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_89.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 = 89 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: 89 8900
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main_MD> Size of nv and nvoiz: 89 8900
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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 = 89
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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> 8.5112832643365235E-002 -2.2928890940551078E-002 6.9774922879850626E-002 initial drift of cluster / NP1 for coalescence
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init> 0.30369963630139302 0.31862466586641414 0.30577168193007837 scaling for velocity /for coalescence NP1
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init.f90 > facguy = 1.8188779649517984E-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) 0.86825 1.53251 1.37601
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force_rgl> df(natom) -1.72745 -0.79877 1.03968
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preparo> THERMALIZATION PROCESS AT 286.80478451775986
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preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
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5000 -226.45290107576477 3.4235113769934888 -229.87641245275827 3.8089234845576183E-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= 387.00000000000000
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main_MD> interactions number 1 at Temperature= 387.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.83218 -0.67189 -0.73240
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force_rgl> df(natom) 0.23676 0.36250 0.30572
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5.0000 -229.15468 -225.32732 3.82737 1.82783 -226.11417 315.47912
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10.0000 -228.38534 -224.17072 4.21461 1.92399 -224.19729 390.28446
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15.0000 -229.15283 -223.95453 5.19830 1.92634 -224.15034 390.67062
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20.0000 -228.74722 -225.53283 3.21439 1.91402 -224.39597 381.15092
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25.0000 -228.93638 -224.30738 4.62901 1.88854 -224.90388 358.21062
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30.0000 -227.67710 -223.96695 3.71015 1.92244 -224.22814 389.11812
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35.0000 -228.59351 -223.68631 4.90720 1.95251 -223.62870 407.41556
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40.0000 -228.76231 -224.78753 3.97478 1.95324 -223.61414 410.50985
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45.0000 -228.92104 -223.99279 4.92825 1.90179 -224.63978 372.34468
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50.0000 -227.61342 -223.74188 3.87154 1.96784 -223.32317 421.66912
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55.0000 -229.17912 -224.70867 4.47045 1.92262 -224.22466 389.85583
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60.0000 -228.35203 -224.23300 4.11903 1.89374 -224.80022 368.68748
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65.0000 -228.75394 -223.52402 5.22992 1.93233 -224.03110 400.24670
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70.0000 -228.87744 -224.08165 4.79579 1.93072 -224.06319 400.00298
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75.0000 -228.81825 -223.98583 4.83242 1.93289 -224.01990 395.68697
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80.0000 -228.67214 -224.34869 4.32345 1.95283 -223.62233 414.13785
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85.0000 -228.49360 -224.36746 4.12614 1.90837 -224.50865 379.57705
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90.0000 -229.00034 -224.61201 4.38833 1.91111 -224.45407 376.85569
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95.0000 -228.17814 -224.38413 3.79401 1.91436 -224.38927 385.94742
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100.0000 -228.63412 -224.41101 4.22311 1.91396 -224.39715 376.97846
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105.0000 -229.17180 -224.28623 4.88557 1.90907 -224.49464 377.70565
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110.0000 -229.29942 -224.70338 4.59604 1.92924 -224.09262 404.47858
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115.0000 -228.67053 -224.18300 4.48753 1.91891 -224.29859 386.72736
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120.0000 -228.83397 -224.89147 3.94251 1.92339 -224.20925 388.07275
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125.0000 -229.04716 -224.93526 4.11190 1.89712 -224.73291 364.28952
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130.0000 -228.81855 -224.57326 4.24529 1.90892 -224.49768 374.12996
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135.0000 -228.90172 -224.68880 4.21291 1.90507 -224.57448 376.71221
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140.0000 -228.81610 -224.96991 3.84619 1.87923 -225.08948 358.13227
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145.0000 -229.44586 -225.48612 3.95974 1.88835 -224.90778 365.78778
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150.0000 -229.42182 -225.03448 4.38734 1.88403 -224.99383 363.62715
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155.0000 -228.67720 -224.45822 4.21898 1.88736 -224.92751 366.63751
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160.0000 -227.89099 -223.12835 4.76264 1.92612 -224.15477 396.13305
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165.0000 -229.42868 -225.19917 4.22951 1.92876 -224.10222 398.56390
