a04f267b54
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10655 f3b2605a-c512-4ea7-a41b-209d697bcdaa
448 lines
31 KiB
Plaintext
448 lines
31 KiB
Plaintext
LAMMPS (24 Aug 2013)
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Reading data file ...
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orthogonal box = (-64.86 -16.215 -16.215) to (64.86 16.215 16.215)
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4 by 1 by 1 MPI processor grid
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3456 atoms
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3456 velocities
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Lattice spacing in x,y,z = 5.405 5.405 5.405
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2880 atoms in group internal
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576 atoms in group ghost
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ATC: constructing two_temperature coupling with parameter file Ar_ttm.mat
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ATC: version 2.0
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ATC: peratom PE compute created with ID: 3
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ATC: 2 materials defined from Ar_ttm.mat
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ATC: creating two_temperature extrinsic model
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ATC: 2 materials defined from Ar_ttm.mat
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ATC: created uniform mesh with 60 nodes, 15 unique nodes, and 14 elements
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ATC: created faceset bndy with 2 faces
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ATC: created nodeset lbc with 1 nodes
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ATC: created nodeset rbc with 1 nodes
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ATC: Warning : text output can create _LARGE_ files
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ATC: output custom names:
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Setting up run ...
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Memory usage per processor = 57.8906 Mbytes
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Step Temp E_pair E_mol TotEng Press
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0 16.671491 -6505.7593 0 -6334.0647 -1236.2423
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10 16.651702 -6505.5537 0 -6334.0628 -1236.063
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20 16.530147 -6504.2726 0 -6334.0336 -1232.9375
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30 16.484722 -6503.7603 0 -6333.9891 -1231.0693
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40 16.543921 -6504.3216 0 -6333.9407 -1231.4896
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50 16.594956 -6504.742 0 -6333.8355 -1231.8563
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60 16.569017 -6504.3692 0 -6333.7298 -1230.774
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70 16.505606 -6503.6167 0 -6333.6304 -1229.192
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80 16.499938 -6503.445 0 -6333.5172 -1229.1013
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90 16.523216 -6503.6045 0 -6333.4369 -1229.6947
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100 16.50815 -6503.3717 0 -6333.3592 -1229.2848
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110 16.515727 -6503.3742 0 -6333.2837 -1229.1999
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120 16.568227 -6503.8633 0 -6333.2321 -1230.0838
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130 16.554875 -6503.6751 0 -6333.1814 -1229.6147
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140 16.473418 -6502.736 0 -6333.0812 -1227.7488
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150 16.469779 -6502.5515 0 -6332.9342 -1227.6072
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160 16.579808 -6503.5343 0 -6332.7839 -1229.6569
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170 16.624355 -6503.8397 0 -6332.6305 -1229.6117
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180 16.501717 -6502.3771 0 -6332.4309 -1225.3561
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190 16.38836 -6500.9674 0 -6332.1886 -1221.4976
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200 16.484583 -6501.7505 0 -6331.9808 -1223.1581
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210 16.699218 -6503.7793 0 -6331.7991 -1228.2054
