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lammps/examples/USER/misc/grem/lj-temper/log.lammps.3
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LAMMPS (9 Nov 2016)
Processor partition = 3
# LJ particles
variable lambda world 400 410 420 430
variable rep world 1 2 3 4
#variable walker world 1 2 3 4
variable T0 equal 300.0
variable press equal 0.0
units real
atom_style full
pair_style lj/cut 5.0
read_data "lj.data"
orthogonal box = (1.06874 1.06874 1.06874) to (23.9313 23.9313 23.9313)
1 by 1 by 1 MPI processor grid
reading atoms ...
500 atoms
reading velocities ...
500 velocities
0 = max # of 1-2 neighbors
0 = max # of 1-3 neighbors
0 = max # of 1-4 neighbors
1 = max # of special neighbors
thermo 10
thermo_style custom step temp pe etotal press vol
timestep 1.0
fix fxnpt all npt temp ${T0} ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 ${T0} 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso ${press} ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 ${press} 10000.0
fix fxnpt all npt temp 300 300 1000.0 iso 0 0 10000.0
fix fxgREM all grem ${lambda} -.01 -30000 fxnpt
fix fxgREM all grem 430 -.01 -30000 fxnpt
thermo_modify press fxgREM_press
grem 10000 1000 ${lambda} fxgREM fxnpt 10294 98392
grem 10000 1000 430 fxgREM fxnpt 10294 98392
Neighbor list info ...
1 neighbor list requests
update every 1 steps, delay 10 steps, check yes
max neighbors/atom: 2000, page size: 100000
master list distance cutoff = 7
ghost atom cutoff = 7
binsize = 3.5 -> bins = 7 7 7
Memory usage per processor = 5.37943 Mbytes
Step Temp PotEng TotEng Press Volume
0 305.69499 -3177.6423 -2722.9442 82.192012 11950.115
10 309.09239 -3180.765 -2721.0135 14.123149 11950.115
20 306.22627 -3180.4397 -2724.9513 72.972842 11950.116
30 297.5645 -3174.0196 -2731.415 274.86848 11950.119
40 285.72479 -3164.9229 -2739.929 543.83056 11950.129
50 275.01704 -3156.2084 -2747.1414 789.54221 11950.149
60 269.25794 -3151.3294 -2750.8286 927.05094 11950.186
70 269.20437 -3150.0957 -2749.6746 948.58284 11950.242
80 272.47054 -3153.231 -2747.9517 873.10809 11950.318
90 275.67098 -3156.0426 -2746.0029 794.18206 11950.412
100 276.48025 -3156.5429 -2745.2994 762.47574 11950.524
110 274.94766 -3154.7661 -2745.8023 782.79082 11950.651
120 272.42404 -3153.5077 -2748.2976 812.89769 11950.795
130 270.41852 -3152.1378 -2749.9107 844.59704 11950.956
140 269.90856 -3152.617 -2751.1485 844.71173 11951.135
150 271.0881 -3154.3124 -2751.0894 817.54382 11951.332
160 273.1008 -3155.622 -2749.4053 791.14157 11951.545
170 274.04857 -3155.6809 -2748.0544 793.75569 11951.776
180 272.42778 -3153.1488 -2747.9331 853.71127 11952.023
190 268.49694 -3148.2364 -2748.8676 964.00144 11952.289
200 264.18449 -3143.6767 -2750.7223 1072.9302 11952.575
210 261.56633 -3140.9963 -2751.9362 1139.237 11952.883
220 261.81391 -3142.9728 -2753.5445 1119.0684 11953.215
230 264.77735 -3144.8796 -2751.0434 1065.7559 11953.571
240 269.76901 -3148.9329 -2747.6719 964.96713 11953.949
250 275.56217 -3153.7539 -2743.8761 848.08668 11954.347
260 280.47241 -3158.3887 -2741.2073 748.08729 11954.763
270 282.8591 -3160.3418 -2739.6103 711.16615 11955.195
280 282.28694 -3159.5238 -2739.6433 744.19728 11955.642
290 279.35172 -3157.4688 -2741.9543 822.22771 11956.105
300 275.2133 -3154.0523 -2744.6934 929.21018 11956.585
310 271.23061 -3150.1043 -2746.6694 1035.2735 11957.085
320 268.68744 -3145.9939 -2746.3417 1117.7436 11957.606
330 268.32768 -3145.9956 -2746.8785 1117.1887 11958.151
340 270.4172 -3149.0055 -2746.7804 1042.2337 11958.719
350 274.76838 -3152.5049 -2743.8077 923.5507 11959.31
360 280.77939 -3157.195 -2739.5569 763.40549 11959.919
370 287.37988 -3162.4842 -2735.0284 584.86782 11960.545
380 293.29727 -3166.4323 -2730.1749 430.22316 11961.184
390 297.19019 -3168.7504 -2726.7025 324.02683 11961.831
400 297.87359 -3169.0211 -2725.9567 288.19178 11962.486
410 294.70501 -3164.3595 -2726.0081 362.58031 11963.147
420 287.95241 -3157.6189 -2729.3116 509.89271 11963.815
430 279.13243 -3150.4121 -2735.2237 691.49066 11964.495
440 270.86184 -3145.1006 -2742.2141 847.08217 11965.189
450 266.04173 -3142.5523 -2746.8354 931.37566 11965.901
460 266.04629 -3144.2604 -2748.5367 910.57407 11966.633
470 269.72087 -3147.32 -2746.1307 829.10226 11967.384
480 274.44789 -3151.4785 -2743.258 721.3377 11968.152
490 277.74363 -3152.1148 -2738.9922 669.54367 11968.936
500 278.35247 -3152.4356 -2738.4074 654.55531 11969.734
510 276.96763 -3150.4999 -2738.5316 691.41378 11970.546
520 275.78792 -3149.7765 -2739.5629 716.82523 11971.373
530 276.91281 -3149.1844 -2737.2976 718.55 11972.215
540 280.668 -3152.5357 -2735.0633 649.68091 11973.073
550 285.09899 -3155.2399 -2731.1767 580.47941 11973.944
560 287.52089 -3158.434 -2730.7685 523.45219 11974.827