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170.0000 -228.54197 -224.36314 4.17883 1.89368 -224.80155 372.10461
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175.0000 -228.55711 -224.14502 4.41209 1.92002 -224.27642 391.07191
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180.0000 -229.05989 -224.61553 4.44435 1.90576 -224.56061 380.16053
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185.0000 -228.55711 -224.53842 4.01869 1.88781 -224.91855 367.22067
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190.0000 -228.91230 -224.06818 4.84412 1.89535 -224.76811 369.82754
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195.0000 -228.57772 -224.08176 4.49596 1.91342 -224.40806 385.88357
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200.0000 -228.62812 -223.68361 4.94451 1.93215 -224.03453 395.76758
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205.0000 -229.56931 -224.70029 4.86903 1.94351 -223.80810 409.25895
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210.0000 -228.14697 -223.81755 4.32941 1.93439 -223.98991 399.64224
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215.0000 -228.36940 -223.34993 5.01947 1.94687 -223.74118 412.59287
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220.0000 -228.64641 -224.58747 4.05893 1.91801 -224.31657 388.37888
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225.0000 -229.43435 -224.82898 4.60538 1.89726 -224.73016 373.67856
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230.0000 -229.18109 -225.00160 4.17950 1.90622 -224.55152 379.01625
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235.0000 -228.14177 -223.65910 4.48268 1.91702 -224.33621 392.52799
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240.0000 -228.96753 -224.64172 4.32581 1.92207 -224.23551 387.02584
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245.0000 -229.01310 -224.40394 4.60915 1.90404 -224.59494 379.71796
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250.0000 -228.17110 -223.13157 5.03953 1.94429 -223.79271 414.53453
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MELTING PROCESS: loop number 2 T-loop= 487.00000000000000
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main_MD> interactions number 2 at Temperature= 487.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -0.45317 -1.51135 -1.26631
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force_rgl> df(natom) 2.06912 0.46507 2.34118
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255.0000 -227.21966 -221.48913 5.73053 2.01767 -222.32988 466.99974
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260.0000 -226.45453 -220.82186 5.63267 2.09019 -220.88417 504.49487
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265.0000 -226.28323 -220.50400 5.77922 2.11478 -220.39414 522.69907
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270.0000 -226.59695 -220.84326 5.75369 2.09718 -220.74485 506.10094
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275.0000 -226.59820 -221.06821 5.52999 2.09543 -220.77990 517.63926
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280.0000 -227.53936 -221.69548 5.84388 2.04830 -221.71938 496.32614
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285.0000 -228.01322 -222.51244 5.50078 2.01437 -222.39569 476.44628
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290.0000 -228.17713 -221.95286 6.22427 2.02835 -222.11693 492.00147
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295.0000 -227.17487 -220.55513 6.61974 2.05563 -221.57319 500.74494
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300.0000 -226.19603 -220.78686 5.40917 2.10282 -220.63251 517.76835
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305.0000 -225.91056 -219.97225 5.93830 2.12650 -220.16045 528.66578
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310.0000 -226.20535 -220.10871 6.09664 2.14074 -219.87656 516.33329
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315.0000 -227.11270 -222.19242 4.92028 2.07455 -221.19612 484.50775
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320.0000 -226.82609 -221.17946 5.64664 2.06004 -221.48518 474.57484
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325.0000 -227.81954 -222.29659 5.52295 2.04753 -221.73467 484.70380
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330.0000 -227.09272 -222.01197 5.08075 2.02977 -222.08870 479.60959
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335.0000 -228.36974 -222.50982 5.85992 2.04025 -221.87976 481.38038
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340.0000 -227.41415 -221.85493 5.55922 2.03855 -221.91359 477.24398
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345.0000 -227.90262 -222.59734 5.30528 2.02278 -222.22805 466.91676
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350.0000 -226.80064 -220.33821 6.46242 2.05002 -221.68494 489.84811
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355.0000 -226.77788 -221.17366 5.60422 2.06969 -221.29289 496.00175
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360.0000 -226.75529 -221.21406 5.54124 2.03995 -221.88573 470.50955
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365.0000 -226.13060 -220.31949 5.81111 2.09549 -220.77866 509.31799
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370.0000 -227.19756 -220.80162 6.39595 2.09392 -220.80981 513.68967
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375.0000 -228.25339 -222.12441 6.12898 2.06430 -221.40037 502.30985
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380.0000 -227.00476 -222.23155 4.77321 2.01012 -222.48030 468.97943
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385.0000 -227.88488 -222.78037 5.10451 2.00726 -222.53747 462.52352
