123 1.06627 1.83405 -30.64639 594.62507
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805.0000 -31.57262 -30.16351 1.40911 1.90565 -30.23052 756.27352
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810.0000 -31.75002 -30.61743 1.13259 1.89670 -30.28246 729.99894
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815.0000 -31.96726 -30.77777 1.18948 1.79798 -30.85590 571.55886
|
|
820.0000 -31.28205 -29.45456 1.82749 1.83079 -30.66535 643.77527
|
|
825.0000 -31.24882 -30.44377 0.80505 1.99373 -29.71883 879.23944
|
|
830.0000 -31.47790 -30.24514 1.23277 1.89579 -30.28776 695.93459
|
|
835.0000 -32.11382 -31.10385 1.00997 1.84839 -30.56310 637.84180
|
|
840.0000 -31.25488 -30.01963 1.23525 1.83842 -30.62100 612.54307
|
|
845.0000 -31.06298 -29.71967 1.34331 1.91034 -30.20327 723.92069
|
|
850.0000 -32.14109 -29.99695 2.14413 1.96502 -29.88564 824.28640
|
|
855.0000 -30.83883 -29.62619 1.21264 1.96528 -29.88411 786.46098
|
|
860.0000 -31.91047 -30.23330 1.67718 1.97338 -29.83704 804.56649
|
|
865.0000 -31.28909 -29.86853 1.42056 1.90941 -30.20862 726.81392
|
|
870.0000 -31.58299 -30.59849 0.98450 1.89089 -30.31621 708.87278
|
|
875.0000 -31.77850 -30.43394 1.34456 1.82597 -30.69330 621.38050
|
|
880.0000 -31.48784 -30.73295 0.75490 1.84895 -30.55982 648.38439
|
|
885.0000 -31.68724 -30.11625 1.57099 1.89605 -30.28627 710.60360
|
|
890.0000 -32.03270 -30.61686 1.41584 1.89239 -30.30751 702.25510
|
|
895.0000 -32.09211 -30.67584 1.41627 1.88419 -30.35512 703.32666
|
|
900.0000 -31.59117 -30.17155 1.41962 1.91263 -30.18994 740.97186
|
|
905.0000 -31.66368 -30.43847 1.22521 1.87682 -30.39797 678.09176
|
|
910.0000 -31.57257 -30.09737 1.47521 1.89427 -30.29660 690.75428
|
|
915.0000 -31.51426 -30.42849 1.08577 1.91311 -30.18713 730.67974
|
|
920.0000 -31.38598 -30.18576 1.20022 1.88301 -30.36198 657.62831
|
|
925.0000 -31.61811 -30.37626 1.24185 1.96497 -29.88590 782.67136
|
|
930.0000 -31.31417 -30.38348 0.93069 1.84307 -30.59398 632.58028
|
|
935.0000 -32.07701 -30.38964 1.68737 1.87937 -30.38314 666.51822
|
|
940.0000 -31.34281 -30.33973 1.00307 1.89992 -30.26378 733.42643
|
|
945.0000 -31.46846 -30.32927 1.13919 1.86823 -30.44787 693.17239
|
|
950.0000 -31.99398 -31.02475 0.96923 1.79852 -30.85279 548.47031
|
|
955.0000 -32.02770 -30.98285 1.04485 1.78964 -30.90434 558.21678
|
|
960.0000 -31.40203 -30.08183 1.32019 1.90093 -30.25789 780.63607
|
|
965.0000 -31.47966 -30.25270 1.22696 1.87943 -30.38278 683.40258
|
|
970.0000 -31.01357 -29.85592 1.15765 1.92645 -30.10964 787.16534
|
|
975.0000 -30.48656 -28.99196 1.49460 2.01023 -29.62301 815.56193
|
|
980.0000 -30.68651 -29.18833 1.49818 2.10573 -29.06828 939.08533
|
|
985.0000 -30.82044 -29.36754 1.45290 2.00819 -29.63487 779.89771
|