570 287.07588 -3157.0912 -2730.0876 542.57531 11975.722
580 284.69558 -3153.8043 -2730.3412 601.1822 11976.629
590 282.00195 -3150.5294 -2731.0729 659.63138 11977.548
600 281.07995 -3150.2529 -2732.1677 665.6444 11978.482
610 282.37973 -3149.5165 -2729.498 656.17415 11979.429
620 283.70097 -3149.5842 -2727.6005 642.71272 11980.391
630 282.38557 -3148.3225 -2728.2953 676.45404 11981.367
640 277.75976 -3143.8874 -2730.7408 781.72009 11982.357
650 271.64673 -3138.6601 -2734.6062 908.96181 11983.363
660 267.14415 -3134.3307 -2736.974 1005.5708 11984.389
670 266.23184 -3132.6128 -2736.6131 1029.5903 11985.436
680 268.81829 -3136.5835 -2736.7367 948.57921 11986.505
690 273.2952 -3141.0057 -2734.4998 840.65282 11987.594
700 277.66587 -3144.4184 -2731.4115 744.75021 11988.701
710 280.69993 -3145.5689 -2728.049 690.0324 11989.823
720 282.18531 -3146.0014 -2726.2721 662.7098 11990.961
730 282.76029 -3147.9335 -2727.349 631.52125 11992.113
740 283.11936 -3147.3262 -2726.2076 632.33233 11993.278
750 283.31852 -3147.7716 -2726.3568 623.26899 11994.457
760 282.80101 -3148.0367 -2727.3916 620.96901 11995.649
770 281.26184 -3146.6951 -2728.3394 642.62312 11996.855
780 278.77087 -3145.382 -2730.7315 667.65709 11998.075
790 275.66545 -3142.788 -2732.7566 704.47025 11999.308
800 272.93259 -3140.8914 -2734.9248 721.52412 12000.557
810 271.63365 -3138.3015 -2734.267 722.39914 12001.822
820 272.50279 -3136.9181 -2731.5909 678.87045 12003.102
830 275.89257 -3140.703 -2730.3337 547.30242 12004.396
840 281.42813 -3144.7502 -2726.1472 390.01384 12005.703
850 287.75914 -3150.6095 -2722.5896 209.06252 12007.017
860 292.82179 -3155.579 -2720.0288 61.443026 12008.337
870 294.74776 -3156.4541 -2718.0391 7.0199256 12009.658
880 292.75065 -3153.7955 -2718.3511 49.310486 12010.98
890 287.62899 -3148.77 -2720.9437 166.65147 12012.304
900 281.27686 -3143.0337 -2724.6557 319.67969 12013.631
910 275.56304 -3138.2128 -2728.3336 467.56939 12014.965
920 271.64374 -3136.0235 -2731.9741 575.17057 12016.31
930 269.59646 -3135.7258 -2734.7215 643.71882 12017.667
940 268.71334 -3135.1824 -2735.4917 700.12319 12019.037
950 267.81288 -3133.5706 -2735.2193 761.53698 12020.423
960 266.22833 -3131.8069 -2735.8124 820.77182 12021.825
970 264.42666 -3128.2949 -2734.9803 888.58881 12023.245
980 263.46378 -3126.7697 -2734.8873 910.47875 12024.684
990 264.34687 -3127.6415 -2734.4455 871.98925 12026.142
1000 267.28348 -3128.5746 -2731.0106 798.08189 12027.619
1010 272.03784 -3134.5033 -2729.8677 642.02912 12029.113
1020 277.67984 -3137.0608 -2724.033 510.13524 12030.621
1030 282.59401 -3139.2922 -2718.9551 389.62703 12032.14
1040 285.41342 -3142.868 -2718.3372 275.75349 12033.668
1050 286.84884 -3144.6758 -2718.0099 196.08358 12035.202
1060 288.98244 -3145.9899 -2716.1504 116.76726 12036.74
1070 292.80394 -3149.9739 -2714.4502 -5.3217718 12038.281
1080 296.95292 -3153.1655 -2711.4705 -115.18623 12039.823
1090 298.82376 -3155.3215 -2710.8438 -183.70105 12041.362
1100 297.18593 -3153.487 -2711.4454 -163.19842 12042.898
1110 292.42178 -3147.8446 -2712.8893 -59.780248 12044.43
1120 286.08553 -3142.139 -2716.6085 65.514246 12045.962
1130 280.52623 -3137.3306 -2720.0691 172.67874 12047.495
1140 277.73872 -3133.9618 -2720.8465 230.65961 12049.032
1150 277.99499 -3133.1621 -2719.6656 221.78437 12050.573
1160 280.0384 -3134.4492 -2717.9133 163.589 12052.12
1170 282.60296 -3138.125 -2717.7745 68.200405 12053.67
1180 285.17331 -3139.7013 -2715.5276 -4.8319728 12055.222
1190 287.51997 -3141.7546 -2714.0904 -76.942952 12056.774
1200 289.24624 -3143.3135 -2713.0816 -129.88379 12058.325
1210 289.83557 -3141.8565 -2710.7481 -129.37396 12059.874
1220 289.00906 -3142.1681 -2712.2891 -123.99589 12061.42
1230 286.56249 -3138.9494 -2712.7094 -56.565579 12062.963
1240 282.9334 -3135.8443 -2715.0023 25.605057 12064.506
1250 279.09886 -3133.6359 -2718.4975 99.61017 12066.05
1260 276.31383 -3129.6429 -2718.647 179.7562 12067.595
1270 275.10585 -3128.2293 -2719.0302 212.12187 12069.145
1280 274.73769 -3127.359 -2718.7075 225.2942 12070.699
1290 273.96147 -3126.1634 -2718.6665 239.62171 12072.259
1300 272.45844 -3124.5205 -2719.2592 259.14549 12073.823
1310 271.32738 -3122.6507 -2719.0718 269.90933 12075.393
1320 272.25899 -3123.3532 -2718.3885 223.77029 12076.969
1330 276.22321 -3125.4254 -2714.5643 126.53203 12078.55
1340 282.58017 -3130.8534 -2710.5368 -33.833459 12080.134
1350 289.47856 -3136.1854 -2705.6079 -194.31863 12081.718
1360 294.4566 -3138.7934 -2700.8116 -293.487 12083.297
1370 295.26814 -3139.5148 -2700.3258 -314.97405 12084.871
1380 291.52549 -3135.5422 -2701.9201 -223.7257 12086.438
1390 284.98012 -3131.3082 -2707.4218 -89.156223 12088
1400 278.28636 -3124.9972 -2711.0673 75.177366 12089.561