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390.0000 -227.83806 -223.15719 4.68086 1.98863 -222.90883 447.36879
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395.0000 -227.68299 -221.89024 5.79275 1.99307 -222.82022 456.92661
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400.0000 -228.66655 -223.67177 4.99477 2.01295 -222.42400 468.26240
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405.0000 -227.38991 -222.32354 5.06637 1.99490 -222.78367 451.03688
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410.0000 -227.66242 -222.14441 5.51801 2.03187 -222.04689 456.27082
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415.0000 -228.22066 -222.62364 5.59702 2.00882 -222.50633 460.37794
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420.0000 -227.30154 -221.77628 5.52526 2.01338 -222.41543 452.94352
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425.0000 -227.85289 -222.65391 5.19897 2.03640 -221.95642 475.08409
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430.0000 -227.77362 -221.94016 5.83346 2.02413 -222.20118 467.40409
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435.0000 -227.45828 -222.40482 5.05346 2.04063 -221.87210 475.19222
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440.0000 -227.06742 -221.21858 5.84884 2.03341 -222.01618 478.36072
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445.0000 -227.67370 -222.40741 5.26629 2.02580 -222.16781 477.26524
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450.0000 -227.50864 -222.04746 5.46118 2.03278 -222.02869 477.79897
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455.0000 -227.56098 -221.32431 6.23668 2.03959 -221.89293 482.80491
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460.0000 -227.02768 -221.19002 5.83766 2.07505 -221.18606 513.51077
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465.0000 -227.64376 -222.07186 5.57190 2.04676 -221.74990 474.27122
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470.0000 -227.99184 -222.80721 5.18463 2.02018 -222.27980 463.48245
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475.0000 -227.48387 -221.84312 5.64075 2.01653 -222.35261 461.53622
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480.0000 -226.82860 -221.70916 5.11944 2.05851 -221.51572 477.52741
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485.0000 -226.73536 -219.80625 6.92912 2.09403 -220.80764 493.62473
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490.0000 -227.05147 -221.73408 5.31739 2.08466 -220.99457 496.71019
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495.0000 -227.00715 -221.57511 5.43204 2.05336 -221.61839 476.10520
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500.0000 -226.97329 -221.36228 5.61100 2.04994 -221.68669 486.38872
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MELTING PROCESS: loop number 3 T-loop= 587.00000000000000
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main_MD> interactions number 3 at Temperature= 587.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -1.94423 -0.03214 -0.31084
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force_rgl> df(natom) 1.32265 -0.17774 -2.62143
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505.0000 -226.28170 -220.17902 6.10268 2.10276 -220.63365 532.04078
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510.0000 -226.69775 -221.03259 5.66516 2.13333 -220.02437 554.19789
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515.0000 -224.81439 -218.23863 6.57576 2.16107 -219.47129 573.17699
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520.0000 -225.18449 -218.16579 7.01869 2.22568 -218.18339 594.94854
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525.0000 -224.43681 -216.66016 7.77665 2.25521 -217.59483 590.57453
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530.0000 -223.92672 -216.73213 7.19459 2.26483 -217.40295 594.16407
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535.0000 -223.76832 -217.14238 6.62594 2.32268 -216.24985 622.49973
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540.0000 -224.11470 -217.87882 6.23588 2.27214 -217.25737 584.78910
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545.0000 -224.15872 -216.98587 7.17285 2.26914 -217.31712 587.68283
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550.0000 -224.77864 -217.81135 6.96729 2.30135 -216.67501 623.99651
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555.0000 -226.10667 -219.57070 6.53597 2.18494 -218.99546 569.35431
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560.0000 -226.69224 -220.37486 6.31738 2.15866 -219.51944 575.80852
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565.0000 -226.33183 -218.85908 7.47275 2.17597 -219.17430 586.52287
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570.0000 -225.65602 -218.75943 6.89658 2.17517 -219.19021 587.71098
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575.0000 -226.20404 -220.06605 6.13799 2.16092 -219.47439 575.56030
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580.0000 -226.77471 -219.66031 7.11440 2.12564 -220.17767 551.83084
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585.0000 -226.16499 -218.96607 7.19892 2.16715 -219.35015 582.84357
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590.0000 -225.92599 -219.88607 6.03991 2.14980 -219.69597 566.14181
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595.0000 -225.44117 -219.71963 5.72153 2.15923 -219.50807 556.01606
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600.0000 -226.27667 -220.27698 5.99969 2.16039 -219.48499 571.52220
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605.0000 -226.59700 -219.16746 7.42954 2.16724 -219.34827 581.34342
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610.0000 -226.60326 -219.59346 7.00980 2.16452 -219.40252 576.87069