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220 16.791883 -6504.5481 0 -6331.6135 -1230.5561
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230 16.748089 -6503.9202 0 -6331.4366 -1229.2129
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240 16.665848 -6502.849 0 -6331.2124 -1226.4068
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250 16.621244 -6502.1715 0 -6330.9943 -1224.5035
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260 16.658103 -6502.3533 0 -6330.7965 -1224.8892
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270 16.73917 -6502.9656 0 -6330.5739 -1226.6044
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280 16.804864 -6503.449 0 -6330.3807 -1227.9288
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290 16.798754 -6503.1257 0 -6330.1204 -1227.0908
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300 16.696317 -6501.801 0 -6329.8507 -1223.5728
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310 16.591132 -6500.3983 0 -6329.5312 -1219.6957
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320 16.562111 -6499.7683 0 -6329.2001 -1217.6592
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330 16.629363 -6500.1642 0 -6328.9034 -1218.1364
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340 16.735603 -6500.9663 0 -6328.6114 -1219.8661
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350 16.849016 -6501.8915 0 -6328.3686 -1222.1919
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360 16.987179 -6503.0918 0 -6328.146 -1225.3559
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370 17.069822 -6503.7253 0 -6327.9283 -1227.2178
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380 16.971748 -6502.4322 0 -6327.6452 -1224.4888
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390 16.743421 -6499.7171 0 -6327.2816 -1218.0665
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400 16.574707 -6497.5174 0 -6326.8195 -1212.3609
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410 16.567165 -6496.9841 0 -6326.3639 -1210.1955
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420 16.671594 -6497.63 0 -6325.9343 -1210.904
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430 16.808398 -6498.6163 0 -6325.5117 -1212.8577
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440 16.918714 -6499.3848 0 -6325.1441 -1214.747
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450 16.998405 -6499.8251 0 -6324.7637 -1216.1874
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460 17.10197 -6500.4966 0 -6324.3686 -1217.9781
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470 17.199373 -6501.0956 0 -6323.9645 -1219.067
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480 17.13357 -6500.0354 0 -6323.5819 -1216.039
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490 16.93992 -6497.6895 0 -6323.2304 -1210.2729
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500 16.919171 -6497.0726 0 -6322.8272 -1209.112
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510 17.178559 -6499.324 0 -6322.4072 -1215.185
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520 17.480271 -6502.0281 0 -6322.004 -1222.3709
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530 17.559599 -6502.4375 0 -6321.5964 -1223.4721
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540 17.389395 -6500.2917 0 -6321.2036 -1217.4915
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550 17.142307 -6497.3088 0 -6320.7653 -1209.0976
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560 17.016535 -6495.5085 0 -6320.2603 -1204.0875
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570 17.15099 -6496.3909 0 -6319.7581 -1206.2345
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580 17.393207 -6498.4177 0 -6319.2903 -1211.648
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590 17.504872 -6499.1261 0 -6318.8487 -1213.8125
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600 17.50042 -6498.6414 0 -6318.4099 -1212.1098
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610 17.4061 -6497.2202 0 -6317.9601 -1207.3648
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620 17.22091 -6494.8032 0 -6317.4502 -1200.5893
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630 17.102413 -6493.0314 0 -6316.8988 -1196.2011
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640 17.14837 -6492.9093 0 -6316.3034 -1196.5877
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650 17.311633 -6493.9989 0 -6315.7116 -1200.1082