1410 273.16753 -3121.6655 -2715.3495 188.71233 12091.124
1420 270.01345 -3118.7265 -2717.1019 270.00126 12092.691
1430 268.72484 -3117.935 -2718.2272 295.93553 12094.263
1440 269.59806 -3117.9534 -2716.9467 275.88504 12095.843
1450 272.93019 -3119.673 -2713.71 198.79021 12097.428
1460 277.91395 -3123.3645 -2709.9886 73.468454 12099.017
1470 282.89284 -3127.3124 -2706.5307 -58.934483 12100.608
1480 286.32934 -3129.7576 -2703.8644 -158.42359 12102.199
1490 287.9181 -3129.6719 -2701.4156 -206.54417 12103.786
1500 288.63425 -3131.2538 -2701.9322 -257.30689 12105.369
1510 289.45711 -3133.0591 -2702.5136 -303.0454 12106.946
1520 289.94138 -3132.2234 -2700.9576 -308.78414 12108.517
1530 289.12825 -3130.2183 -2700.1619 -283.7599 12110.081
1540 287.08027 -3128.6777 -2701.6676 -248.60008 12111.64
1550 284.51661 -3127.7804 -2704.5835 -216.26753 12113.194
1560 281.85312 -3125.0996 -2705.8645 -168.23158 12114.743
1570 279.27268 -3121.8295 -2706.4325 -122.30417 12116.288
1580 277.67586 -3121.5809 -2708.5591 -127.30609 12117.831
1590 278.11828 -3120.3332 -2706.6533 -147.21856 12119.371
1600 280.2392 -3122.9249 -2706.0904 -228.98284 12120.908
1610 282.65347 -3123.7751 -2703.3495 -294.77147 12122.44
1620 283.99264 -3125.6068 -2703.1892 -360.39808 12123.966
1630 284.30169 -3123.7175 -2700.8403 -375.01828 12125.485
1640 285.22301 -3123.6348 -2699.3872 -413.68429 12126.995
1650 286.92932 -3125.3624 -2698.5768 -478.48694 12128.496
1660 288.20278 -3126.4757 -2697.7959 -531.82203 12129.988
1670 288.84863 -3126.564 -2696.9236 -565.81375 12131.467
1680 289.00916 -3127.7119 -2697.8327 -604.62007 12132.935
1690 288.64674 -3127.3898 -2698.0497 -617.45622 12134.39
1700 287.44975 -3126.5358 -2698.976 -610.30044 12135.831
1710 285.19035 -3123.6496 -2699.4506 -563.75141 12137.26
1720 281.87308 -3122.4191 -2703.1542 -519.50196 12138.676
1730 278.50899 -3119.1818 -2704.9208 -450.77286 12140.081
1740 276.84164 -3117.6925 -2705.9115 -419.18074 12141.476
1750 277.53195 -3120.4569 -2707.6492 -462.02561 12142.863
1760 279.79236 -3123.9475 -2707.7775 -535.15214 12144.239
1770 282.69984 -3125.3203 -2704.8257 -598.76737 12145.603
1780 285.61996 -3126.4376 -2701.5995 -663.61061 12146.955
1790 287.56224 -3127.4277 -2699.7006 -717.95466 12148.292
1800 287.67537 -3127.4809 -2699.5856 -741.68536 12149.614
1810 285.57789 -3124.5827 -2699.8073 -707.80287 12150.92
1820 281.73405 -3121.6088 -2702.5507 -653.58112 12152.21
1830 277.70147 -3119.6701 -2706.6102 -607.60183 12153.487
1840 275.12996 -3117.5844 -2708.3494 -573.99589 12154.75
1850 274.82579 -3116.2609 -2707.4783 -568.60899 12156
1860 276.13174 -3115.8258 -2705.1007 -584.19138 12157.239
1870 277.39335 -3116.1441 -2703.5425 -601.7978 12158.464
1880 277.13386 -3115.1105 -2702.8949 -584.99036 12159.676
1890 275.51903 -3112.336 -2702.5224 -533.22732 12160.876
1900 274.30465 -3111.9865 -2703.9791 -512.71686 12162.064
1910 274.97169 -3111.9566 -2702.9571 -517.76 12163.241
1920 277.03355 -3114.222 -2702.1556 -566.83394 12164.407
1930 279.01209 -3116.8104 -2701.8011 -624.89993 12165.56
1940 280.3409 -3117.2978 -2700.312 -658.24854 12166.7
1950 281.87144 -3117.5527 -2698.2902 -693.57034 12167.826
1960 284.812 -3117.7449 -2694.1086 -740.92238 12168.936
1970 288.93385 -3121.5095 -2691.7423 -834.22863 12170.031
1980 292.64993 -3123.5005 -2688.2059 -898.94814 12171.107
1990 294.51964 -3123.7484 -2685.6728 -920.39983 12172.164
2000 293.68714 -3123.2848 -2686.4474 -902.63075 12173.201
2010 290.29236 -3118.9333 -2687.1454 -813.44847 12174.219
2020 285.27828 -3115.1342 -2690.8043 -713.58824 12175.218
2030 280.05807 -3110.3885 -2693.8234 -605.65914 12176.203
2040 276.01115 -3107.8995 -2697.3539 -540.75387 12177.174
2050 273.85696 -3107.4489 -2700.1074 -525.38962 12178.133
2060 273.58214 -3106.13 -2699.1973 -526.93207 12179.081
2070 274.52537 -3106.8359 -2698.5002 -567.53334 12180.017
2080 275.8888 -3108.7936 -2698.4299 -627.05262 12180.941
2090 277.14529 -3107.7671 -2695.5345 -651.79279 12181.851
2100 278.43189 -3108.604 -2694.4577 -693.84898 12182.747
2110 280.12185 -3109.892 -2693.232 -742.79943 12183.628
2120 282.63335 -3111.5719 -2691.1762 -800.81597 12184.493
2130 285.5204 -3111.9694 -2687.2795 -845.69801 12185.341
2140 288.00411 -3113.7496 -2685.3653 -898.15398 12186.17
2150 289.77874 -3116.0125 -2684.9886 -945.12377 12186.979
2160 291.11303 -3117.6601 -2684.6515 -975.10711 12187.768
2170 291.97058 -3119.1928 -2684.9087 -991.2467 12188.536
2180 291.57725 -3119.0696 -2685.3706 -969.77521 12189.282
2190 289.09914 -3116.4919 -2686.4789 -895.11932 12190.008
2200 284.64695 -3113.1298 -2689.739 -787.88416 12190.713
2210 279.34128 -3109.8796 -2694.3806 -672.53722 12191.402
2220 274.58254 -3106.936 -2698.5152 -568.52582 12192.076