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615.0000 -225.29549 -218.42891 6.86658 2.18312 -219.03175 587.41240
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620.0000 -225.70178 -218.53298 7.16880 2.21024 -218.49117 601.71655
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625.0000 -224.85541 -218.50370 6.35171 2.23755 -217.94671 619.10496
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630.0000 -224.52961 -217.67483 6.85478 2.22816 -218.13403 598.23163
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635.0000 -222.81948 -216.43688 6.38260 2.28518 -216.99733 615.72737
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640.0000 -223.58196 -217.10320 6.47876 2.29200 -216.86148 605.41935
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645.0000 -224.52604 -218.40520 6.12084 2.22943 -218.10863 554.53744
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650.0000 -224.84127 -217.93970 6.90157 2.24769 -217.74465 584.09201
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655.0000 -223.68760 -217.11820 6.56940 2.25991 -217.50106 605.86384
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660.0000 -224.06706 -215.52076 8.54629 2.33409 -216.02234 626.64401
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665.0000 -224.13070 -218.37774 5.75296 2.29918 -216.71831 592.32928
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670.0000 -224.77150 -219.10634 5.66516 2.20593 -218.57720 537.17973
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675.0000 -223.20017 -215.90974 7.29042 2.25230 -217.65274 579.96597
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680.0000 -222.53072 -214.78330 7.74741 2.36182 -215.46965 624.74228
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685.0000 -222.27544 -215.44095 6.83450 2.35106 -215.68406 630.52801
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690.0000 -222.74821 -214.77899 7.96922 2.39877 -214.73312 668.03413
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695.0000 -222.61438 -215.74326 6.87112 2.37983 -215.11060 639.61140
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700.0000 -223.16806 -216.57587 6.59219 2.35564 -215.59280 639.29667
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705.0000 -223.22554 -216.71843 6.50711 2.27747 -217.15107 590.65314
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710.0000 -224.48978 -217.81143 6.67836 2.24566 -217.78510 573.33786
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715.0000 -223.94370 -216.81718 7.12651 2.27503 -217.19968 590.98797
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720.0000 -223.10421 -216.26779 6.83642 2.30914 -216.51982 598.23387
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725.0000 -223.58908 -216.82641 6.76267 2.32675 -216.16868 608.62448
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730.0000 -224.32955 -216.77039 7.55917 2.27799 -217.14076 588.94243
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735.0000 -224.79028 -217.25553 7.53476 2.28212 -217.05831 604.95781
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740.0000 -223.35159 -217.15769 6.19391 2.28831 -216.93503 601.88268
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745.0000 -223.71576 -217.24369 6.47208 2.28126 -217.07541 567.44089
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750.0000 -223.62731 -217.21276 6.41455 2.27755 -217.14942 594.75549
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MELTING PROCESS: loop number 4 T-loop= 687.00000000000000
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main_MD> interactions number 4 at Temperature= 687.00000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) -2.80048 0.09671 7.25949
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force_rgl> df(natom) -0.06842 1.07076 2.94530
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755.0000 -221.98802 -215.11845 6.86957 2.33855 -215.93356 641.16125
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760.0000 -222.45056 -213.73471 8.71584 2.39581 -214.79206 618.37745
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765.0000 -221.10831 -212.53809 8.57023 2.48541 -213.00603 710.50178
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770.0000 -221.60835 -213.82326 7.78509 2.47490 -213.21553 717.59506
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775.0000 -221.26734 -212.84470 8.42265 2.47909 -213.13191 708.57394
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780.0000 -221.77022 -213.24970 8.52053 2.42919 -214.12661 651.43156
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785.0000 -220.48640 -213.16586 7.32054 2.45503 -213.61164 698.73704
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790.0000 -221.85816 -214.54110 7.31706 2.42562 -214.19791 684.77504
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795.0000 -222.88870 -214.70674 8.18196 2.40543 -214.60019 654.35338
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800.0000 -222.76757 -214.38969 8.37788 2.41773 -214.35513 679.58719
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805.0000 -221.58554 -213.61208 7.97346 2.40817 -214.54564 667.91447
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810.0000 -220.99914 -213.86630 7.13283 2.46317 -213.44939 699.93962
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815.0000 -222.15522 -214.15537 7.99985 2.43424 -214.02595 697.01738
|
|
820.0000 -223.29336 -215.78292 7.51044 2.37894 -215.12828 654.90067
|
|
825.0000 -223.28027 -216.71487 6.56540 2.32972 -216.10950 627.08903
|
|
830.0000 -221.31611 -213.35151 7.96459 2.37609 -215.18511 651.03546
|
|
835.0000 -221.83669 -213.96659 7.87011 2.47090 -213.29526 724.08692
|
|
840.0000 -222.77074 -214.82479 7.94595 2.38541 -214.99942 648.60377
|
