500 Lattice="17.09357005106565 0.0 0.0 0.0 17.09357005106565 0.0 0.0 0.0 17.09357005106565" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1303.9975350485404 stress="4.718778214446613 8.907825339475846 8.66820054740786 8.907825339475846 26.62864813531137 3.03258267017239 8.66820054740786 3.03258267017239 22.78521634349615" free_energy=-1303.9975350485404 pbc="F F F" Ni 0.03721821 0.03530209 0.00951800 0.16969453 0.42416081 0.24933053 Ni 1.73425708 1.73090625 0.02466146 -0.24629845 0.07255344 -0.90467564 Ni 1.68501702 0.03004688 1.66118722 0.07306241 -1.13116163 0.34220226 Ni 0.03064228 1.74238784 1.75399175 -1.06579131 -0.10525743 -0.63039400 Ni 3.43244703 0.04702666 0.01804286 1376.37279448 -1.26703407 -1371.87104408 Ni 5.11814092 1.73944312 0.00933889 -0.06273837 -0.31796160 -0.66526501 Ni 5.14233527 0.02404210 1.71139034 437.77164519 2155.95882229 1707.60899670 Ni 3.39920328 1.66791250 1.72154842 0.22775618 0.68602739 -0.08058269 Ni 6.84869155 0.03184591 0.00733167 1541.30031314 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1.03891796 0.13208868 Ni 13.67500188 3.44655094 0.01042812 -1259.17696012 0.09818847 1250.91431039 Ni 15.38599831 5.12597336 0.01571654 -0.38343324 -350.20027363 343.44723567 Ni 15.37926822 3.43573316 1.68017153 -2504.88522094 -7626.30578851 -5277.10697068 Ni 13.68312364 5.14496494 1.67145526 -0.00716425 -0.16115801 0.59314312 Ni 0.00388139 6.86391591 0.01975018 -4978.92281584 7863.44991119 -2819.35322463 Ni 1.70272309 8.51264772 0.00644074 -622.08502342 1.44948080 -624.22250412 Ni 1.74909923 6.85738606 1.68871208 -0.53404121 -0.36931927 0.70428227 Ni 0.01236395 8.56471994 1.69663997 2169.28390080 -11.23079794 2213.59616968 Ni 3.43008936 6.84238136 0.01674782 16.51936191 2611.25530559 2619.77579268 Ni 5.13406185 8.50120144 0.00208444 -1378.57781311 16.07097170 1388.77646332 Ni 5.13378897 6.85941632 1.66730532 -5134.30649499 5205.66146474 -31.53715635 Ni 3.40252147 8.49858720 1.70188408 -1458.18257986 4.39197403 1487.58096963 Ni 6.89919917 6.85850626 0.00597745 -68.12993631 5805.53013236 5775.68435218 Ni 8.52492153 8.50740853 0.04642670 0.48701922 0.93610041 -1.37324285 Ni 8.54675662 6.83133259 1.66578844 -3951.38344003 3916.68509980 42.93953862 Ni 6.87196372 8.50313387 1.73017306 -0.40756308 0.85352554 0.44307476 Ni 10.28142840 6.82928482 0.00090714 3795.27893262 1.54078206 -3721.19474164 Ni 11.99665899 8.50159721 0.02074063 114.80332989 -0.19772749 -116.00024502 Ni 11.97997342 6.80961256 1.75705424 -0.14262059 0.49673531 -0.39763111 Ni 10.24397009 8.58033562 1.70325145 3.77717478 4621.45152851 -4603.52242462 Ni 13.66806720 6.84174073 0.02506456 4121.76811205 -4166.25541370 3.99780045 Ni 15.37905307 8.52875671 0.01971217 -8.06683066 1677.66986372 1669.31310188 Ni 15.37917289 6.84136565 1.69783173 984.28324668 957.58174500 7.77670591 Ni 13.71299480 8.56090522 1.74805120 -0.65335337 -0.08629991 -0.29121150 Ni 0.05029118 10.25670948 0.01748451 -48.65663077 -3991.77047320 4023.84593645 Ni 1.68188361 11.93231519 0.01136359 14.79594027 5585.10884603 5503.25276820 Ni 1.74003122 10.31202267 1.72466706 0.33419145 -0.99818629 0.31158069 Ni 0.01157733 11.96616828 1.69404301 -1.04872811 0.31093615 0.49159700 Ni 3.37213434 10.26775811 0.01391822 0.40707017 -4.90339766 -5.42456120 Ni 5.10324182 11.98334503 0.00761723 8.55567250 0.06407532 -9.02509155 Ni 5.11268915 10.23614582 1.70115542 3950.97336893 -3917.07114832 -40.39514163 Ni 3.46018971 11.96209402 1.72103524 -0.24976453 7.36417944 -6.57213147 Ni 6.80564540 10.22809362 0.00699017 260.99469265 -278.55792881 -3.85194796 Ni 8.56392743 12.01985807 0.03219024 -0.48708162 -0.55391696 -1.13979270 Ni 8.54332907 10.27760831 1.71565440 -3719.31629788 -7990.97369839 7693.19355190 Ni 6.85836174 11.96853044 1.70362286 2056.55535910 1670.32619051 3747.66239845 Ni 10.26497542 10.28181174 0.02088951 -8139.71368817 8147.81700563 -0.32526465 Ni 11.99676862 11.92717599 0.02447641 0.05184850 0.56948756 -1.23954568 Ni 11.93755544 10.28669306 1.70738007 20.71541163 -1704.57996220 1690.63549589 Ni 10.28526269 11.94468915 1.69226742 -5300.56105979 -5301.56872140 -27.95776024 Ni 13.68729993 10.22734316 0.03806482 0.16542914 0.13242910 -0.82390902 Ni 15.41275311 11.97884187 0.01136184 -0.25545044 -0.18970149 0.08850861 Ni 15.41081493 10.26024453 1.73255274 6.34371509 680.46709414 -669.62015451 Ni 13.64412854 11.93285772 1.71554152 0.29235850 0.29817578 0.23452341 Ni 0.03563137 13.63915842 0.04240137 -0.11844839 0.25393600 -0.25378040 Ni 1.70504154 15.40658907 0.01977564 7.10680503 -0.18113716 6.68661606 Ni 1.71216972 13.71763494 1.71595602 32.10519717 -1.02274454 31.73537017 Ni 0.02771041 15.38010055 1.68452539 -43.64192955 3675.48266694 -3687.56987493 Ni 3.41102428 13.67693326 0.04914202 -267.99496551 271.73570812 2.26481944 Ni 5.08520164 15.36168608 0.02918599 -28.00864586 -28.29610050 -0.48147272 Ni 5.13944349 13.71535041 1.69361320 1837.06101463 -1855.83570323 12.61469665 Ni 3.40073612 15.38141677 1.65807802 0.05701788 1.01309136 0.71248689 Ni 6.82327667 13.67787350 0.01087240 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