2230 271.11743 -3104.6344 -2701.3678 -490.41256 12192.737
2240 269.02276 -3102.3796 -2702.2287 -433.58155 12193.387
2250 267.94982 -3100.2788 -2701.7237 -396.34842 12194.029
2260 267.75562 -3099.537 -2701.2708 -388.62396 12194.661
2270 268.4723 -3099.6482 -2700.3161 -402.44586 12195.285
2280 269.95423 -3101.9467 -2700.4102 -449.66585 12195.9
2290 272.00914 -3103.7754 -2699.1825 -499.53941 12196.506
2300 274.53245 -3105.9743 -2697.6281 -562.27777 12197.1
2310 277.51395 -3108.1403 -2695.3593 -635.34256 12197.682
2320 280.99007 -3108.7249 -2690.7734 -704.06604 12198.251
2330 285.04847 -3111.3486 -2687.3606 -807.49075 12198.804
2340 289.48471 -3113.8762 -2683.2897 -918.06887 12199.339
2350 293.98792 -3115.7969 -2678.5122 -1022.1687 12199.855
2360 297.92236 -3118.1795 -2675.0425 -1118.7942 12200.348
2370 300.2419 -3120.7184 -2674.1313 -1187.3282 12200.817
2380 299.81165 -3116.9852 -2671.0381 -1143.9835 12201.26
2390 296.24791 -3116.8002 -2676.1538 -1093.0415 12201.678
2400 290.4768 -3111.0437 -2678.9815 -948.7079 12202.072
2410 284.27436 -3106.3977 -2683.5612 -808.18741 12202.446
2420 279.6649 -3102.6346 -2686.6542 -694.96513 12202.802
2430 277.7034 -3101.3847 -2688.322 -641.29672 12203.143
2440 278.07467 -3100.0243 -2686.4093 -617.18007 12203.47
2450 279.83753 -3102.1395 -2685.9024 -649.58129 12203.783
2460 281.78284 -3102.8189 -2683.6882 -670.30429 12204.082
2470 282.8855 -3103.088 -2682.3173 -678.28727 12204.367
2480 282.93305 -3103.168 -2682.3265 -674.00081 12204.637
2490 282.71334 -3102.5107 -2681.996 -660.96845 12204.892
2500 283.15292 -3102.3794 -2681.2109 -662.68254 12205.132
2510 284.26264 -3104.2299 -2681.4108 -694.68164 12205.359
2520 285.16295 -3104.0697 -2679.9114 -706.30915 12205.57
2530 285.29118 -3103.4236 -2679.0746 -710.49021 12205.765
2540 285.3316 -3102.4427 -2678.0335 -716.07685 12205.945
2550 286.6477 -3103.664 -2677.2973 -762.44409 12206.11
2560 289.71276 -3106.282 -2675.3563 -842.42118 12206.258
2570 293.45017 -3108.7776 -2672.2927 -926.15165 12206.387
2580 296.4399 -3112.2528 -2671.3209 -1006.6552 12206.496
2590 297.46614 -3112.5829 -2670.1246 -1023.4061 12206.583
2600 295.84345 -3111.5858 -2671.541 -987.64311 12206.649
2610 292.06769 -3109.6605 -2675.232 -909.1984 12206.692
2620 287.68132 -3105.8075 -2677.9033 -795.64693 12206.716
2630 283.8278 -3102.1214 -2679.949 -687.1231 12206.723
2640 280.9256 -3099.9894 -2682.1339 -607.41828 12206.714
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3270 290.58797 -3097.1414 -2664.9138 70.927599 12182.477
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3360 294.86533 -3099.3315 -2660.7417 21.343399 12176.885
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3550 298.30943 -3096.9801 -2653.2674 18.923242 12164.088
3560 294.97748 -3093.7864 -2655.0297 113.54256 12163.366
3570 294.9445 -3093.2317 -2654.5241 141.88795 12162.647
3580 297.75331 -3095.9938 -2653.1083 98.939202 12161.93
3590 302.44436 -3099.3416 -2649.4785 27.571508 12161.216
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3670 304.76913 -3101.733 -2648.412 71.260918 12155.484
3680 303.48861 -3098.2224 -2646.8061 127.23011 12154.77
3690 302.10104 -3097.5226 -2648.1702 154.09256 12154.058
3700 300.7256 -3096.7013 -2649.3948 180.90249 12153.349
3710 299.75341 -3096.4659 -2650.6055 195.99464 12152.645
3720 299.61498 -3096.8958 -2651.2412 193.3547 12151.945
3730 300.69288 -3098.5578 -2651.3 162.5093 12151.249
3740 302.94388 -3098.3963 -2647.7903 138.92788 12150.556
3750 305.24675 -3099.4603 -2645.4288 102.96313 12149.867
3760 305.8599 -3100.7532 -2645.8097 84.573845 12149.18
3770 303.70971 -3100.1059 -2648.3607 118.02803 12148.496
3780 299.48194 -3097.9322 -2652.4755 191.54501 12147.814
3790 295.25612 -3094.5803 -2655.4092 279.62426 12147.136
3800 292.70731 -3092.8317 -2657.4518 331.39744 12146.465
3810 292.80136 -3093.9813 -2658.4615 320.35901 12145.8
3820 295.95725 -3097.5723 -2657.3583 247.99302 12145.143
3830 301.29957 -3101.7264 -2653.5661 146.80592 12144.491
3840 306.67469 -3104.4579 -2648.3026 64.381019 12143.842
3850 309.97557 -3106.3234 -2645.2582 18.127662 12143.195
3860 310.7372 -3106.5586 -2644.3605 22.660118 12142.548
3870 309.85523 -3105.6107 -2644.7245 61.967843 12141.902
3880 308.78077 -3106.6193 -2647.3314 85.121724 12141.258
3890 308.33787 -3106.423 -2647.7938 116.02893 12140.615
3900 308.59432 -3107.4436 -2648.4329 125.54531 12139.975
3910 309.55939 -3108.1125 -2647.6664 132.15843 12139.338
3920 310.72283 -3109.2045 -2647.0279 135.86547 12138.703
3930 310.86474 -3108.9571 -2646.5693 169.62568 12138.072
3940 309.30558 -3108.0075 -2647.9389 232.91253 12137.445
3950 306.94755 -3106.6855 -2650.1243 313.07204 12136.822
3960 305.13928 -3103.5675 -2649.6959 411.2959 12136.207