|
845.0000 -223.42199 -215.82180 7.60019 2.33635 -215.97730 628.67456
|
|
850.0000 -221.89474 -211.84716 10.04758 2.41981 -214.31365 670.00624
|
|
855.0000 -221.30935 -213.39517 7.91418 2.48393 -213.03538 722.77537
|
|
860.0000 -222.37138 -213.98665 8.38473 2.42957 -214.11915 704.66606
|
|
865.0000 -222.13449 -214.46671 7.66778 2.44840 -213.74377 709.24975
|
|
870.0000 -222.10609 -214.78311 7.32298 2.38929 -214.92198 639.44268
|
|
875.0000 -223.06064 -214.81071 8.24993 2.36579 -215.39054 634.96543
|
|
880.0000 -221.45905 -213.05774 8.40131 2.41429 -214.42370 666.53906
|
|
885.0000 -221.34982 -214.05301 7.29680 2.49642 -212.78652 713.64666
|
|
890.0000 -222.06002 -214.68311 7.37692 2.40666 -214.57578 650.36980
|
|
895.0000 -221.87665 -214.12115 7.75549 2.42781 -214.15406 671.72566
|
|
900.0000 -220.40867 -213.11678 7.29190 2.47399 -213.23371 684.71939
|
|
905.0000 -220.08492 -212.87856 7.20636 2.51464 -212.42324 708.31795
|
|
910.0000 -220.98198 -212.43766 8.54432 2.50519 -212.61166 713.02581
|
|
915.0000 -221.80400 -214.68074 7.12327 2.43046 -214.10136 683.61286
|
|
920.0000 -222.35103 -214.08219 8.26884 2.43787 -213.95365 667.56122
|
|
925.0000 -222.42668 -214.67725 7.74943 2.41007 -214.50783 645.51622
|
|
930.0000 -219.82757 -212.09682 7.73075 2.44631 -213.78541 673.30973
|
|
935.0000 -220.95082 -212.41840 8.53242 2.57665 -211.18719 745.59950
|
|
940.0000 -221.19850 -213.66638 7.53211 2.48271 -213.05984 698.65758
|
|
945.0000 -220.18932 -212.51599 7.67333 2.45512 -213.60970 687.87220
|
|
950.0000 -222.08003 -213.82348 8.25655 2.44077 -213.89589 681.15239
|
|
955.0000 -223.55529 -217.24146 6.31383 2.35032 -215.69886 605.30749
|
|
960.0000 -222.48495 -214.76007 7.72488 2.31646 -216.37382 597.16235
|
|
965.0000 -223.22326 -214.23526 8.98801 2.37572 -215.19260 654.56999
|
|
970.0000 -220.53000 -211.30221 9.22779 2.50363 -212.64272 733.54941
|
|
975.0000 -220.64880 -213.11987 7.52893 2.51467 -212.42264 714.62690
|
|
980.0000 -222.11358 -214.30355 7.81002 2.47684 -213.17672 675.63594
|
|
985.0000 -221.22927 -213.03515 8.19413 2.46820 -213.34894 708.78248
|
|
990.0000 -221.62582 -211.95939 9.66643 2.52198 -212.27691 744.40499
|
|
995.0000 -219.04664 -211.50226 7.54439 2.54045 -211.90880 736.22520
|
|
1000.0000 -219.86811 -211.04128 8.82682 2.60346 -210.65267 763.13163
|
|
MELTING PROCESS: loop number 5 T-loop= 787.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 787.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.37067 1.97057 2.61346
|
|
force_rgl> df(natom) -2.09361 -0.11980 -2.30059
|
|
1005.0000 -220.74477 -211.57939 9.16538 2.61984 -210.32627 802.52133
|
|
1010.0000 -220.62909 -211.66078 8.96831 2.59909 -210.73988 800.88350
|
|
1015.0000 -220.17311 -211.12779 9.04532 2.55122 -211.69410 742.74891
|
|
1020.0000 -220.20398 -210.83686 9.36713 2.54990 -211.72036 768.22056
|
|
1025.0000 -220.38596 -210.03620 10.34976 2.60670 -210.58814 785.12621
|
|
1030.0000 -219.23575 -210.81223 8.42352 2.61298 -210.46291 783.88738
|
|
1035.0000 -219.03960 -209.10614 9.93345 2.63795 -209.96534 791.88432
|
|
1040.0000 -219.11538 -209.53144 9.58394 2.67383 -209.24993 818.00353
|
|
1045.0000 -219.78317 -211.57666 8.20651 2.59655 -210.79050 774.71804
|
|
1050.0000 -220.41191 -210.15488 10.25703 2.62216 -210.28001 789.63650
|
|
1055.0000 -219.21533 -209.20490 10.01043 2.65129 -209.69929 795.78834
|
|
1060.0000 -221.01817 -211.89866 9.11951 2.61237 -210.47524 808.44008
|
|
1065.0000 -221.32291 -212.25484 9.06807 2.50118 -212.69153 725.17045
|
|
1070.0000 -221.19550 -212.72877 8.46673 2.49745 -212.76606 717.95790
|
|
1075.0000 -218.32308 -209.31723 9.00584 2.61848 -210.35334 778.93787
|
|
1080.0000 -220.33291 -210.71239 9.62052 2.61400 -210.44275 777.46280
|
|
1085.0000 -220.37090 -211.67401 8.69689 2.57076 -211.30469 767.68999
|
|
1090.0000 -220.17032 -212.67374 7.49658 2.55975 -211.52414 764.93507
|
|
1095.0000 -220.30436 -213.27301 7.03135 2.51600 -212.39609 716.81209
|
|
1100.0000 -221.73154 -213.16374 8.56780 2.48135 -213.08688 726.99405
|
|
1105.0000 -220.76554 -213.23834 7.52720 2.45958 -213.52093 698.02160
|
|
1110.0000 -218.32243 -209.74197 8.58046 2.57133 -211.29322 732.62470
|
|
1115.0000 -218.74336 -209.89262 8.85074 2.68935 -208.94066 824.58727
|
|
1120.0000 -218.55724 -209.15508 9.40216 2.70331 -208.66245 819.36734
|
|
1125.0000 -217.60717 -207.94458 9.66259 2.68289 -209.06935 798.72683
|
|
1130.0000 -220.43801 -210.41203 10.02598 2.72011 -208.32754 873.89029
|
|
1135.0000 -220.38213 -210.58342 9.79871 2.60365 -210.64894 794.19259
|
|
1140.0000 -219.03748 -209.03362 10.00386 2.64616 -209.80164 798.88541
|
|
1145.0000 -221.32220 -210.26098 11.06122 2.66992 -209.32799 836.36514
|
|
1150.0000 -218.65725 -210.16963 8.48762 2.62654 -210.19265 802.53926
|
|
1155.0000 -219.66374 -209.79507 9.86867 2.68799 -208.96766 831.51645
|
|
1160.0000 -220.92664 -212.37318 8.55346 2.59616 -210.79832 772.78361
|
|
1165.0000 -217.26890 -208.14811 9.12079 2.62133 -210.29651 776.02038
|
|
1170.0000 -219.59596 -209.75932 9.83664 2.72892 -208.15187 872.49948
|
|
1175.0000 -219.33439 -209.05762 10.27677 2.68567 -209.01404 833.84978
|
|
1180.0000 -219.05876 -209.61607 9.44269 2.66306 -209.46464 805.21639
|
|
1185.0000 -218.82151 -209.41456 9.40694 2.65460 -209.63324 831.45533
|
|
1190.0000 -218.53307 -211.05211 7.48096 2.64788 -209.76720 825.23531
|
|
1195.0000 -220.52065 -211.08811 9.43255 2.57686 -211.18291 766.65814
|
|
1200.0000 -219.09542 -210.34332 8.75209 2.61090 -210.50448 768.69750
|
|
1205.0000 -219.82699 -210.21804 9.60895 2.63754 -209.97347 795.78729
|
|
1210.0000 -218.72070 -209.07682 9.64389 2.65175 -209.69021 792.22794
|
|
1215.0000 -218.02533 -208.13468 9.89065 2.71311 -208.46707 847.47166
|
|
1220.0000 -216.08942 -206.79271 9.29671 2.73493 -208.03213 854.16361