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660 17.482989 -6495.2111 0 -6315.159 -1203.3105
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670 17.519696 -6495.0677 0 -6314.6376 -1202.497
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680 17.457193 -6493.979 0 -6314.1926 -1198.8639
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690 17.470926 -6493.6502 0 -6313.7223 -1197.0147
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700 17.576201 -6494.2448 0 -6313.2328 -1197.8262
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710 17.697946 -6495.0244 0 -6312.7586 -1199.4327
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720 17.743103 -6494.9538 0 -6312.223 -1199.244
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730 17.699824 -6493.9452 0 -6311.66 -1196.7936
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740 17.627913 -6492.6296 0 -6311.0851 -1193.4092
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750 17.550189 -6491.2436 0 -6310.4995 -1189.7943
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760 17.539131 -6490.5765 0 -6309.9463 -1187.8984
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770 17.673403 -6491.4348 0 -6309.4218 -1189.7512
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780 17.882198 -6493.0617 0 -6308.8983 -1193.7178
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790 18.009723 -6493.8707 0 -6308.394 -1195.7997
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800 17.980657 -6493.071 0 -6307.8937 -1193.6838
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810 17.825903 -6490.9583 0 -6307.3747 -1188.1001
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820 17.692389 -6489.0394 0 -6306.8308 -1183.0274
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830 17.710477 -6488.6565 0 -6306.2616 -1181.9361
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840 17.808308 -6489.0846 0 -6305.6822 -1183.0439
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850 17.829619 -6488.7131 0 -6305.0912 -1182.1869
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860 17.771389 -6487.5003 0 -6304.4781 -1179.1196
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870 17.820354 -6487.3692 0 -6303.8427 -1178.5734
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880 18.063604 -6489.2632 0 -6303.2316 -1183.0647
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890 18.369348 -6491.8491 0 -6302.6687 -1189.4257
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900 18.525924 -6492.9953 0 -6302.2024 -1192.3397
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910 18.472281 -6492.0337 0 -6301.7933 -1190.0789
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920 18.37238 -6490.561 0 -6301.3494 -1186.1632
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930 18.288209 -6489.215 0 -6300.8703 -1181.9804
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940 18.096723 -6486.6626 0 -6300.2899 -1174.8551
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950 17.882245 -6483.7851 0 -6299.6213 -1167.0946
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960 17.8674 -6482.9258 0 -6298.9148 -1164.4821
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970 18.099234 -6484.6335 0 -6298.2349 -1168.6512
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980 18.443659 -6487.5719 0 -6297.6262 -1176.2572
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990 18.703878 -6489.7033 0 -6297.0776 -1181.8775
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1000 18.753373 -6489.681 0 -6296.5456 -1181.8646
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1010 18.610912 -6487.6693 0 -6296.0011 -1176.5305
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1020 18.393457 -6484.8431 0 -6295.4144 -1168.9309
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1030 18.247899 -6482.6927 0 -6294.7631 -1162.9511
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1040 18.276615 -6482.3633 0 -6294.1379 -1161.3722
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1050 18.418211 -6483.2608 0 -6293.5772 -1163.046
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1060 18.5741 -6484.3103 0 -6293.0213 -1165.5673
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1070 18.664941 -6484.6974 0 -6292.4728 -1166.7911
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1080 18.621684 -6483.6725 0 -6291.8934 -1164.8739
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1090 18.539379 -6482.1923 0 -6291.2609 -1161.8634