3970 304.18682 -3102.448 -2649.9931 480.8017 12135.601
3980 303.473 -3100.8627 -2649.4696 550.38849 12135.006
3990 302.46697 -3097.8632 -2647.9665 631.60117 12134.422
4000 301.25705 -3095.4904 -2647.3933 698.53271 12133.853
4010 300.48184 -3094.6476 -2647.7036 730.98233 12133.298
4020 301.13107 -3093.2317 -2645.3221 742.47319 12132.759
4030 303.26832 -3096.0293 -2644.9407 681.74076 12132.237
4040 305.92341 -3099.8985 -2644.8606 596.75398 12131.729
4050 307.7854 -3100.9013 -2643.0939 546.78174 12131.234
4060 308.36786 -3102.3281 -2643.6543 504.28684 12130.751
4070 308.05339 -3103.4357 -2645.2297 473.54428 12130.279
4080 307.85364 -3103.978 -2646.0691 446.30964 12129.817
4090 308.82889 -3103.4882 -2644.1286 418.43734 12129.365
4100 311.14763 -3104.9945 -2642.186 356.51173 12128.923
4110 313.9051 -3107.7736 -2640.8636 281.59039 12128.488
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4140 311.92899 -3108.5945 -2644.6238 294.58897 12127.217
4150 309.88477 -3108.4681 -2647.538 334.66068 12126.806
4160 309.39718 -3107.7465 -2647.5416 370.50454 12126.402
4170 310.19375 -3107.1341 -2645.7444 392.39948 12126.005
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4210 308.86677 -3104.9017 -2645.4858 467.97219 12124.508
4220 306.80424 -3101.7488 -2645.4008 519.09846 12124.157
4230 304.58823 -3100.4477 -2647.3958 546.46464 12123.818
4240 303.79016 -3102.1213 -2650.2565 522.90531 12123.491
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4260 310.22611 -3104.3896 -2642.9518 401.02941 12122.869
4270 315.41276 -3106.8984 -2637.7459 308.28591 12122.572
4280 319.25681 -3110.3132 -2635.4429 226.59991 12122.282
4290 320.576 -3109.7423 -2632.9097 222.19793 12121.997
4300 319.6144 -3111.2959 -2635.8937 225.16104 12121.717
4310 317.59606 -3111.0894 -2638.6893 264.05971 12121.442
4320 315.80897 -3110.6754 -2640.9335 303.7827 12121.173
4330 315.40433 -3110.8441 -2641.7041 321.39934 12120.91
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4350 318.13126 -3112.4362 -2639.2401 300.38198 12120.405
4360 318.81213 -3114.1367 -2639.9278 289.95948 12120.162
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4380 314.50498 -3107.4916 -2639.6893 453.67075 12119.698
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4410 303.90617 -3098.8428 -2646.8054 745.43087 12119.08
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4430 302.6205 -3096.4776 -2646.3526 815.87657 12118.746
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4480 301.41115 -3094.3977 -2646.0715 810.15839 12118.209
4490 299.68639 -3094.0624 -2648.3017 821.02406 12118.153
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4530 300.68527 -3095.611 -2648.3645 775.68695 12118.107
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4550 304.94815 -3096.6258 -2643.0385 698.4422 12118.187
4560 308.61112 -3098.7504 -2639.7147 622.05254 12118.25
4570 313.09844 -3103.9034 -2638.1932 503.52494 12118.327
4580 317.84714 -3106.902 -2634.1285 409.55538 12118.415
4590 321.65066 -3109.1467 -2630.7157 337.62964 12118.512
4600 323.53813 -3111.0521 -2629.8136 295.00833 12118.616
4610 323.22868 -3110.9402 -2630.162 303.63279 12118.727
4620 320.86478 -3109.718 -2632.4559 349.51961 12118.844
4630 316.96111 -3107.9262 -2636.4705 417.03814 12118.969
4640 313.29917 -3105.014 -2639.0052 491.54819 12119.104
4650 312.12996 -3102.9129 -2638.6433 528.75511 12119.248
4660 314.04895 -3104.7285 -2637.6045 490.91984 12119.404
4670 317.49788 -3106.7174 -2634.4634 437.03907 12119.571
4680 320.23987 -3110.1173 -2633.7848 379.75461 12119.747
4690 320.41739 -3109.6272 -2633.0306 398.4615 12119.932
4700 317.02884 -3108.2672 -2636.7109 469.2118 12120.125
4710 310.68735 -3102.32 -2640.1961 621.30941 12120.329
4720 303.94963 -3096.9793 -2644.8772 764.21984 12120.546
4730 300.16085 -3094.1237 -2647.6572 837.75924 12120.78
4740 300.93796 -3094.2559 -2646.6335 815.88553 12121.032
4750 305.45126 -3097.5046 -2643.169 706.6098 12121.301
4760 311.51317 -3101.726 -2638.3738 560.06044 12121.585
4770 317.03695 -3109.3358 -2637.7673 378.85238 12121.882
4780 320.55528 -3114.5572 -2637.7555 249.21875 12122.186
4790 321.19751 -3114.0673 -2636.3103 221.93008 12122.497
4800 318.68346 -3112.1086 -2638.0911 257.88797 12122.813
4810 313.19086 -3110.1444 -2644.2968 338.09593 12123.134
4820 305.87711 -3104.7538 -2649.7848 483.22014 12123.463
4830 298.68226 -3097.4883 -2653.2211 649.75992 12123.803
4840 293.70253 -3092.7825 -2655.9222 761.55318 12124.156
4850 292.6819 -3093.8678 -2658.5256 764.03141 12124.526
4860 296.00011 -3096.8385 -2656.5608 697.32575 12124.912
4870 301.99077 -3102.0744 -2652.886 579.6349 12125.314
4880 307.31886 -3105.728 -2648.6145 490.33488 12125.728
4890 309.47689 -3105.142 -2644.8186 485.93331 12126.153