|
|
1225.0000 -218.91107 -210.34923 8.56184 2.69501 -208.82786 856.46186
|
|
1230.0000 -219.03778 -210.11851 8.91927 2.62095 -210.30404 767.76045
|
|
1235.0000 -217.80409 -207.24327 10.56082 2.64663 -209.79231 783.23128
|
|
1240.0000 -219.98950 -209.03506 10.95444 2.70709 -208.58696 855.09969
|
|
1245.0000 -219.15145 -209.65003 9.50142 2.65674 -209.59070 850.52672
|
|
1250.0000 -220.15206 -210.78595 9.36612 2.61881 -210.34679 803.31890
|
|
MELTING PROCESS: loop number 6 T-loop= 887.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 887.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.88073 -0.76488 0.47134
|
|
force_rgl> df(natom) -1.25202 0.20729 -0.94808
|
|
1255.0000 -218.05611 -207.72399 10.33212 2.66527 -209.42068 828.26502
|
|
1260.0000 -217.90226 -208.40277 9.49948 2.78434 -207.04705 914.03676
|
|
1265.0000 -218.45078 -209.73739 8.71339 2.71241 -208.48087 846.83617
|
|
1270.0000 -216.61058 -206.40641 10.20417 2.74995 -207.73255 871.57510
|
|
1275.0000 -215.30308 -204.40233 10.90076 2.88705 -204.99973 947.16057
|
|
1280.0000 -218.87002 -207.27339 11.59663 2.82852 -206.16636 921.64327
|
|
1285.0000 -215.88781 -206.53237 9.35543 2.77785 -207.17643 887.51849
|
|
1290.0000 -217.79513 -206.27840 11.51673 2.82688 -206.19903 923.93204
|
|
1295.0000 -218.79596 -208.71673 10.07923 2.71452 -208.43900 852.24372
|
|
1300.0000 -218.72446 -208.37599 10.34846 2.73776 -207.97570 878.35472
|
|
1305.0000 -219.07543 -208.88984 10.18560 2.70052 -208.71803 865.21495
|
|
1310.0000 -218.14315 -207.62076 10.52240 2.77119 -207.30922 891.63554
|
|
1315.0000 -216.93116 -206.06507 10.86609 2.76416 -207.44935 877.21460
|
|
1320.0000 -217.30199 -206.32429 10.97770 2.83436 -206.04993 933.40996
|
|
1325.0000 -216.95210 -206.79780 10.15430 2.82656 -206.20541 905.07211
|
|
1330.0000 -216.00581 -206.40924 9.59657 2.83493 -206.03871 900.03075
|
|
1335.0000 -217.07183 -206.32632 10.74551 2.83105 -206.11593 921.82493
|
|
1340.0000 -216.86129 -207.60054 9.26075 2.78523 -207.02941 914.44145
|
|
1345.0000 -217.60330 -208.32734 9.27596 2.68300 -209.06723 849.98900
|
|
1350.0000 -218.83422 -209.29146 9.54276 2.68563 -209.01480 842.41231
|
|
1355.0000 -217.13829 -206.52785 10.61043 2.73347 -208.06124 874.22631
|
|
1360.0000 -216.50807 -206.03333 10.47473 2.86628 -205.41370 933.56631
|
|
1365.0000 -217.35035 -207.88282 9.46753 2.81597 -206.41658 912.26552
|
|
1370.0000 -217.05806 -207.96040 9.09766 2.71590 -208.41135 829.65527
|
|
1375.0000 -217.00095 -206.22660 10.77435 2.78525 -207.02899 849.31445
|
|
1380.0000 -218.35011 -207.62762 10.72249 2.72130 -208.30380 865.56598
|
|
1385.0000 -217.55419 -208.21205 9.34214 2.74247 -207.88179 876.48725
|
|
1390.0000 -217.77530 -206.46868 11.30662 2.74706 -207.79020 879.11661
|
|
1395.0000 -220.04045 -208.55793 11.48251 2.75326 -207.66672 854.95925
|
|
1400.0000 -216.77767 -206.85199 9.92568 2.76136 -207.50515 885.00364
|
|
1405.0000 -217.50829 -207.48640 10.02190 2.79428 -206.84892 893.91621
|
|
1410.0000 -217.08313 -208.82373 8.25941 2.75813 -207.56961 859.25523
|
|
1415.0000 -217.25502 -207.47326 9.78176 2.73918 -207.94735 884.10459
|
|
1420.0000 -217.09226 -207.92811 9.16415 2.78055 -207.12271 895.56400
|
|
1425.0000 -217.77273 -207.36370 10.40903 2.71873 -208.35505 849.46394
|
|
1430.0000 -218.41043 -208.22158 10.18885 2.73965 -207.93803 848.54042
|
|
1435.0000 -217.15926 -206.67833 10.48093 2.76191 -207.49417 883.26587
|
|
1440.0000 -216.66334 -208.18328 8.48006 2.82128 -206.31081 922.50518
|
|
1445.0000 -217.30561 -206.77645 10.52916 2.73675 -207.99572 872.76261
|
|
1450.0000 -217.21287 -205.50002 11.71284 2.79680 -206.79872 901.32023
|
|
1455.0000 -218.71854 -208.31473 10.40381 2.79968 -206.74140 922.19257
|
|
1460.0000 -215.70298 -205.22321 10.47977 2.77640 -207.20547 908.53416
|
|
1465.0000 -215.30785 -204.27089 11.03696 2.89950 -204.75144 958.96840
|
|
1470.0000 -217.54909 -205.80559 11.74350 2.88966 -204.94769 946.96119
|
|
1475.0000 -217.15581 -208.19802 8.95779 2.79474 -206.83976 911.58891
|
|
1480.0000 -218.91723 -207.95280 10.96443 2.74495 -207.83231 874.37858
|
|
1485.0000 -218.01442 -208.51886 9.49556 2.72301 -208.26975 865.89032
|
|
1490.0000 -219.47340 -209.61705 9.85635 2.68924 -208.94285 857.66981
|
|
1495.0000 -217.26058 -207.02891 10.23167 2.71768 -208.37581 892.90210
|
|
1500.0000 -216.22213 -205.44977 10.77236 2.80067 -206.72154 922.42313
|
|
MELTING PROCESS: loop number 7 T-loop= 987.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 987.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.52112 0.62187 8.62615
|
|
force_rgl> df(natom) -0.53445 -0.54285 -3.97236
|
|
1505.0000 -215.32924 -203.50804 11.82120 2.91415 -204.45953 970.08878
|
|
1510.0000 -215.77096 -202.27788 13.49308 2.98826 -202.98220 994.82573
|
|
1515.0000 -214.30083 -203.07960 11.22123 3.00295 -202.68932 1035.91786
|
|
1520.0000 -213.99657 -202.60656 11.39002 3.05494 -201.65307 1068.35591
|
|
1525.0000 -212.06159 -201.05886 11.00273 3.05558 -201.64024 1061.63289
|
|
1530.0000 -215.42983 -204.22944 11.20039 3.00903 -202.56818 1044.07936
|
|
1535.0000 -213.77793 -201.27995 12.49797 3.00305 -202.68731 1010.09804
|
|
1540.0000 -215.53460 -205.03856 10.49604 2.96377 -203.47035 989.91544
|
|
1545.0000 -214.76681 -202.62273 12.14408 2.91780 -204.38664 985.64968
|
|
1550.0000 -215.24081 -203.07548 12.16534 2.90587 -204.62451 969.71960
|
|
1555.0000 -215.78309 -204.02553 11.75756 2.89971 -204.74732 973.70440
|
|
1560.0000 -212.79643 -202.63906 10.15737 2.94334 -203.87753 962.86403
|
|
1565.0000 -215.23953 -203.79173 11.44781 3.01197 -202.50952 1032.43026
|
|
1570.0000 -213.85659 -203.44792 10.40868 2.96155 -203.51461 974.23991
|
|
1575.0000 -214.44502 -204.27786 10.16717 2.99253 -202.89701 998.18408
|
|
1580.0000 -215.12506 -203.37860 11.74647 2.88535 -205.03351 946.69689