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1100 18.568937 -6481.8626 0 -6290.6267 -1161.2468
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1110 18.683899 -6482.4285 0 -6290.0086 -1162.4732
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1120 18.808314 -6483.082 0 -6289.3808 -1163.5933
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1130 18.885127 -6483.3241 0 -6288.8318 -1163.2805
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1140 18.846866 -6482.3949 0 -6288.2967 -1160.2502
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1150 18.749156 -6480.8324 0 -6287.7405 -1156.1923
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1160 18.760163 -6480.3831 0 -6287.1778 -1155.1058
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1170 18.902121 -6481.2877 0 -6286.6205 -1157.2667
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1180 19.011404 -6481.8998 0 -6286.1071 -1158.6844
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1190 19.040403 -6481.7174 0 -6285.626 -1158.132
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1200 19.10627 -6481.8937 0 -6285.124 -1158.2836
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1210 19.229447 -6482.6321 0 -6284.5938 -1159.6849
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1220 19.239299 -6482.1937 0 -6284.0539 -1158.5989
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1230 19.157875 -6480.7862 0 -6283.485 -1155.4462
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1240 19.174924 -6480.42 0 -6282.9432 -1154.4872
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1250 19.286321 -6481.0795 0 -6282.4555 -1155.5865
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1260 19.320224 -6480.9586 0 -6281.9854 -1154.5897
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1270 19.190646 -6479.1568 0 -6281.5182 -1149.4077
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1280 18.995223 -6476.6094 0 -6280.9833 -1142.597
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1290 18.91464 -6475.156 0 -6280.3598 -1138.9782
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1300 19.050448 -6475.8736 0 -6279.6788 -1141.1025
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1310 19.272838 -6477.5301 0 -6279.045 -1145.5625
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1320 19.357725 -6477.7597 0 -6278.4003 -1146.3869
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1330 19.266515 -6476.2212 0 -6277.8012 -1142.4053
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1340 19.168361 -6474.558 0 -6277.1488 -1137.8241
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1350 19.2574 -6474.8131 0 -6276.487 -1137.9029
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1360 19.550594 -6477.1993 0 -6275.8536 -1143.4582
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1370 19.79703 -6479.1478 0 -6275.2642 -1148.546
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1380 19.781693 -6478.4391 0 -6274.7134 -1147.5644
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1390 19.631749 -6476.3397 0 -6274.1582 -1142.6964
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1400 19.52122 -6474.597 0 -6273.5538 -1138.0152
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1410 19.519831 -6473.9594 0 -6272.9306 -1135.757
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1420 19.608366 -6474.2536 0 -6272.3129 -1136.0044
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1430 19.764735 -6475.2699 0 -6271.7189 -1138.2092
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1440 19.912821 -6476.2029 0 -6271.1267 -1140.1679
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1450 19.914017 -6475.5988 0 -6270.5103 -1138.3642
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1460 19.791825 -6473.6938 0 -6269.8638 -1133.2803
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1470 19.71485 -6472.2559 0 -6269.2186 -1129.0501
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1480 19.737525 -6471.8431 0 -6268.5722 -1127.3023
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1490 19.766337 -6471.5377 0 -6267.9701 -1126.1915
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1500 19.769771 -6470.9634 0 -6267.3604 -1124.9011
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1510 19.827923 -6470.9004 0 -6266.6985 -1124.9375
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1520 19.944718 -6471.4424 0 -6266.0377 -1126.1203