|
990.0000 -31.50219 -30.03167 1.47053 1.98649 -29.76089 807.95965
|
|
995.0000 -31.20949 -30.15655 1.05295 1.92651 -30.10931 730.02425
|
|
1000.0000 -31.58736 -30.54974 1.03762 1.89090 -30.31618 683.02984
|
|
MELTING PROCESS: loop number 5 T-loop= 799.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 799.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.86799 -1.02505 -3.51056
|
|
force_rgl> df(natom) -0.20589 1.12693 0.32446
|
|
1005.0000 -31.50535 -30.11893 1.38641 1.88354 -30.35889 715.57938
|
|
1010.0000 -31.66901 -30.12033 1.54867 1.88367 -30.35818 701.03513
|
|
1015.0000 -32.04786 -30.59819 1.44967 1.83494 -30.64125 678.15838
|
|
1020.0000 -30.90666 -29.68206 1.22460 1.99857 -29.69074 754.35016
|
|
1025.0000 -31.65324 -30.06395 1.58929 1.94848 -29.98172 767.84854
|
|
1030.0000 -31.23868 -30.10665 1.13203 1.86145 -30.48726 663.61445
|
|
1035.0000 -31.17004 -30.15031 1.01973 1.93579 -30.05543 794.88068
|
|
1040.0000 -31.28025 -29.84989 1.43036 1.99413 -29.71655 868.40175
|
|
1045.0000 -30.45643 -28.55567 1.90075 2.09139 -29.15157 981.31979
|
|
1050.0000 -30.56338 -29.34419 1.21918 2.19309 -28.56081 1193.20345
|
|
1055.0000 -30.60432 -29.24466 1.35966 2.08377 -29.19582 794.91917
|
|
1060.0000 -30.15599 -28.32860 1.82739 2.16069 -28.74899 993.97876
|
|
1065.0000 -31.00434 -29.34939 1.65495 2.15507 -28.78165 1037.29206
|
|
1070.0000 -30.48061 -28.80064 1.67996 2.12515 -28.95548 1013.22600
|
|
1075.0000 -30.29820 -28.83689 1.46130 2.05883 -29.34067 751.52543
|
|
1080.0000 -30.79189 -29.40643 1.38546 2.03669 -29.46928 718.67472
|
|
1085.0000 -30.77629 -29.01687 1.75942 2.11543 -29.01193 901.31183
|
|
1090.0000 -30.30254 -28.76143 1.54111 2.12672 -28.94636 905.51394
|
|
1095.0000 -31.34974 -29.69022 1.65952 2.08175 -29.20756 893.55547
|
|
1100.0000 -31.42862 -30.02090 1.40772 1.92649 -30.10945 765.68198
|
|
1105.0000 -30.72750 -29.59974 1.12776 1.97624 -29.82044 812.40621
|
|
1110.0000 -31.68139 -29.68230 1.99909 1.99910 -29.68767 886.54807
|
|
1115.0000 -30.93961 -29.17575 1.76385 1.99708 -29.69940 847.42487
|
|
1120.0000 -31.10260 -29.66389 1.43871 1.98595 -29.76407 762.78534
|
|
1125.0000 -31.48736 -30.13931 1.34804 1.92912 -30.09418 760.78738
|
|
1130.0000 -30.98248 -29.62641 1.35607 1.94465 -30.00396 764.87599
|
|
1135.0000 -31.14441 -29.50567 1.63874 2.01799 -29.57795 847.42802
|
|
1140.0000 -31.31249 -29.07626 2.23623 2.05052 -29.38896 902.66870
|
|
1145.0000 -31.16876 -29.56585 1.60291 2.00123 -29.67528 796.48653
|
|
1150.0000 -31.48276 -29.85683 1.62593 1.95942 -29.91817 662.16518
|
|
1155.0000 -30.75784 -29.78541 0.97243 2.00707 -29.64133 846.19840
|
|
1160.0000 -31.25791 -28.90498 2.35293 2.10338 -29.08191 983.35952
|
|
1165.0000 -30.75496 -28.83065 1.92432 2.13926 -28.87348 979.25796