|
|
1585.0000 -215.99123 -205.84895 10.14229 2.89784 -204.78467 960.97779
|
|
1590.0000 -213.78352 -202.32951 11.45402 2.95712 -203.60295 977.56254
|
|
1595.0000 -213.86345 -201.71790 12.14556 3.05956 -201.56098 1066.39338
|
|
1600.0000 -213.54943 -203.75374 9.79569 2.99127 -202.92218 995.82720
|
|
1605.0000 -214.83391 -203.12325 11.71066 2.98365 -203.07398 1044.83363
|
|
1610.0000 -216.60409 -204.17989 12.42420 2.98026 -203.14157 1031.92261
|
|
1615.0000 -214.69431 -201.94288 12.75142 2.94256 -203.89309 999.19583
|
|
1620.0000 -212.89786 -201.59360 11.30426 3.07442 -201.26475 1066.23104
|
|
1625.0000 -215.93513 -204.66070 11.27444 2.96016 -203.54238 984.71629
|
|
1630.0000 -215.91580 -204.35990 11.55590 2.93607 -204.02256 996.74386
|
|
1635.0000 -215.44638 -203.76616 11.68022 2.98501 -203.04697 1022.95030
|
|
1640.0000 -215.41795 -203.30401 12.11394 2.96002 -203.54519 988.91780
|
|
1645.0000 -212.75084 -200.94081 11.81002 2.97388 -203.26880 1021.22599
|
|
1650.0000 -215.37938 -202.57810 12.80128 2.99133 -202.92100 1023.64318
|
|
1655.0000 -214.77507 -203.96255 10.81251 2.90080 -204.72564 950.28879
|
|
1660.0000 -213.46701 -202.85700 10.61001 3.00180 -202.71234 1004.29287
|
|
1665.0000 -213.82434 -201.37397 12.45037 3.00256 -202.69712 1029.36988
|
|
1670.0000 -213.46031 -203.05356 10.40676 3.00707 -202.60725 987.85880
|
|
1675.0000 -213.93279 -202.15059 11.78220 2.99083 -202.93100 1014.35021
|
|
1680.0000 -216.14040 -205.25153 10.88888 2.98573 -203.03264 980.37379
|
|
1685.0000 -217.09963 -205.14453 11.95511 2.89706 -204.80025 982.62018
|
|
1690.0000 -215.24790 -204.06593 11.18197 2.90257 -204.69036 976.88130
|
|
1695.0000 -215.29252 -204.06329 11.22923 2.94723 -203.79997 968.87548
|
|
1700.0000 -214.60215 -203.27372 11.32843 2.95495 -203.64619 988.62084
|
|
1705.0000 -217.67742 -207.42364 10.25377 2.85782 -205.58226 950.52336
|
|
1710.0000 -215.42768 -204.43999 10.98769 2.83289 -206.07936 927.51106
|
|
1715.0000 -215.98604 -204.58883 11.39721 2.91345 -204.47339 966.29721
|
|
1720.0000 -215.34925 -202.78651 12.56274 2.97086 -203.32905 990.55268
|
|
1725.0000 -214.51855 -202.99032 11.52823 2.94148 -203.91472 1007.79084
|
|
1730.0000 -215.47249 -204.10429 11.36820 3.01548 -202.43965 1035.27770
|
|
1735.0000 -214.74562 -204.33582 10.40980 2.93489 -204.04600 966.97604
|
|
1740.0000 -216.46554 -205.71573 10.74981 2.89859 -204.76972 949.95084
|
|
1745.0000 -216.74197 -206.95487 9.78710 2.83545 -206.02838 944.04847
|
|
1750.0000 -216.58520 -205.80232 10.78288 2.85256 -205.68731 933.42154
|
|
MELTING PROCESS: loop number 8 T-loop= 1087.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1087.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.30780 -0.94007 -0.25362
|
|
force_rgl> df(natom) -4.97783 -0.14434 -2.62862
|
|
1755.0000 -214.35044 -204.11470 10.23574 2.90557 -204.63042 937.52516
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|
1760.0000 -212.88658 -201.27077 11.61581 3.06259 -201.50049 1047.39608
|
|
1765.0000 -211.87944 -197.24387 14.63557 3.16705 -199.41812 1111.21971
|
|
1770.0000 -211.10683 -199.79063 11.31620 3.20069 -198.74756 1159.34058
|
|
1775.0000 -213.24791 -200.61281 12.63510 3.14911 -199.77572 1116.10414
|
|
1780.0000 -213.00676 -201.77577 11.23099 3.08700 -201.01382 1068.45004
|
|
1785.0000 -210.53059 -197.32177 13.20882 3.14285 -199.90060 1109.88021
|
|
1790.0000 -213.11009 -197.81956 15.29052 3.19006 -198.95946 1123.44505
|
|
1795.0000 -212.97743 -199.29939 13.67805 3.25436 -197.67770 1159.32492
|
|
1800.0000 -214.30639 -203.03164 11.27476 3.11079 -200.53974 1100.87177
|
|
1805.0000 -214.92728 -202.52764 12.39965 2.98946 -202.95819 1002.74754
|
|
1810.0000 -212.93713 -199.71406 13.22307 3.13850 -199.98724 1099.46296
|
|
1815.0000 -211.16991 -199.38347 11.78643 3.18239 -199.11235 1152.14072
|
|
1820.0000 -211.75810 -197.24450 14.51360 3.13914 -199.97458 1109.32278
|
|
1825.0000 -210.19480 -198.39097 11.80383 3.23829 -197.99815 1187.20530
|
|
1830.0000 -214.38844 -200.47934 13.90911 3.14603 -199.83724 1098.88516
|
|
1835.0000 -211.62275 -197.49778 14.12496 3.21178 -198.52649 1154.18686
|
|
1840.0000 -213.27770 -199.58270 13.69500 3.23662 -198.03134 1177.33619
|
|
1845.0000 -213.36035 -200.88278 12.47757 3.06853 -201.38209 1078.05296
|
|
1850.0000 -213.14647 -201.33057 11.81591 3.10257 -200.70356 1081.01526
|
|
1855.0000 -212.41281 -198.53952 13.87329 3.10497 -200.65575 1083.32549
|
|
1860.0000 -212.75288 -198.77592 13.97697 3.17425 -199.27471 1116.28273
|
|
1865.0000 -211.33619 -198.96930 12.36689 3.16826 -199.39409 1156.10423
|
|
1870.0000 -210.82158 -197.88278 12.93880 3.20680 -198.62589 1153.70205
|
|
1875.0000 -214.57960 -202.65634 11.92326 3.17790 -199.20189 1119.81917
|
|
1880.0000 -213.28227 -201.21156 12.07071 3.01865 -202.37641 1039.83399
|
|
1885.0000 -213.11643 -199.29525 13.82118 3.15638 -199.63094 1120.34502
|
|
1890.0000 -212.57184 -199.93489 12.63694 3.14999 -199.75824 1113.45864
|
|
1895.0000 -215.48036 -201.64526 13.83510 3.15586 -199.64120 1146.30546
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|
1900.0000 -212.42019 -199.95799 12.46219 3.12217 -200.31278 1111.41909
|
|
1905.0000 -214.54418 -202.36187 12.18231 3.04943 -201.76282 1075.01760
|
|
1910.0000 -215.05162 -202.76561 12.28600 3.01155 -202.51801 1006.04248
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|
1915.0000 -214.84941 -201.53845 13.31097 3.01033 -202.54221 1015.88128
|
|
1920.0000 -214.32489 -201.05140 13.27349 2.99835 -202.78097 1017.17935
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|
1925.0000 -212.72328 -201.42922 11.29407 3.13099 -200.13703 1107.74747
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|
1930.0000 -213.74436 -199.83253 13.91183 3.10686 -200.61805 1079.64747