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1530 19.9742 -6471.1365 0 -6265.4282 -1125.0473
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1540 19.88673 -6469.6287 0 -6264.8212 -1121.0283
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1550 19.818644 -6468.3235 0 -6264.2173 -1117.3798
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1560 19.839381 -6467.8963 0 -6263.5765 -1115.935
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1570 19.921511 -6468.0984 0 -6262.9328 -1116.1692
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1580 20.015923 -6468.446 0 -6262.3081 -1116.9031
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1590 20.110515 -6468.7879 0 -6261.6758 -1117.853
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1600 20.26513 -6469.7327 0 -6261.0282 -1120.2654
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1610 20.380624 -6470.3079 0 -6260.414 -1121.7493
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1620 20.322395 -6469.1068 0 -6259.8125 -1119.0113
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1630 20.232984 -6467.5432 0 -6259.1698 -1115.1571
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1640 20.313939 -6467.7383 0 -6258.5312 -1115.2856
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1650 20.576213 -6469.832 0 -6257.9238 -1120.091
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1660 20.794296 -6471.5193 0 -6257.3651 -1124.1841
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1670 20.736338 -6470.3907 0 -6256.8334 -1121.5386
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1680 20.445272 -6466.831 0 -6256.2713 -1112.723
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1690 20.227033 -6463.9877 0 -6255.6755 -1105.0192
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1700 20.275182 -6463.8992 0 -6255.0912 -1103.5914
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1710 20.451708 -6465.0914 0 -6254.4654 -1105.883
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1720 20.569465 -6465.7061 0 -6253.8674 -1107.7788
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1730 20.641974 -6465.8186 0 -6253.2331 -1108.9648
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1740 20.728488 -6466.0998 0 -6252.6233 -1110.0083
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1750 20.722544 -6465.3696 0 -6251.9543 -1107.8705
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1760 20.539022 -6462.7819 0 -6251.2567 -1100.7949
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1770 20.356891 -6460.1749 0 -6250.5254 -1093.4779
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1780 20.41155 -6460.0578 0 -6249.8454 -1092.0587
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1790 20.661559 -6461.9563 0 -6249.1692 -1096.0603
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1800 20.953129 -6464.3151 0 -6248.5251 -1101.9398
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1810 21.252707 -6466.7876 0 -6247.9124 -1108.1719
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1820 21.413681 -6467.8865 0 -6247.3535 -1110.7459
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1830 21.265903 -6465.8131 0 -6246.802 -1105.4522
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1840 20.905165 -6461.4754 0 -6246.1794 -1094.6237
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1850 20.605211 -6457.6976 0 -6245.4908 -1085.1974
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1860 20.578162 -6456.6368 0 -6244.7085 -1082.4858
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1870 20.792745 -6458.0298 0 -6243.8916 -1085.8902
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1880 21.104069 -6460.5316 0 -6243.1871 -1091.8832
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1890 21.350048 -6462.4172 0 -6242.5394 -1096.2778
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1900 21.425156 -6462.6267 0 -6241.9754 -1096.4844
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1910 21.349628 -6461.3047 0 -6241.4313 -1092.9302
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1920 21.185352 -6459.1025 0 -6240.921 -1087.3234
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1930 21.036227 -6457.0188 0 -6240.3731 -1082.1984
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1940 21.024509 -6456.3125 0 -6239.7874 -1080.5316
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1950 21.290355 -6458.4064 0 -6239.1435 -1085.3439
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1960 21.668042 -6461.6871 0 -6238.5345 -1092.5078