|
|
1170.0000 -30.89148 -29.49338 1.39810 2.07602 -29.24084 894.24163
|
|
1175.0000 -30.82600 -29.56766 1.25834 2.06846 -29.28477 839.97502
|
|
1180.0000 -30.81721 -29.84168 0.97552 2.02272 -29.55044 866.90158
|
|
1185.0000 -31.10845 -29.81211 1.29633 1.99359 -29.71964 872.01897
|
|
1190.0000 -31.34705 -29.76554 1.58151 1.97490 -29.82823 840.77700
|
|
1195.0000 -31.83964 -29.99727 1.84237 2.03021 -29.50692 878.22150
|
|
1200.0000 -31.86788 -29.95836 1.90952 1.91727 -30.16299 759.80247
|
|
1205.0000 -31.14959 -29.93210 1.21749 1.94516 -30.00098 780.08023
|
|
1210.0000 -31.68646 -30.17369 1.51277 1.92972 -30.09069 760.28464
|
|
1215.0000 -31.56665 -30.25631 1.31034 1.87645 -30.40010 700.06462
|
|
1220.0000 -31.02066 -29.60510 1.41555 1.93838 -30.04034 777.85966
|
|
1225.0000 -30.77046 -29.47292 1.29753 2.04096 -29.44448 923.40470
|
|
1230.0000 -30.68575 -28.88783 1.79793 2.06076 -29.32950 907.69536
|
|
1235.0000 -31.70539 -30.32579 1.37960 1.99375 -29.71873 828.90299
|
|
1240.0000 -30.60565 -29.11127 1.49438 1.99493 -29.71189 805.26641
|
|
1245.0000 -30.77359 -29.08958 1.68401 2.11050 -29.04056 941.26654
|
|
1250.0000 -30.09944 -28.39031 1.70913 2.16813 -28.70581 981.62174
|
|
MELTING PROCESS: loop number 6 T-loop= 899.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 899.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.64397 1.20570 -1.08975
|
|
force_rgl> df(natom) -2.49931 -0.31568 -0.31722
|
|
1255.0000 -30.54065 -28.74709 1.79356 2.25335 -28.21077 1035.35249
|
|
1260.0000 -30.55071 -28.69434 1.85637 2.13103 -28.92131 882.46489
|
|
1265.0000 -30.82225 -29.02804 1.79421 2.12777 -28.94023 837.85150
|
|
1270.0000 -30.66902 -29.23257 1.43645 2.05031 -29.39019 855.54450
|
|
1275.0000 -30.40583 -29.06377 1.34206 2.08166 -29.20806 890.99943
|
|
1280.0000 -31.23362 -29.00119 2.23243 2.08331 -29.19851 814.83992
|
|
1285.0000 -31.10450 -29.14339 1.96111 2.01499 -29.59534 927.77633
|
|
1290.0000 -30.95166 -29.04745 1.90420 2.10968 -29.04531 907.20468
|
|
1295.0000 -31.53197 -29.58800 1.94398 2.03364 -29.48699 889.46283
|
|
1300.0000 -30.28846 -28.65093 1.63753 2.12893 -28.93348 939.32679
|
|
1305.0000 -30.60630 -28.69635 1.90995 2.17960 -28.63918 946.01701
|
|
1310.0000 -30.11215 -28.94992 1.16223 2.18064 -28.63314 1008.26495
|
|
1315.0000 -30.81556 -29.77236 1.04320 2.14613 -28.83358 931.40228
|
|
1320.0000 -31.45917 -29.52197 1.93720 2.03057 -29.50484 817.31325
|
|
1325.0000 -31.78285 -30.33561 1.44724 1.96272 -29.89897 800.14163
|
|
1330.0000 -31.34163 -29.82291 1.51873 1.94419 -30.00663 795.22964
|
|
1335.0000 -31.32849 -30.26166 1.06683 1.92875 -30.09629 785.65461
|
|
1340.0000 -31.12329 -29.53410 1.58919 1.95007 -29.97245 834.73779
|
|
1345.0000 -31.30290 -29.58846 1.71444 1.95943 -29.91807 753.40775