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|
1935.0000 -214.55410 -201.15238 13.40172 3.11384 -200.47882 1110.80306
|
|
1940.0000 -213.80891 -201.49384 12.31507 3.14681 -199.82166 1130.17490
|
|
1945.0000 -211.49532 -199.24048 12.25484 3.13868 -199.98379 1116.77433
|
|
1950.0000 -212.99538 -199.64400 13.35138 3.15599 -199.63864 1117.51110
|
|
1955.0000 -211.17322 -198.68140 12.49182 3.17746 -199.21067 1126.57771
|
|
1960.0000 -212.58344 -199.23382 13.34962 3.21419 -198.47853 1171.48795
|
|
1965.0000 -213.18089 -200.03268 13.14822 3.10220 -200.71087 1082.25972
|
|
1970.0000 -213.21539 -201.20024 12.01515 3.13818 -199.99363 1152.54248
|
|
1975.0000 -215.17555 -201.74736 13.42819 3.00793 -202.59001 1036.54288
|
|
1980.0000 -214.14404 -201.16472 12.97932 3.15147 -199.72870 1130.60791
|
|
1985.0000 -212.40614 -198.85823 13.54791 3.16210 -199.51681 1122.91228
|
|
1990.0000 -215.41614 -200.84179 14.57435 3.09081 -200.93785 1082.73352
|
|
1995.0000 -212.40790 -198.65943 13.74847 3.13072 -200.14234 1098.05810
|
|
2000.0000 -211.90953 -196.87950 15.03003 3.19287 -198.90348 1162.32177
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|
MELTING PROCESS: loop number 9 T-loop= 1187.0000000000000
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main_MD> interactions number 9 at Temperature= 1187.0000000000000
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force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
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force_rgl> df(1) 1.37180 -1.87406 1.05762
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force_rgl> df(natom) 2.29616 2.97728 1.54208
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2005.0000 -211.95771 -198.86296 13.09476 3.27930 -197.18051 1198.89003
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2010.0000 -211.17887 -196.39352 14.78535 3.28557 -197.05561 1221.53600
|
|
2015.0000 -210.35386 -197.58431 12.76955 3.20870 -198.58795 1163.37149
|
|
2020.0000 -212.89637 -199.27519 13.62118 3.26091 -197.54720 1199.18143
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|
2025.0000 -209.84917 -196.47372 13.37545 3.31834 -196.40229 1220.16922
|
|
2030.0000 -208.12911 -197.12504 11.00407 3.32316 -196.30629 1233.91098
|
|
2035.0000 -208.82456 -193.44413 15.38043 3.40956 -194.58396 1304.93390
|
|
2040.0000 -209.46477 -193.93174 15.53303 3.45746 -193.62926 1320.03651
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|
2045.0000 -209.76498 -198.04267 11.72230 3.33415 -196.08725 1218.70812
|
|
2050.0000 -213.25707 -198.70825 14.54882 3.17335 -199.29256 1116.14322
|
|
2055.0000 -212.07340 -199.56858 12.50481 3.18402 -199.07991 1128.60476
|
|
2060.0000 -211.52175 -200.05624 11.46551 3.15703 -199.61802 1115.88641
|
|
2065.0000 -212.37880 -197.93340 14.44541 3.13046 -200.14753 1114.24394
|
|
2070.0000 -211.99239 -195.36235 16.63003 3.37341 -195.30462 1260.70512
|
|
2075.0000 -209.98313 -197.37168 12.61144 3.33963 -195.97790 1212.88217
|
|
2080.0000 -208.71560 -195.75619 12.95941 3.28694 -197.02837 1173.22418
|
|
2085.0000 -208.35176 -195.94068 12.41109 3.32891 -196.19163 1205.93199
|
|
2090.0000 -211.04861 -196.88058 14.16804 3.28572 -197.05255 1208.12431
|
|
2095.0000 -210.31756 -199.01992 11.29764 3.16907 -199.37787 1124.25501
|
|
2100.0000 -212.85854 -198.67194 14.18661 3.25335 -197.69791 1191.44389
|
|
2105.0000 -213.77579 -200.75020 13.02558 3.16520 -199.45501 1159.61850
|
|
2110.0000 -211.26619 -198.32129 12.94490 3.16983 -199.36281 1155.28365
|
|
2115.0000 -210.99408 -197.83567 13.15841 3.28371 -197.09272 1200.65176
|
|
2120.0000 -208.54752 -193.32381 15.22371 3.32915 -196.18693 1242.83158
|
|
2125.0000 -210.18471 -196.27294 13.91177 3.39257 -194.92265 1254.42401
|
|
2130.0000 -210.98072 -196.38078 14.59993 3.35602 -195.65122 1247.66165
|
|
2135.0000 -210.69350 -197.36336 13.33015 3.28507 -197.06549 1232.13893
|
|
2140.0000 -211.15970 -198.16416 12.99555 3.28678 -197.03152 1210.16311
|
|
2145.0000 -208.10270 -192.55853 15.54417 3.41319 -194.51157 1257.98245
|
|
2150.0000 -206.78206 -192.62759 14.15447 3.47233 -193.33285 1271.54365
|
|
2155.0000 -210.87464 -195.06573 15.80891 3.43557 -194.06544 1311.07606
|
|
2160.0000 -210.94444 -196.96625 13.97819 3.30589 -196.65052 1203.60099
|
|
2165.0000 -210.88436 -197.28312 13.60125 3.28568 -197.05344 1223.20033
|
|
2170.0000 -211.94028 -197.21162 14.72866 3.25900 -197.58517 1206.34314
|
|
2175.0000 -212.45589 -198.31470 14.14119 3.27261 -197.31398 1196.03651
|
|
2180.0000 -209.73124 -196.26850 13.46274 3.23748 -198.01433 1170.99404
|
|
2185.0000 -210.89609 -195.89413 15.00196 3.27637 -197.23896 1212.86531
|
|
2190.0000 -213.15835 -197.47895 15.67940 3.27331 -197.29998 1226.49612
|
|
2195.0000 -212.82024 -199.03760 13.78264 3.28607 -197.04557 1206.00617
|
|
2200.0000 -213.43439 -199.18292 14.25147 3.19925 -198.77637 1151.12418
|
|
2205.0000 -210.68127 -199.29560 11.38567 3.23335 -198.09650 1154.48337
|
|
2210.0000 -213.20017 -200.47844 12.72173 3.19578 -198.84544 1148.27420
|
|
2215.0000 -211.36213 -198.04015 13.32198 3.14919 -199.77425 1119.79696
|
|
2220.0000 -210.12377 -197.16271 12.96106 3.21343 -198.49362 1145.49717
|
|
2225.0000 -208.68634 -195.45681 13.22953 3.31388 -196.49129 1226.86059
|
|
2230.0000 -211.06615 -193.75073 17.31542 3.42550 -194.26629 1290.12829
|
|
2235.0000 -212.21484 -198.47296 13.74188 3.35385 -195.69448 1242.57117
|
|
2240.0000 -213.39505 -198.78991 14.60513 3.17561 -199.24753 1154.69602
|
|
2245.0000 -210.79933 -196.31410 14.48523 3.23961 -197.97173 1187.12835
|
|
2250.0000 -211.40941 -196.86460 14.54481 3.32619 -196.24588 1229.42865
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 46.9393835 [s].
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|
main_MD> Deallocating global variables
|