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1970 21.746179 -6461.9097 0 -6237.9523 -1092.2379
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1980 21.480119 -6458.5491 0 -6237.3319 -1083.5684
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1990 21.29344 -6456.0104 0 -6236.7156 -1076.6901
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2000 21.280179 -6455.2575 0 -6236.0993 -1074.3096
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2010 21.210319 -6453.9178 0 -6235.4791 -1071.2499
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2020 21.123484 -6452.335 0 -6234.7906 -1068.0656
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2030 21.232258 -6452.7524 0 -6234.0878 -1069.4974
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2040 21.509374 -6454.8729 0 -6233.3544 -1074.7419
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2050 21.690096 -6456.0708 0 -6232.6911 -1077.5869
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2060 21.647304 -6455.0043 0 -6232.0652 -1074.9952
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2070 21.596094 -6453.8873 0 -6231.4756 -1072.0493
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2080 21.722831 -6454.6389 0 -6230.922 -1073.3389
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2090 21.936667 -6456.3188 0 -6230.3997 -1076.674
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2100 21.943904 -6455.8636 0 -6229.87 -1075.077
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2110 21.710769 -6452.8948 0 -6229.3021 -1067.7255
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2120 21.539575 -6450.4324 0 -6228.6028 -1061.7922
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2130 21.626074 -6450.5938 0 -6227.8733 -1062.4626
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2140 21.960887 -6453.3249 0 -6227.1563 -1069.536
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2150 22.311239 -6456.283 0 -6226.5062 -1077.0932
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2160 22.44313 -6457.083 0 -6225.9479 -1078.9382
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2170 22.307896 -6455.163 0 -6225.4207 -1073.5444
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2180 22.019355 -6451.6135 0 -6224.8428 -1063.9897
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2190 21.809535 -6448.8251 0 -6224.2152 -1056.4879
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2200 21.835015 -6448.4087 0 -6223.5364 -1055.2342
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2210 22.053797 -6449.968 0 -6222.8425 -1059.0024
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2220 22.21239 -6450.9638 0 -6222.2051 -1061.1552
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2230 22.136817 -6449.5172 0 -6221.5368 -1056.9984
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2240 21.956678 -6446.9553 0 -6220.8301 -1049.811
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2250 21.924024 -6445.8389 0 -6220.0499 -1046.3582
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2260 22.155942 -6447.4727 0 -6219.2954 -1050.0773
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2270 22.472489 -6450.0917 0 -6218.6544 -1056.6974
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2280 22.6257 -6451.0784 0 -6218.0632 -1059.4466
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2290 22.543301 -6449.6931 0 -6217.5264 -1055.8551
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2300 22.354115 -6447.0947 0 -6216.8764 -1048.8329
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2310 22.199985 -6444.8454 0 -6216.2144 -1042.673
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2320 22.168493 -6443.859 0 -6215.5523 -1040.26
|
|
2330 22.32733 -6444.842 0 -6214.8995 -1043.208
|
|
2340 22.619807 -6447.2499 0 -6214.2953 -1049.613
|
|
2350 22.842267 -6448.9665 0 -6213.7208 -1053.9952
|
|
2360 22.832746 -6448.2859 0 -6213.1383 -1052.3152
|
|
2370 22.676721 -6446.091 0 -6212.5503 -1046.8785
|
|
2380 22.574305 -6444.4406 0 -6211.9546 -1042.7269
|
|
2390 22.583247 -6443.8928 0 -6211.3147 -1041.3216
|
|
2400 22.653625 -6443.9554 0 -6210.6525 -1041.3608
|
|
2410 22.763975 -6444.4237 0 -6209.9843 -1042.0815
|
|
2420 22.873919 -6444.9481 0 -6209.3765 -1042.6283
|
|
2430 22.906657 -6444.7401 0 -6208.8313 -1041.4966
|
|
2440 22.910597 -6444.2499 0 -6208.3006 -1039.911
|
|
2450 23.026514 -6444.9006 0 -6207.7574 -1040.9751
|
|
2460 23.150933 -6445.6504 0 -6207.226 -1042.0836
|
|