|
|
1350.0000 -31.27093 -29.52365 1.74728 2.11391 -29.02073 975.57317
|
|
1355.0000 -30.43673 -28.77848 1.65825 2.18967 -28.58068 993.55565
|
|
1360.0000 -30.30189 -28.86942 1.43246 2.13038 -28.92506 904.16312
|
|
1365.0000 -31.25129 -29.43453 1.81676 2.07350 -29.25546 905.01477
|
|
1370.0000 -31.31575 -29.33139 1.98436 2.00427 -29.65761 859.97506
|
|
1375.0000 -29.96678 -28.74350 1.22329 2.05945 -29.33712 924.11736
|
|
1380.0000 -29.83539 -28.02576 1.80963 2.19511 -28.54906 1044.82711
|
|
1385.0000 -30.69752 -28.95995 1.73757 2.15970 -28.75477 1055.43124
|
|
1390.0000 -30.04938 -28.84244 1.20693 2.07958 -29.22018 902.85682
|
|
1395.0000 -31.00127 -29.55290 1.44837 2.12030 -28.98363 975.53052
|
|
1400.0000 -31.69810 -29.94970 1.74840 1.94565 -29.99812 783.21509
|
|
1405.0000 -30.46677 -28.83802 1.62875 2.00995 -29.62461 860.37358
|
|
1410.0000 -30.98316 -28.03104 2.95212 2.15431 -28.78609 1022.22731
|
|
1415.0000 -30.48114 -28.40238 2.07875 2.16000 -28.75300 991.03156
|
|
1420.0000 -30.21189 -27.97980 2.23208 2.22813 -28.35727 985.76744
|
|
1425.0000 -30.77021 -28.25774 2.51247 2.19779 -28.53348 1103.06862
|
|
1430.0000 -30.75483 -29.21420 1.54064 2.15644 -28.77371 1077.20041
|
|
1435.0000 -30.45780 -29.04545 1.41235 2.07797 -29.22953 827.14425
|
|
1440.0000 -30.43975 -29.01106 1.42869 2.09329 -29.14055 969.25711
|
|
1445.0000 -30.95006 -29.27633 1.67373 2.10539 -29.07023 937.98964
|
|
1450.0000 -30.72337 -29.00835 1.71502 2.09423 -29.13504 934.73446
|
|
1455.0000 -30.83737 -29.53614 1.30123 2.04574 -29.41672 965.04190
|
|
1460.0000 -30.48124 -29.11238 1.36887 2.06385 -29.31155 833.25392
|
|
1465.0000 -31.23530 -29.66610 1.56920 2.05664 -29.35341 865.86213
|
|
1470.0000 -31.28700 -28.99365 2.29335 2.04442 -29.42439 866.61886
|
|
1475.0000 -30.16836 -28.59189 1.57647 2.20603 -28.48567 1005.59896
|
|
1480.0000 -29.90458 -28.71975 1.18483 2.19444 -28.55300 989.99648
|
|
1485.0000 -30.50271 -28.81688 1.68583 2.18514 -28.60702 904.66981
|
|
1490.0000 -30.78847 -29.20929 1.57917 2.06200 -29.32227 848.99666
|
|
1495.0000 -31.30610 -29.37077 1.93533 2.03597 -29.47349 913.82079
|
|
1500.0000 -31.06004 -29.46323 1.59681 2.00618 -29.64652 843.58032
|
|
MELTING PROCESS: loop number 7 T-loop= 999.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 999.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.28201 -0.68144 -2.10512
|
|
force_rgl> df(natom) 0.76957 -2.29376 1.70393
|
|
1505.0000 -31.34272 -29.34159 2.00113 2.01492 -29.59575 910.72665
|
|
1510.0000 -30.92047 -29.14363 1.77684 2.05514 -29.36213 899.02223
|
|
1515.0000 -30.15649 -28.87854 1.27794 2.14487 -28.84093 1018.04826
|
|
1520.0000 -30.31192 -28.47908 1.83285 2.17859 -28.64506 1022.76670
|
|
