256 Lattice="13.970175933837893 0.0 0.0 0.0 13.970175933837893 0.0 0.0 0.0 13.970175933837893" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1008.1289465517739 stress="-0.007074424474600443 0.0003901084024352195 -9.586767008139269e-05 0.0003901084024352195 -0.007363560003357715 -0.0003919641473830368 -9.586767008139269e-05 -0.0003919641473830368 -0.007216083596185668" free_energy=-1008.1289465517739 pbc="F F F" Ni 0.00844657 0.00131463 0.00146545 0.52568348 0.56197991 0.51106061 Ni 1.76595986 1.72351702 0.01439597 -0.29569170 0.31794151 -0.43771727 Ni 1.74727109 0.00551488 1.71736357 -0.10701637 -0.42916411 0.36296522 Ni 0.02841180 1.73091724 1.76133379 -0.40929978 -0.07123854 -0.37418245 Ni 3.46439185 0.01745862 0.03073322 0.29053933 -0.01326652 -0.06123317 Ni 5.27131251 1.72911624 0.02152867 -0.28582356 0.19364548 -0.38304692 Ni 5.22212787 0.01427647 1.75154629 -0.01868887 -0.36470934 -0.07332162 Ni 3.48696291 1.76093287 1.72764592 -0.18138815 -0.13015969 0.16388357 Ni 6.97333112 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0.01856515 0.02179740 3.51992064 0.07569519 -0.11783254 -0.21230359 Ni 1.72513711 1.72485309 3.49799768 0.67857663 0.19191207 -0.15965332 Ni 1.76065783 0.03315044 5.24950147 -0.11412405 -0.44061261 -0.10045413 Ni 0.01279335 1.74113486 5.20885874 -0.33910162 0.27738206 0.43843263 Ni 3.50037803 0.00817560 3.50481108 -0.16767173 -0.20041214 -0.16846688 Ni 5.20463700 1.77743438 3.45906640 0.20790832 -0.24920843 0.48569420 Ni 5.21548596 0.02077176 5.25575889 0.16450512 -0.37660716 -0.16666843 Ni 3.50953496 1.74136530 5.26759200 -0.30019035 0.51170050 -0.46563681 Ni 6.95949186 0.03219291 3.46112554 0.08794060 -0.34204360 0.30867591 Ni 8.70716303 1.76379974 3.51138753 0.03493950 -0.07065616 -0.37676322 Ni 8.74345065 0.02561974 5.23986988 -0.43812280 -0.34131861 0.18736281 Ni 6.94216506 1.71808445 5.27297157 0.31423163 0.21080085 -0.36083692 Ni 10.44660512 0.02747252 3.51564520 0.37429094 -0.31843763 -0.28340452 Ni 12.24777029 1.75541732 3.45842608 0.18637499 -0.29410724 0.41005567 Ni 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3.46771956 12.21555486 -0.17020534 0.19087394 0.32104214 Ni 7.03397635 5.22404848 12.24679259 -0.38022753 -0.03513363 0.18836883 Ni 10.45061118 3.46290905 10.44361086 0.18922416 0.40960019 0.40362969 Ni 12.20746250 5.24874663 10.48011292 0.20470115 -0.08452611 0.01552311 Ni 12.22195962 3.51891373 12.20408854 -0.37073174 -0.15023903 -0.23101049 Ni 10.45295102 5.22122612 12.21861149 0.10929090 0.07318605 0.16383986 Ni 0.02174940 6.95805270 10.44277490 -0.40307086 0.26393699 0.48467323 Ni 1.78043849 8.76409270 10.46196682 -0.31248143 -0.51733393 0.53665100 Ni 1.74850174 6.95345005 12.22454586 -0.04693583 0.20750083 0.19775436 Ni 0.01274907 8.70730139 12.22842129 0.43425124 0.11511300 -0.50561491 Ni 3.48059994 6.95909587 10.50907292 0.24191235 0.24625568 -0.15952689 Ni 5.27141116 8.76451072 10.49303517 -0.37189612 -0.39845395 -0.28573122 Ni 5.21972318 6.97949727 12.24606475 0.24874068 -0.13587690 0.16857036 Ni 3.51187318 8.70647882 12.24554111 -0.22322803 0.22322971 0.07376220 Ni 6.97096865 6.98977856 10.50501896 0.13920428 0.12591038 -0.29533636 Ni 8.76057466 8.70861842 10.45267080 -0.35509587 0.24085840 0.22036563 Ni 8.71506303 6.98257560 12.23077864 0.15093405 -0.03140811 0.27499234 Ni 7.01158246 8.73165000 12.23435200 -0.04986855 0.09180554 0.13471941 Ni 10.46054301 6.97642187 10.49844938 0.09715348 -0.03839218 -0.49910329 Ni 12.23234029 8.75818873 10.51235909 0.19123667 -0.22852375 -0.33334947 Ni 12.22149925 6.98329432 12.18004284 -0.09114700 -0.11491838 0.03766317 Ni 10.48354302 8.68733893 12.21099736 -0.18838955 0.40895544 0.42428295 Ni 0.00045059 10.51793795 10.49028314 -0.12403395 -0.22985176 0.16202211 Ni 1.74348322 12.23445590 10.48656014 -0.04245173 0.28371042 0.15841187 Ni 1.77517241 10.49042559 12.24825192 -0.23143790 -0.16413041 0.11520798 Ni 0.02453111 12.18939959 12.24584118 0.49457348 -0.40531420 -0.44145989 Ni 3.45863369 10.48730386 10.46185475 0.65762962 -0.15013237 0.37092064 Ni 5.18915004 12.24086989 10.45228632 0.24359710 0.15551881 0.40351080 Ni 5.25141443 10.44845507 12.20351342 -0.11037460 0.50220324 0.28216381 Ni 3.48526556 12.22883950 12.23499414 0.09637128 -0.29683785 -0.28684603 Ni 6.97529574 10.50322276 10.44468786 0.12422975 -0.21042981 0.50743130 Ni 8.70989301 12.21644303 10.48545411 0.31629263 0.42400543 -0.11347542 Ni 8.71163697 10.50465841 12.21343106 0.25457278 -0.23486273 0.19500992 Ni 6.99495115 12.23719994 12.20015767 -0.30991005 -0.23499299 -0.22767915 Ni 10.46840210 10.47364586 10.48461506 0.11316423 0.24845061 -0.02629296 Ni 12.22592659 12.19865390 10.48567115 -0.38125701 -0.37708708 -0.09462610 Ni 12.21190375 10.44878236 12.24284176 -0.37401010 0.18167589 -0.28011923 Ni 10.50597013 12.24023293 12.20433720 -0.12086669 -0.41683053 -0.32016427