2470 23.033522 -6443.8846 0 -6206.6693 -1037.2797
|
|
2480 22.843348 -6441.292 0 -6206.0353 -1030.4225
|
|
2490 22.912055 -6441.318 0 -6205.3537 -1029.7048
|
|
2500 23.153814 -6443.2109 0 -6204.7568 -1033.8955
|
|
2510 23.303174 -6444.2353 0 -6204.243 -1036.581
|
|
2520 23.252661 -6443.2163 0 -6203.7442 -1034.4296
|
|
2530 23.054103 -6440.6419 0 -6203.2146 -1028.2312
|
|
2540 22.849508 -6437.9283 0 -6202.6081 -1021.2719
|
|
2550 22.713113 -6435.848 0 -6201.9325 -1015.6399
|
|
2560 22.715667 -6435.1406 0 -6201.1988 -1013.3786
|
|
2570 22.864536 -6435.9458 0 -6200.4708 -1015.1617
|
|
2580 23.148087 -6438.147 0 -6199.7518 -1020.6467
|
|
2590 23.497861 -6441.0286 0 -6199.0312 -1027.5979
|
|
2600 23.698742 -6442.446 0 -6198.3798 -1030.8127
|
|
2610 23.741046 -6442.2753 0 -6197.7734 -1030.0645
|
|
2620 23.756307 -6441.8542 0 -6197.1952 -1028.6193
|
|
2630 23.699699 -6440.7077 0 -6196.6317 -1025.8387
|
|
2640 23.557681 -6438.6375 0 -6196.024 -1021.2222
|
|
2650 23.390069 -6436.2654 0 -6195.3781 -1015.7846
|
|
2660 23.268489 -6434.3282 0 -6194.693 -1011.0457
|
|
2670 23.287946 -6433.8434 0 -6194.0079 -1009.206
|
|
2680 23.401423 -6434.3656 0 -6193.3614 -1009.2945
|
|
2690 23.417149 -6433.8818 0 -6192.7156 -1007.2565
|
|
2700 23.427554 -6433.347 0 -6192.0737 -1005.45
|
|
2710 23.635932 -6434.8352 0 -6191.4159 -1008.7456
|
|
2720 24.011267 -6438.0992 0 -6190.8144 -1016.3754
|
|
2730 24.2348 -6439.8756 0 -6190.2887 -1020.448
|
|
2740 24.079415 -6437.7113 0 -6189.7247 -1015.0766
|
|
2750 23.67124 -6432.8883 0 -6189.1054 -1003.3539
|
|
2760 23.374231 -6429.181 0 -6188.4568 -994.50438
|
|
2770 23.483462 -6429.5942 0 -6187.7451 -995.81797
|
|
2780 23.872789 -6432.9576 0 -6187.0989 -1004.3102
|
|
2790 24.162496 -6435.4321 0 -6186.5898 -1010.2733
|
|
2800 24.108994 -6434.4105 0 -6186.1192 -1007.1652
|
|
2810 23.814922 -6430.8587 0 -6185.596 -997.57868
|
|
2820 23.671862 -6428.7587 0 -6184.9693 -991.49148
|
|
2830 23.905206 -6430.4412 0 -6184.2487 -994.87938
|
|
2840 24.223025 -6433.0396 0 -6183.574 -1001.3687
|
|
2850 24.367058 -6433.912 0 -6182.963 -1004.2636
|
|
2860 24.357562 -6433.2565 0 -6182.4053 -1003.0901
|
|
2870 24.267707 -6431.841 0 -6181.9152 -999.29814
|
|
2880 24.137348 -6429.9589 0 -6181.3756 -994.16839
|
|
2890 24.08892 -6428.8857 0 -6180.8012 -991.18873
|
|
2900 24.238476 -6429.857 0 -6180.2322 -993.57423
|
|
2910 24.53787 -6432.4435 0 -6179.7353 -1000.1396
|
|
2920 24.726413 -6433.9516 0 -6179.3017 -1004.2649
|
|
2930 24.66711 -6432.9171 0 -6178.878 -1002.0129
|
|
2940 24.432311 -6430.0086 0 -6178.3876 -994.88815
|
|
2950 24.206528 -6427.1162 0 -6177.8204 -987.58457
|
|
2960 24.167256 -6426.0773 0 -6177.1861 -984.55005
|
|
2970 24.30592 -6426.8569 0 -6176.5375 -985.74512
|
|
2980 24.508448 -6428.3014 0 -6175.8963 -988.47719
|
|
2990 24.718187 -6429.8708 0 -6175.3056 -991.32318
|
|
3000 24.795476 -6430.1847 0 -6174.8235 -991.35255
|
|
3010 24.685228 -6428.5796 0 -6174.3539 -987.36529
|
|
3020 24.566807 -6426.8349 0 -6173.8288 -983.12616
|
|
3030 24.513909 -6425.7504 0 -6173.2891 -980.27874
|
|
3040 24.445959 -6424.4726 0 -6172.711 -977.29872
|
|
3050 24.449748 -6423.8898 0 -6172.0892 -976.2945
|
|
3060 24.57578 -6424.5347 0 -6171.4361 -978.25206
|
|
3070 24.69548 -6425.1316 0 -6170.8002 -979.70392
|
|
3080 24.650627 -6424.0707 0 -6170.2013 -976.59917
|
|
3090 24.477193 -6421.6145 0 -6169.5313 -969.99551
|
|
3100 24.513648 -6421.3475 0 -6168.8888 -968.35
|
|
3110 24.822114 -6423.9414 0 -6168.3059 -973.79769
|
|
3120 25.101868 -6426.3265 0 -6167.8099 -979.71859
|
|
3130 25.271137 -6427.5924 0 -6167.3325 -983.47883
|
|
3140 25.404011 -6428.5298 0 -6166.9015 -985.96772
|
|
3150 25.398246 -6428.0251 0 -6166.4562 -984.50226
|
|
3160 25.129525 -6424.8007 0 -6165.9993 -976.54023
|
|
3170 24.798572 -6420.8283 0 -6165.4353 -967.17898
|
|
3180 24.863045 -6420.8634 0 -6164.8064 -966.99245
|
|
3190 25.218833 -6423.9143 0 -6164.1931 -973.56457
|
|
3200 25.33816 -6424.5975 0 -6163.6475 -974.76184
|
|
3210 25.108035 -6421.6845 0 -6163.1044 -967.82169
|
|
3220 24.899669 -6418.9472 0 -6162.5131 -961.25938
|
|
3230 24.957399 -6418.99 0 -6161.9613 -960.87287
|
|
3240 25.077387 -6419.7178 0 -6161.4533 -962.12995
|
|
3250 25.084455 -6419.2924 0 -6160.9551 -960.86499
|
|
3260 25.079993 -6418.6985 0 -6160.4073 -959.25057
|
|
3270 25.215185 -6419.4825 0 -6159.7989 -961.00614
|
|
3280 25.544514 -6422.3277 0 -6159.2524 -967.69085
|
|
3290 25.876103 -6425.2786 0 -6158.7884 -974.71707
|
|
3300 25.9043 -6425.1562 0 -6158.3756 -974.54758