1525.0000 -30.44583 -27.94474 2.50110 2.23640 -28.30921 1092.42945
|
|
1530.0000 -30.04652 -28.10362 1.94291 2.25628 -28.19374 1210.00073
|
|
1535.0000 -30.42396 -28.45532 1.96864 2.23134 -28.33860 1053.20617
|
|
1540.0000 -30.85068 -29.32657 1.52412 2.10244 -29.08739 1004.31431
|
|
1545.0000 -31.25103 -28.94435 2.30668 2.12206 -28.97342 984.53445
|
|
1550.0000 -30.52573 -28.76050 1.76523 2.14150 -28.86047 1015.03130
|
|
1555.0000 -30.88413 -29.19721 1.68693 2.10802 -29.05498 969.93391
|
|
1560.0000 -30.96975 -28.15177 2.81797 2.14508 -28.83966 1071.51991
|
|
1565.0000 -30.24336 -28.53606 1.70731 2.19894 -28.52685 1057.81250
|
|
1570.0000 -29.76308 -28.43796 1.32512 2.18954 -28.58146 1017.56825
|
|
1575.0000 -30.36638 -28.59578 1.77059 2.16556 -28.72070 947.46878
|
|
1580.0000 -31.41142 -29.79198 1.61944 2.16479 -28.72522 1045.22688
|
|
1585.0000 -31.61913 -30.53557 1.08355 1.94478 -30.00320 774.09794
|
|
1590.0000 -31.87363 -29.44412 2.42950 1.90058 -30.25992 731.80822
|
|
1595.0000 -30.83576 -28.53302 2.30274 2.03935 -29.45388 966.39536
|
|
1600.0000 -29.95080 -28.66684 1.28396 2.16099 -28.74725 975.28669
|
|
1605.0000 -30.33156 -28.88077 1.45080 2.10641 -29.06430 882.81895
|
|
1610.0000 -30.95014 -29.17764 1.77250 2.14694 -28.82888 1068.12459
|
|
1615.0000 -30.38533 -28.46625 1.91909 2.11418 -29.01917 1022.41330
|
|
1620.0000 -31.46908 -29.90456 1.56453 2.02509 -29.53668 784.07280
|
|
1625.0000 -30.74567 -28.81982 1.92584 1.99629 -29.70395 758.38305
|
|
1630.0000 -30.68806 -28.89408 1.79398 2.09363 -29.13857 877.14730
|
|
1635.0000 -30.98174 -28.67522 2.30651 2.16665 -28.71438 951.08592
|
|
1640.0000 -30.24322 -28.02023 2.22299 2.22985 -28.34729 955.62122
|
|
1645.0000 -30.03552 -27.76283 2.27269 2.25977 -28.17347 1082.32141
|
|
1650.0000 -29.47283 -27.92462 1.54820 2.37779 -27.48791 1153.57312
|
|
1655.0000 -30.88773 -28.65423 2.23350 2.17886 -28.64345 1022.43158
|
|
1660.0000 -30.53557 -28.38880 2.14677 2.20670 -28.48175 1026.01548
|
|
1665.0000 -30.82014 -29.73795 1.08220 2.15793 -28.76507 895.69952
|
|
1670.0000 -30.65330 -28.53202 2.12129 2.13915 -28.87415 916.28671
|
|
1675.0000 -30.79258 -28.98984 1.80275 2.24126 -28.28101 1061.87752
|
|
1680.0000 -29.75281 -27.44890 2.30390 2.17198 -28.68343 981.23432
|
|
1685.0000 -29.88100 -27.93252 1.94848 2.30388 -27.91727 1024.40865
|
|
1690.0000 -29.76690 -27.57607 2.19083 2.27646 -28.07653 1113.00586
|
|
1695.0000 -29.73618 -27.76545 1.97073 2.33925 -27.71178 1224.96316
|
|
1700.0000 -30.63777 -28.90945 1.72831 2.16118 -28.74615 980.72986
|
|
1705.0000 -31.02953 -28.95477 2.07476 2.13816 -28.87987 964.71932
|
|
1710.0000 -31.14006 -29.67303 1.46703 2.06684 -29.29419 924.09685
|
|
1715.0000 -31.67943 -30.39368 1.28575 1.87584 -30.40364 672.03551
|
|