4900 308.37577 -3104.5857 -2645.9001 520.72488 12126.589
4910 305.56311 -3101.743 -2647.241 601.00025 12127.036
4920 302.66669 -3098.9671 -2648.7734 678.04057 12127.497
4930 300.94454 -3099.4988 -2651.8666 697.29289 12127.971
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4960 305.74493 -3105.374 -2650.6016 539.60509 12129.485
4970 307.63359 -3106.6872 -2649.1056 476.08172 12130.015
4980 308.30443 -3106.7657 -2648.1862 436.49081 12130.556
4990 308.19911 -3105.0425 -2646.6197 426.79776 12131.106
5000 307.55468 -3104.601 -2647.1367 410.70391 12131.666
5010 306.43783 -3103.7819 -2647.9789 405.07074 12132.234
5020 305.33604 -3102.0551 -2647.8909 407.81901 12132.812
5030 305.55024 -3102.9622 -2648.4794 368.43668 12133.398
5040 307.67541 -3104.606 -2646.9621 303.355 12133.992
5050 311.19585 -3106.9702 -2644.0899 221.45222 12134.593
5060 314.57203 -3108.8269 -2640.9249 155.57297 12135.199
5070 315.59648 -3108.5491 -2639.1233 150.0668 12135.809
5080 312.39063 -3107.2583 -2642.6009 210.38555 12136.422
5090 305.26064 -3101.7851 -2647.733 363.52175 12137.04
5100 296.85686 -3095.4299 -2653.8778 541.12941 12137.666
5110 290.25274 -3091.3008 -2659.5718 671.16478 12138.304
5120 287.3961 -3088.9789 -2661.499 731.67261 12138.956
5130 289.2797 -3089.5185 -2659.2369 700.74483 12139.624
5140 295.06068 -3094.3529 -2655.4725 572.31412 12140.306
5150 302.55175 -3100.8138 -2650.791 402.35961 12141.002
5160 309.82715 -3106.5797 -2645.7353 243.63191 12141.706
5170 315.56406 -3110.4622 -2641.0846 126.03493 12142.416
5180 318.99838 -3113.6975 -2639.2116 46.396169 12143.129
5190 319.73148 -3113.9868 -2638.4105 33.331869 12143.842
5200 318.05751 -3111.7 -2638.6136 76.547888 12144.557
5210 314.9127 -3108.7646 -2640.3558 138.61156 12145.274
5220 311.95589 -3106.7739 -2642.7631 182.35675 12145.994
5230 310.79726 -3105.4306 -2643.1432 192.73479 12146.718
5240 312.23317 -3106.0312 -2641.608 147.36264 12147.446
5250 315.25895 -3107.7732 -2638.8494 65.912071 12148.178
5260 317.87226 -3109.4529 -2636.642 -14.614653 12148.911
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5280 316.86123 -3110.8635 -2639.5564 -86.289448 12150.376
5290 313.39072 -3107.2998 -2641.1549 -37.80822 12151.106
5300 309.33934 -3104.1923 -2644.0735 17.421313 12151.835
5310 305.87499 -3100.7657 -2645.7998 75.37473 12152.565
5320 303.59233 -3099.9976 -2648.427 95.96374 12153.297
5330 302.46791 -3098.8361 -2648.938 111.07124 12154.031
5340 301.70487 -3097.835 -2649.0719 122.53197 12154.768
5350 300.27641 -3096.9576 -2650.3192 139.81515 12155.507
5360 298.52012 -3095.951 -2651.9249 161.55241 12156.25
5370 298.10753 -3096.5443 -2653.1319 150.70506 12156.996
5380 300.39201 -3096.6603 -2649.85 117.61031 12157.746
5390 304.81142 -3100.7183 -2647.3344 18.460065 12158.498
5400 310.23826 -3104.0065 -2642.5506 -81.102995 12159.251
5410 315.45024 -3108.1791 -2638.9708 -182.2783 12160.002
5420 318.76712 -3110.7135 -2636.5716 -237.17665 12160.749
5430 318.50356 -3111.1793 -2637.4294 -221.67885 12161.492
5440 314.01707 -3107.3559 -2640.2793 -106.24386 12162.231
5450 306.30773 -3099.9087 -2644.2992 87.43129 12162.967
5460 297.75646 -3093.6341 -2650.7439 275.66387 12163.706
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8270 300.4813 -3126.178 -2679.2349 766.34373 12044.698
8280 301.01062 -3126.515 -2678.7845 767.53325 12044.051
8290 302.0426 -3126.5954 -2677.3299 769.5654 12043.421
8300 303.32848 -3126.4854 -2675.3072 771.97967 12042.808
8310 303.78953 -3128.2124 -2676.3485 761.8686 12042.211
8320 302.98169 -3125.895 -2675.2327 806.38836 12041.63
8330 301.57835 -3125.603 -2677.028 828.69708 12041.066
8340 300.75263 -3124.9838 -2677.637 843.45151 12040.52
8350 300.72618 -3126.188 -2678.8806 825.92477 12039.992
8360 301.0743 -3127.5593 -2679.7341 801.51159 12039.481
8370 301.50747 -3126.1023 -2677.6328 810.89963 12038.987
8380 301.65582 -3125.9927 -2677.3026 816.81959 12038.511
8390 300.63346 -3124.156 -2676.9865 859.60421 12038.052
8400 298.66436 -3120.3786 -2676.138 935.98957 12037.612
8410 297.19609 -3117.9229 -2675.8663 990.57835 12037.191
8420 297.79671 -3116.8559 -2673.9058 1000.8524 12036.791
8430 301.66969 -3120.5059 -2671.7951 915.92695 12036.413
8440 309.05347 -3126.5689 -2666.8753 760.32577 12036.053
8450 318.72401 -3133.2803 -2659.2025 573.11512 12035.71
8460 327.66411 -3139.2769 -2651.9014 408.07543 12035.38
8470 332.25495 -3143.2421 -2649.038 324.75477 12035.058
8480 330.00426 -3141.0753 -2650.219 396.29399 12034.743
8490 321.21668 -3133.8162 -2656.0307 604.1543 12034.437
8500 309.29372 -3124.5831 -2664.5321 872.13072 12034.144
8510 298.72906 -3118.5458 -2674.209 1087.0445 12033.87
8520 292.69076 -3112.8438 -2677.4885 1238.5636 12033.618
8530 291.8778 -3112.2367 -2678.0905 1261.6198 12033.393
