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Copy pathNiT300S0.96.G1.out
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NiT300S0.96.G1.out
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LAMMPS (31 Aug 2018)
Lattice spacing in x,y,z = 3.551 3.551 3.551
Created orthogonal box = (-35.51 -35.51 -35.51) to (35.51 35.51 35.51)
1 by 1 by 1 MPI processor grid
Changing box ...
orthogonal box = (-34.0896 -35.51 -35.51) to (34.0896 35.51 35.51)
Scanning dump file ...
Reading snapshot from dump file ...
orthogonal box = (-34.0896 -35.51 -35.51) to (34.0896 35.51 35.51)
0 atoms before read
32100 atoms in snapshot
0 atoms purged
0 atoms replaced
0 atoms trimmed
32100 atoms added
32100 atoms after read
Changing box ...
orthogonal box = (-35.51 -35.51 -35.51) to (35.51 35.51 35.51)
dynamic group SIAs defined
System init for write_restart ...
Neighbor list info ...
update every 1 steps, delay 5 steps, check yes
max neighbors/atom: 100000, page size: 100000000
master list distance cutoff = 7.18
ghost atom cutoff = 7.18
binsize = 3.59, bins = 20 20 20
2 neighbor lists, perpetual/occasional/extra = 1 1 0
(1) pair eam/alloy, perpetual
attributes: half, newton on
pair build: half/bin/atomonly/newton
stencil: half/bin/3d/newton
bin: standard
(2) compute cluster/atom, occasional
attributes: full, newton on
pair build: full/bin/atomonly
stencil: full/bin/3d
bin: standard
Setting up Verlet run ...
Unit style : metal
Current step : 0
Time step : 0.002
Per MPI rank memory allocation (min/avg/max) = 796.1 | 796.1 | 796.1 Mbytes
Step Time Temp Press Pxx Pyy Pzz Pxy Pxz Pyz v_numSIAs c_msd[1] c_msd[2] c_msd[3] c_msd[4] TotEng PotEng Volume Lx
0 0 300 5115.0348 -294.24649 7980.3097 7659.0412 -770.57613 -1951.0115 925.53479 11309 0 0 0 0 -140351.48 -141596.22 358213.55 71.02
100 0.2 269.07911 8791.8323 7478.9125 9577.8298 9318.7546 -680.37842 -1682.3336 541.13286 11355 0.0070845061 0.0066039493 0.006651194 0.020339649 -140346.72 -141463.16 358213.55 71.02
200 0.4 270.33971 8909.8099 8173.1612 9364.1203 9192.1481 -493.23944 -1831.9249 394.33791 11257 0.0082050144 0.0075705235 0.0077104461 0.023485984 -140337.9 -141459.57 358213.55 71.02
300 0.6 270.22136 9123.6691 8130.4475 9629.9156 9610.6442 -984.19644 -1458.8918 -210.01377 11300 0.008158316 0.0079813181 0.0077614647 0.023901099 -140329.89 -141451.07 358213.55 71.02
400 0.8 272.67982 9235.5912 8753.106 9516.4387 9437.2288 -711.91635 -1462.5776 -328.34401 11294 0.008490945 0.0080930721 0.0078223396 0.024406357 -140320.22 -141451.6 358213.55 71.02
500 1 273.552 9414.0549 8942.136 9798.8306 9501.1982 -1057.3627 -1469.9285 -97.482256 11289 0.0089964281 0.0082196395 0.0080668064 0.025282874 -140309.56 -141444.56 358213.55 71.02
600 1.2 275.07099 9577.2942 9070.5057 10082.972 9578.4053 -1080.0275 -1584.7201 -234.05708 11336 0.0094498155 0.0079774265 0.0085117091 0.025938951 -140298.56 -141439.86 358213.55 71.02
700 1.4 276.80056 9738.191 9247.1108 10060.758 9906.7037 -723.0181 -1587.2667 -540.85077 11316 0.0095034598 0.0081106901 0.0092019073 0.026816057 -140287.23 -141435.71 358213.55 71.02
800 1.6 277.08661 9984.8381 9475.964 10583.685 9894.865 -661.26313 -1468.6754 -426.15333 11222 0.0095895621 0.0080863489 0.0094330576 0.027108969 -140275.69 -141425.35 358213.55 71.02
900 1.8 279.15322 10046.772 9549.8272 10499.056 10091.433 -781.53684 -1286.2344 -594.38257 11097 0.0098887146 0.0082036983 0.0095360526 0.027628466 -140264.04 -141422.28 358213.55 71.02
1000 2 281.97269 10152.652 9801.9491 10544.988 10111.019 -784.29949 -1311.911 -921.38059 11116 0.010318992 0.0082474997 0.010096602 0.028663094 -140252.39 -141422.33 358213.55 71.02
1100 2.2 283.01768 10289.305 9499.0246 11066.659 10302.231 -366.72685 -1423.3546 -656.73916 11216 0.010425469 0.0084758444 0.01017694 0.029078254 -140240.76 -141415.03 358213.55 71.02
1200 2.4 284.52397 10531.669 10166.871 10919.153 10508.983 -726.81055 -1514.6544 -810.2722 11231 0.010288813 0.0086586593 0.010002864 0.028950336 -140229.18 -141409.71 358213.55 71.02
1300 2.6 286.05646 10708.658 10271.064 11086.751 10768.16 -630.69579 -1187.4402 -936.91798 11264 0.0098208452 0.008712808 0.0092781575 0.027811811 -140217.73 -141404.62 358213.55 71.02
1400 2.8 286.75055 10960.861 10442.032 11257.547 11183.005 -753.65372 -1371.756 -536.58512 11373 0.0094714748 0.0082161752 0.0089009122 0.026588562 -140206.49 -141396.25 358213.55 71.02