1720.0000 -31.02407 -29.82008 1.20399 1.91170 -30.19536 669.51879
|
|
1725.0000 -30.54560 -29.07040 1.47520 2.02266 -29.55078 851.42883
|
|
1730.0000 -30.21795 -28.40124 1.81671 2.16224 -28.73999 1049.09776
|
|
1735.0000 -30.95208 -29.09875 1.85333 2.11106 -29.03728 984.35112
|
|
1740.0000 -30.94523 -29.13394 1.81129 2.22450 -28.37834 1085.13780
|
|
1745.0000 -30.68281 -28.52068 2.16213 2.16433 -28.72789 1088.54048
|
|
1750.0000 -31.15354 -29.04399 2.10955 2.15903 -28.75864 1022.38851
|
|
MELTING PROCESS: loop number 8 T-loop= 1099.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1099.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.90902 0.55311 0.97720
|
|
force_rgl> df(natom) 0.35497 -0.97930 -2.32406
|
|
1755.0000 -30.23339 -28.18444 2.04894 2.24085 -28.28341 1121.42515
|
|
1760.0000 -30.17971 -27.65370 2.52600 2.25895 -28.17824 1133.63116
|
|
1765.0000 -29.36084 -27.26240 2.09844 2.33092 -27.76019 1195.20783
|
|
1770.0000 -29.45255 -27.62549 1.82706 2.41918 -27.24748 1363.70852
|
|
1775.0000 -30.67945 -27.53959 3.13986 2.40749 -27.31539 1231.36727
|
|
1780.0000 -29.78770 -27.46199 2.32571 2.34949 -27.65233 1207.86645
|
|
1785.0000 -29.31002 -27.43000 1.88002 2.33343 -27.74559 1138.79875
|
|
1790.0000 -31.16070 -29.07645 2.08425 2.22222 -28.39162 1065.63796
|
|
1795.0000 -29.90516 -28.42572 1.47944 2.07305 -29.25811 898.96816
|
|
1800.0000 -30.11853 -28.85594 1.26259 2.21370 -28.44111 986.17199
|
|
1805.0000 -30.01065 -28.26856 1.74210 2.12663 -28.94684 924.37238
|
|
1810.0000 -29.85957 -27.58076 2.27880 2.33571 -27.73234 1227.20964
|
|
1815.0000 -28.71343 -27.00720 1.70623 2.41266 -27.28538 1228.79282
|
|
1820.0000 -30.15017 -27.27357 2.87661 2.38324 -27.45625 1200.21526
|
|
1825.0000 -29.99917 -28.09186 1.90730 2.33182 -27.75495 1250.11512
|
|
1830.0000 -30.42539 -28.78947 1.63592 2.18042 -28.63440 1002.68193
|
|
1835.0000 -30.23659 -27.27682 2.95977 2.31649 -27.84401 1089.59209
|
|
1840.0000 -30.47425 -28.93872 1.53553 2.26092 -28.16680 1100.19823
|
|
1845.0000 -29.23483 -27.16684 2.06799 2.26176 -28.16191 1054.46615
|
|
1850.0000 -30.30696 -27.58189 2.72507 2.43619 -27.14871 1374.25442
|
|
1855.0000 -29.57996 -27.71326 1.86670 2.39240 -27.40307 1319.86605
|
|
1860.0000 -29.85657 -28.26800 1.58858 2.24302 -28.27078 1046.98343
|
|
1865.0000 -29.84818 -27.93969 1.90849 2.22789 -28.35867 1010.41741
|
|
1870.0000 -30.21223 -27.56211 2.65011 2.30742 -27.89668 1143.73121
|
|
1875.0000 -30.64446 -28.17745 2.46701 2.27142 -28.10581 1243.00881
|
|
1880.0000 -29.71265 -26.67974 3.03291 2.43851 -27.13521 1383.84478
|
|
1885.0000 -29.75711 -27.27784 2.47927 2.48407 -26.87055 1393.62194
|
|
1890.0000 -30.11950 -28.04351 2.07599 2.35000 -27.64936 1296.78265
|
|
1895.0000 -29.81945 -27.98429 1.83516 2.30340 -27.92003 1183.72173