|
|
3310 25.681739 -6422.4181 0 -6157.9296 -967.78818
|
|
3320 25.437365 -6419.4575 0 -6157.4857 -959.91387
|
|
3330 25.271921 -6417.21 0 -6156.9421 -953.97172
|
|
3340 25.347015 -6417.3828 0 -6156.3415 -953.99214
|
|
3350 25.588042 -6419.2939 0 -6155.7704 -958.20335
|
|
3360 25.69672 -6419.8655 0 -6155.2227 -959.64648
|
|
3370 25.721141 -6419.6143 0 -6154.72 -959.2125
|
|
3380 25.879576 -6420.7911 0 -6154.2651 -961.81369
|
|
3390 26.038224 -6421.9758 0 -6153.816 -964.44857
|
|
3400 25.950329 -6420.6165 0 -6153.3619 -961.20127
|
|
3410 25.604901 -6416.4932 0 -6152.7961 -951.49185
|
|
3420 25.278418 -6412.5172 0 -6152.1824 -941.86698
|
|
3430 25.231006 -6411.4656 0 -6151.6191 -938.81077
|
|
3440 25.407599 -6412.7629 0 -6151.0977 -941.38485
|
|
3450 25.618 -6414.3905 0 -6150.5584 -944.94008
|
|
3460 25.787475 -6415.5597 0 -6149.9822 -947.31569
|
|
3470 25.924756 -6416.41 0 -6149.4188 -949.07214
|
|
3480 26.120792 -6417.8639 0 -6148.8537 -952.68086
|
|
3490 26.219435 -6418.452 0 -6148.4259 -954.66155
|
|
3500 26.04907 -6416.2498 0 -6147.9783 -950.14053
|
|
3510 25.693781 -6412.0424 0 -6147.4299 -940.40144
|
|
3520 25.501108 -6409.4153 0 -6146.7871 -933.41168
|
|
3530 25.58851 -6409.6206 0 -6146.0923 -932.73718
|
|
3540 25.861349 -6411.7858 0 -6145.4476 -937.1341
|
|
3550 26.188925 -6414.5975 0 -6144.8856 -943.84529
|
|
3560 26.461368 -6416.9215 0 -6144.4038 -949.85421
|
|
3570 26.589909 -6417.7923 0 -6143.9509 -952.4142
|
|
3580 26.571701 -6417.1586 0 -6143.5047 -950.91786
|
|
3590 26.457553 -6415.5203 0 -6143.0419 -946.15799
|
|
3600 26.152924 -6411.8771 0 -6142.536 -936.34287
|
|
3610 25.775726 -6407.3369 0 -6141.8804 -924.82687
|
|
3620 25.669615 -6405.5446 0 -6141.181 -920.31405
|
|
3630 25.979632 -6408.0791 0 -6140.5227 -926.55443
|
|
3640 26.566078 -6413.4832 0 -6139.8872 -939.47522
|
|
3650 26.909929 -6416.5302 0 -6139.393 -946.35072
|
|
3660 26.724759 -6414.1411 0 -6138.9109 -940.38058
|
|
3670 26.421956 -6410.488 0 -6138.3762 -931.45156
|
|
3680 26.398581 -6409.6852 0 -6137.8142 -929.35818
|
|
3690 26.571093 -6410.9147 0 -6137.2671 -932.30065
|
|
3700 26.652116 -6411.194 0 -6136.7119 -933.3307
|
|
3710 26.591296 -6410.0544 0 -6136.1987 -931.01464
|
|
3720 26.536195 -6408.9585 0 -6135.6702 -928.38906
|
|
3730 26.508798 -6408.1755 0 -6135.1694 -925.86117
|
|
3740 26.462861 -6407.1721 0 -6134.639 -922.36984
|
|
3750 26.397047 -6405.9529 0 -6134.0977 -918.40406
|
|
3760 26.441038 -6405.7917 0 -6133.4834 -917.5207
|
|
3770 26.745497 -6408.2489 0 -6132.805 -923.15559
|
|
3780 27.041387 -6410.638 0 -6132.1469 -928.93182
|
|
3790 27.003103 -6409.6198 0 -6131.523 -927.08557
|
|
3800 26.811297 -6407.0724 0 -6130.9509 -921.49064
|
|
3810 26.74993 -6405.8938 0 -6130.4043 -918.72164
|
|
3820 26.795927 -6405.8497 0 -6129.8865 -918.36389
|
|
3830 26.820327 -6405.6002 0 -6129.3857 -917.30195
|
|
3840 26.781033 -6404.61 0 -6128.8002 -914.61209
|
|
3850 26.812615 -6404.3012 0 -6128.1661 -913.53658
|
|
3860 26.89712 -6404.5103 0 -6127.505 -913.76078
|
|
3870 26.922323 -6404.1069 0 -6126.842 -912.84013
|
|
3880 27.101213 -6405.3838 0 -6126.2766 -915.25469
|
|
3890 27.279626 -6406.7429 0 -6125.7983 -917.5866
|
|
3900 27.221817 -6405.6018 0 -6125.2525 -914.50773
|
|
3910 27.107351 -6403.8119 0 -6124.6414 -910.05769
|
|
3920 27.116841 -6403.2638 0 -6123.9956 -908.36736
|
|
3930 27.081747 -6402.2285 0 -6123.3218 -905.83791
|
|
3940 26.935403 -6400.0723 0 -6122.6727 -901.12718
|
|
3950 26.934802 -6399.4344 0 -6122.041 -899.91808
|
|
3960 27.238985 -6401.9825 0 -6121.4564 -905.50671
|
|
3970 27.502303 -6404.1848 0 -6120.9469 -910.11508
|
|
3980 27.430392 -6402.8753 0 -6120.378 -907.1389
|
|
3990 27.280815 -6400.7088 0 -6119.7519 -902.24647
|
|
4000 27.271626 -6399.937 0 -6119.0747 -900.07961
|
|
Loop time of 96.2912 on 4 procs for 4000 steps with 3456 atoms
|
|
|
|
Pair time (%) = 36.8754 (38.2957)
|
|
Neigh time (%) = 15.6221 (16.2238)
|
|
Comm time (%) = 6.87021 (7.13482)
|
|
Outpt time (%) = 0.153298 (0.159203)
|
|
Other time (%) = 36.7702 (38.1865)
|
|
|
|
Nlocal: 864 ave 864 max 864 min
|
|
Histogram: 4 0 0 0 0 0 0 0 0 0
|
|
Nghost: 6741 ave 7924 max 5558 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
Neighs: 272272 ave 288060 max 256050 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
FullNghs: 544544 ave 574446 max 513814 min
|
|
Histogram: 2 0 0 0 0 0 0 0 0 2
|
|
|
|
Total # of neighbors = 2178178
|
|
Ave neighs/atom = 630.26
|
|
Neighbor list builds = 400
|
|
Dangerous builds = 0
|