8540 295.19539 -3113.8755 -2674.7948 1199.6013 12033.194
8550 300.42225 -3119.4053 -2672.5499 1064.6319 12033.021
8560 304.81817 -3123.2226 -2669.8287 953.31617 12032.87
8570 306.79763 -3125.7617 -2669.4235 885.22159 12032.74
8580 306.33283 -3125.4267 -2669.7798 885.37939 12032.628
8590 304.08426 -3125.1091 -2672.8068 917.93978 12032.536
8600 300.66817 -3123.7289 -2676.5078 986.7149 12032.463
8610 296.63098 -3120.409 -2679.1929 1089.3672 12032.411
8620 293.17791 -3115.8438 -2679.7639 1198.5336 12032.383
8630 291.45609 -3112.9263 -2679.4074 1263.5511 12032.38
8640 292.0546 -3111.334 -2676.9249 1276.5395 12032.403
8650 295.29219 -3113.2928 -2674.068 1210.1873 12032.454
8660 300.54259 -3118.8329 -2671.7986 1074.3755 12032.53
8670 306.10053 -3123.5643 -2668.2629 940.05852 12032.629
8680 310.06763 -3126.6306 -2665.4285 841.74616 12032.749
8690 311.64935 -3127.6579 -2664.1031 795.14071 12032.886
8700 311.60618 -3126.5931 -2663.1025 795.0568 12033.041
8710 311.02645 -3126.0242 -2663.3959 800.51939 12033.212
8720 310.90095 -3126.3456 -2663.904 795.36369 12033.401
8730 312.02007 -3127.5315 -2663.4253 771.6531 12033.606
8740 314.07026 -3128.4108 -2661.2551 746.95141 12033.828
8750 314.77539 -3127.69 -2659.4854 758.43681 12034.067
8760 311.88008 -3124.3552 -2660.4572 839.22394 12034.321
8770 305.84611 -3119.8256 -2664.9027 967.69532 12034.594
8780 299.38588 -3115.0916 -2669.7777 1100.9725 12034.887
8790 295.38097 -3112.7208 -2673.364 1174.0352 12035.203
8800 295.56303 -3112.6411 -2673.0135 1165.6438 12035.545
8810 299.75651 -3115.2403 -2669.3752 1073.1189 12035.911
8820 306.32047 -3119.9945 -2664.366 924.99129 12036.3
8830 312.83335 -3125.6273 -2660.3114 765.60421 12036.709
8840 317.44957 -3130.007 -2657.8248 641.44931 12037.134
8850 319.65762 -3131.2774 -2655.8109 583.10443 12037.574
8860 319.63566 -3132.3465 -2656.9126 558.6352 12038.026
8870 317.90518 -3128.2376 -2655.3777 618.55018 12038.49
8880 315.26054 -3125.3714 -2656.4452 681.69899 12038.968
8890 313.01815 -3122.6997 -2657.109 742.09928 12039.46
8900 312.17365 -3122.726 -2658.3913 757.24837 12039.969
8910 312.69118 -3122.9241 -2657.8197 753.36779 12040.493
8920 313.59856 -3122.7769 -2656.3228 745.55968 12041.034
8930 314.1362 -3122.7305 -2655.4767 737.49888 12041.591
8940 314.30223 -3122.2561 -2654.7554 737.36114 12042.164
8950 314.22889 -3123.5641 -2656.1724 722.86206 12042.752
8960 313.46563 -3123.1417 -2656.8853 738.04569 12043.357
8970 311.64242 -3125.1619 -2661.6175 742.18433 12043.977
8980 308.90311 -3124.0844 -2664.6144 795.26105 12044.613
8990 305.52882 -3123.5522 -2669.1012 851.38883 12045.267
9000 301.87747 -3120.9611 -2671.9412 930.41297 12045.938
9010 298.73769 -3118.2529 -2673.9033 998.2267 12046.63
9020 297.60084 -3116.8877 -2674.229 1022.8353 12047.344
9030 299.69639 -3116.5261 -2670.7505 997.82922 12048.079
9040 304.56434 -3119.1688 -2666.1524 908.82339 12048.836
9050 310.23549 -3123.897 -2662.4453 789.82952 12049.613
9060 314.42228 -3126.2547 -2658.5754 716.17966 12050.406
9070 315.58894 -3126.8551 -2657.4405 698.55756 12051.216
9080 313.89464 -3124.3798 -2657.4853 751.85691 12052.041
9090 310.9028 -3120.2151 -2657.7708 846.37373 12052.882
9100 307.66193 -3116.2503 -2658.6265 948.73344 12053.741
9110 303.85399 -3114.7297 -2662.7699 1035.0972 12054.621
9120 298.44583 -3112.3296 -2668.4141 1146.7876 12055.524
9130 291.4417 -3106.9463 -2673.4489 1301.6904 12056.451
9140 284.62907 -3103.6937 -2680.3295 1420.1 12057.406
9150 280.80748 -3101.2527 -2683.5729 1485.6252 12058.392
9160 281.12604 -3102.2467 -2684.0931 1457.0018 12059.41
9170 284.08997 -3104.0361 -2681.4738 1378.7957 12060.459
9180 287.52471 -3106.0614 -2678.3902 1281.5282 12061.538
9190 290.74191 -3106.7258 -2674.2692 1193.9882 12062.645
9200 294.02124 -3107.5664 -2670.2321 1102.0607 12063.778
9210 296.96946 -3109.721 -2668.0014 1000.5223 12064.935
9220 298.62847 -3109.2657 -2665.0785 941.57982 12066.113
9230 298.51564 -3108.9674 -2664.948 901.56761 12067.313
9240 296.71443 -3108.6342 -2667.294 881.41259 12068.532
9250 294.4428 -3106.4829 -2668.5215 885.8072 12069.77
9260 293.76326 -3104.8128 -2667.8623 867.31103 12071.028
9270 296.05954 -3109.3329 -2668.9668 751.12528 12072.305
9280 301.24238 -3114.311 -2666.2358 602.43699 12073.598
9290 308.3735 -3119.6613 -2660.9791 435.89206 12074.904
9300 315.57347 -3123.7485 -2654.3569 291.84247 12076.22
9310 320.76698 -3127.9355 -2650.8189 179.11297 12077.543
9320 322.70952 -3131.2348 -2651.2288 119.35996 12078.871
9330 321.70512 -3129.6827 -2651.1707 149.00302 12080.202
9340 319.21967 -3128.1317 -2653.3166 194.47703 12081.537
9350 317.12754 -3126.9018 -2655.1986 229.67289 12082.876
9360 316.38766 -3126.3618 -2655.7592 240.61069 12084.221
9370 316.37127 -3123.9067 -2653.3284 262.10995 12085.571