|
|
1900.0000 -29.75841 -27.64294 2.11548 2.23949 -28.29129 1120.62812
|
|
1905.0000 -29.86634 -27.58373 2.28261 2.31798 -27.83537 1228.95230
|
|
1910.0000 -29.94849 -27.57183 2.37667 2.27831 -28.06577 1099.33664
|
|
1915.0000 -29.47365 -26.45911 3.01454 2.41323 -27.28209 1327.36561
|
|
1920.0000 -30.26107 -28.03528 2.22579 2.33530 -27.73472 1196.13231
|
|
1925.0000 -30.76380 -28.04683 2.71696 2.26868 -28.12174 1025.53087
|
|
1930.0000 -29.95756 -28.18398 1.77358 2.24050 -28.28544 1051.44569
|
|
1935.0000 -30.60996 -28.57710 2.03286 2.18487 -28.60855 893.77622
|
|
1940.0000 -30.47563 -28.99958 1.47605 2.22599 -28.36973 1027.65532
|
|
1945.0000 -29.57656 -27.62677 1.94979 2.20245 -28.50642 1024.93071
|
|
1950.0000 -29.60293 -27.81145 1.79148 2.32455 -27.79722 1121.86167
|
|
1955.0000 -29.47718 -26.91322 2.56396 2.38924 -27.42141 1230.03581
|
|
1960.0000 -29.84621 -27.92553 1.92069 2.35924 -27.59569 1187.00922
|
|
1965.0000 -29.68784 -27.99312 1.69472 2.30642 -27.90250 1232.70187
|
|
1970.0000 -29.83616 -27.77576 2.06040 2.36500 -27.56223 1140.44152
|
|
1975.0000 -30.00204 -28.25413 1.74791 2.29814 -27.95062 1030.11444
|
|
1980.0000 -30.49200 -28.34198 2.15002 2.28103 -28.04996 1102.64896
|
|
1985.0000 -29.45382 -27.06272 2.39110 2.29370 -27.97636 1082.95221
|
|
1990.0000 -29.90036 -27.50902 2.39134 2.34502 -27.67830 1156.60759
|
|
1995.0000 -28.97549 -27.32675 1.64874 2.40936 -27.30454 1261.30510
|
|
2000.0000 -29.30574 -27.60312 1.70262 2.37735 -27.49047 1112.88330
|
|
MELTING PROCESS: loop number 9 T-loop= 1199.0000000000000
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|
main_MD> interactions number 9 at Temperature= 1199.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.06058 4.12809 -2.18306
|
|
force_rgl> df(natom) -3.60709 0.19508 -2.44881
|
|
2005.0000 -29.73801 -27.66725 2.07076 2.37226 -27.52003 1207.52196
|
|
2010.0000 -30.41419 -28.68380 1.73039 2.29030 -27.99612 1105.82368
|
|
2015.0000 -29.28631 -27.73367 1.55264 2.25796 -28.18401 1044.45784
|
|
2020.0000 -29.37241 -27.30656 2.06585 2.33394 -27.74265 1133.55498
|
|
2025.0000 -29.73289 -27.85711 1.87578 2.40382 -27.33675 1248.92095
|
|
2030.0000 -29.26806 -26.02894 3.23912 2.45541 -27.03702 1223.59740
|
|
2035.0000 -29.24743 -25.96476 3.28267 2.63424 -25.99824 1592.04091
|
|
2040.0000 -29.68425 -26.79800 2.88624 2.59174 -26.24512 1474.52040
|
|
2045.0000 -30.51655 -28.19190 2.32466 2.40175 -27.34878 1269.26296
|
|
2050.0000 -31.01406 -28.94902 2.06504 2.19462 -28.55190 1018.26979
|
|
2055.0000 -30.71811 -28.42619 2.29192 2.29096 -27.99229 1184.48828
|
|
2060.0000 -30.57091 -28.41241 2.15850 2.17817 -28.64750 963.55739
|
|
2065.0000 -30.48324 -29.28572 1.19752 2.21261 -28.44743 1061.33854
|
|
2070.0000 -29.64647 -27.51091 2.13557 2.22103 -28.39850 1092.48245
|
|
2075.0000 -30.61575 -28.58195 2.03380 2.26402 -28.14877 1069.24320
|
|
2080.0000 -30.49908 -28.49813 2.00095 2.21398 -28.43944 1033.09415
|
|
2085.0000 -30.03199 -28.28833 1.74367 2.13446 -28.90136 903.81189
|
|
2090.0000 -30.46510 -28.41561 2.04949 2.22164 -28.39495 1128.94995
|
|
2095.0000 -30.48753 -28.40064 2.08689 2.25286 -28.21361 1102.20279
|
|
2100.0000 -29.66924 -27.65795 2.01129 2.29804 -27.95117 1148.43380
|
|
2105.0000 -29.39271 -27.23158 2.16113 2.29772 -27.95301 1155.93719
|
|
2110.0000 -29.54026 -27.88801 1.65225 2.41252 -27.28620 1273.07925
|
|
2115.0000 -29.72104 -27.34711 2.37393 2.47457 -26.92576 1362.19434
|
|
2120.0000 -29.99147 -27.09965 2.89182 2.44341 -27.10675 1437.79466
|
|
2125.0000 -29.34263 -27.19800 2.14463 2.41624 -27.26456 1331.79812
|
|
2130.0000 -31.17245 -29.26732 1.90513 2.24652 -28.25045 1105.21346
|
|
2135.0000 -30.31496 -28.24199 2.07297 2.23541 -28.31496 1097.73252
|
|
2140.0000 -30.44156 -28.25519 2.18637 2.22730 -28.36208 1032.73239
|
|
2145.0000 -30.05021 -28.16224 1.88797 2.31994 -27.82399 1242.75557
|
|
2150.0000 -29.87011 -27.50630 2.36382 2.26107 -28.16595 1205.65131
|
|
2155.0000 -30.62177 -28.59421 2.02756 2.38406 -27.45153 1377.20101
|
|
2160.0000 -29.10188 -26.25538 2.84650 2.37218 -27.52050 1248.14849
|
|
2165.0000 -29.42933 -27.56412 1.86522 2.42690 -27.20268 1234.09190
|
|
2170.0000 -29.39958 -27.43830 1.96128 2.27561 -28.08148 1134.02357
|
|
2175.0000 -29.45399 -27.42399 2.03000 2.34412 -27.68352 1292.61665
|
|
2180.0000 -29.87460 -27.38773 2.48687 2.39938 -27.36252 1311.82667
|
|
2185.0000 -30.03523 -27.88394 2.15130 2.28334 -28.03659 1031.53832
|
|
2190.0000 -29.84968 -28.01045 1.83923 2.26233 -28.15863 1061.85803
|
|
2195.0000 -30.56086 -28.15853 2.40233 2.30503 -27.91055 1107.59222
|
|
2200.0000 -29.48033 -26.35530 3.12503 2.37842 -27.48429 1283.46825
|
|
2205.0000 -29.02012 -27.50140 1.51872 2.43047 -27.18190 1165.41940
|
|
2210.0000 -29.75140 -27.75923 1.99217 2.27537 -28.08285 1085.65379
|
|
2215.0000 -30.32429 -28.27953 2.04475 2.29882 -27.94665 1113.21854
|
|
2220.0000 -29.41591 -27.71622 1.69969 2.38830 -27.42686 1228.87869
|
|
2225.0000 -29.75474 -27.64310 2.11163 2.26962 -28.11625 1111.73540
|
|
2230.0000 -30.50580 -28.14633 2.35947 2.30438 -27.91437 1185.24024
|
|
2235.0000 -30.85367 -28.23714 2.61653 2.26501 -28.14307 1183.28854
|
|
2240.0000 -29.85377 -27.94651 1.90726 2.27837 -28.06543 1108.00616
|
|
2245.0000 -29.99069 -28.45050 1.54020 2.23736 -28.30366 1021.96265
|
|
2250.0000 -29.61358 -27.44946 2.16412 2.27120 -28.10711 1159.61413
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 0 [min], 16.3218769 [s].
|
|
main_MD> Deallocating global variables
|