9380 315.97175 -3122.07 -2652.0859 278.74028 12086.928
9390 314.69135 -3121.1084 -2653.0288 293.55795 12088.291
9400 312.74066 -3120.795 -2655.617 306.13509 12089.661
9410 310.60404 -3119.8125 -2657.8125 326.08953 12091.038
9420 308.44208 -3116.4453 -2657.6611 371.78704 12092.423
9430 305.95688 -3114.9251 -2659.8375 400.39594 12093.816
9440 303.29147 -3114.0507 -2662.9276 424.05927 12095.218
9450 301.5182 -3112.9717 -2664.4863 440.82856 12096.63
9460 301.7596 -3113.3688 -2664.5243 422.27292 12098.052
9470 303.35797 -3113.6707 -2662.4487 390.8908 12099.484
9480 304.68446 -3112.8313 -2659.6363 373.94695 12100.924
9490 304.7541 -3111.9094 -2658.6108 369.98457 12102.373
9500 303.31775 -3111.6259 -2660.4638 373.22148 12103.831
9510 300.60041 -3111.1082 -2663.9879 389.74984 12105.298
9520 297.76253 -3108.5209 -2665.6217 425.93662 12106.773
9530 296.65505 -3107.7142 -2666.4623 420.52081 12108.258
9540 298.20519 -3108.8965 -2665.3389 360.8735 12109.753
9550 302.26125 -3112.735 -2663.1442 244.08195 12111.256
9560 307.69442 -3117.9341 -2660.262 99.994737 12112.764
9570 312.74317 -3122.8228 -2657.641 -27.816835 12114.276
9580 315.20355 -3124.0649 -2655.2236 -75.911865 12115.788
9590 313.68902 -3121.8645 -2655.2759 -33.727977 12117.298
9600 308.9453 -3115.7746 -2656.2419 93.512119 12118.809
9610 302.73028 -3109.4395 -2659.1512 240.60465 12120.322
9620 296.76357 -3104.0972 -2662.6839 368.20401 12121.841
9630 292.42974 -3101.1115 -2666.1444 440.77538 12123.368
9640 290.73046 -3101.0212 -2668.5816 438.18529 12124.906
9650 292.40677 -3103.2297 -2668.2968 360.59489 12126.453
9660 297.26387 -3105.0823 -2662.9249 243.81353 12128.008
9670 303.71405 -3110.8304 -2659.0788 65.909357 12129.57
9680 309.06407 -3114.5155 -2654.8061 -72.966884 12131.133
9690 310.93007 -3114.8835 -2652.3986 -132.28866 12132.695
9700 309.29983 -3113.643 -2653.583 -130.8982 12134.256
9710 306.71141 -3110.3234 -2654.1134 -90.684412 12135.814
9720 306.09123 -3109.5013 -2654.2138 -92.011293 12137.371
9730 308.05692 -3110.485 -2652.2737 -133.56728 12138.926
9740 310.42199 -3112.8368 -2651.1077 -188.72557 12140.479
9750 310.62905 -3114.3881 -2652.351 -208.02299 12142.028
9760 307.92682 -3112.8258 -2654.8079 -158.09373 12143.574
9770 303.21338 -3109.5276 -2658.5207 -64.565218 12145.116
9780 298.12337 -3104.7518 -2661.3159 52.422686 12146.658
9790 293.80036 -3103.8767 -2666.8709 118.3851 12148.202
9800 291.10151 -3102.4602 -2669.4688 170.11502 12149.749
9810 290.45043 -3100.3135 -2668.2905 203.79294 12151.3
9820 291.74467 -3100.8977 -2666.9496 183.65751 12152.855
9830 293.93811 -3102.4635 -2665.2529 139.13167 12154.416
9840 295.26212 -3102.6721 -2663.4921 112.91465 12155.979
9850 294.6282 -3099.4774 -2661.2403 137.13102 12157.546
9860 292.76194 -3098.4543 -2662.9931 142.19331 12159.117
9870 291.66905 -3097.2571 -2663.4215 133.59257 12160.691
9880 293.12101 -3098.089 -2662.0938 72.729095 12162.268
9890 296.8513 -3103.3679 -2661.8241 -58.820333 12163.847
9900 300.4474 -3105.6417 -2658.7489 -150.43916 12165.426
9910 301.45509 -3105.8448 -2657.4532 -185.0669 12167.002
9920 299.50819 -3103.1627 -2657.667 -151.60129 12168.575
9930 296.78904 -3099.9968 -2658.5456 -101.65231 12170.145
9940 296.32442 -3099.55 -2658.7899 -104.33901 12171.713
9950 299.24472 -3103.9114 -2658.8076 -197.39828 12173.279
9960 304.41543 -3108.4892 -2655.6943 -322.99741 12174.842
9970 310.2243 -3112.6516 -2651.2165 -456.5508 12176.398
9980 315.32365 -3116.6383 -2647.6183 -581.88834 12177.944
9990 318.62429 -3116.9494 -2643.0199 -645.86627 12179.479
10000 319.22187 -3118.2624 -2643.444 -686.57936 12180.999
Loop time of 3.0588 on 1 procs for 10000 steps with 500 atoms
Performance: 282.464 ns/day, 0.085 hours/ns, 3269.256 timesteps/s
100.0% CPU use with 1 MPI tasks x no OpenMP threads
MPI task timing breakdown:
Section | min time | avg time | max time |%varavg| %total
---------------------------------------------------------------
Pair | 2.4462 | 2.4462 | 2.4462 | 0.0 | 79.97
Bond | 0.00065017 | 0.00065017 | 0.00065017 | 0.0 | 0.02
Neigh | 0.052088 | 0.052088 | 0.052088 | 0.0 | 1.70
Comm | 0.08725 | 0.08725 | 0.08725 | 0.0 | 2.85
Output | 0.0084825 | 0.0084825 | 0.0084825 | 0.0 | 0.28
Modify | 0.33259 | 0.33259 | 0.33259 | 0.0 | 10.87
Other | | 0.1315 | | | 4.30
Nlocal: 500 ave 500 max 500 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 1579 ave 1579 max 1579 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 14607 ave 14607 max 14607 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 14607
Ave neighs/atom = 29.214
Ave special neighs/atom = 0
Neighbor list builds = 55
Dangerous builds = 0
#write_data lj-out.data
Total wall time: 0:00:03
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