256 Lattice="13.827069506249973 0.0 0.0 0.0 13.827069506249973 0.0 0.0 0.0 13.827069506249973" Properties=species:S:1:pos:R:3:forces:R:3 energy=-978.623401833513 stress="-0.009553446994499601 -0.00034413286302490434 -0.0011008940713015717 -0.00034413286302490434 -0.009867329145405501 0.0004977719399475713 -0.0011008940713015717 0.0004977719399475713 -0.009485293745298225" free_energy=-978.623401833513 pbc="F F F" Ni 0.02367568 0.02821748 0.02341858 0.44489052 0.46134528 0.51013507 Ni 1.71033762 1.71822484 0.02078771 0.35203249 0.33629175 -0.22445179 Ni 1.72942902 0.02251615 1.71699990 0.10053353 -0.13082569 0.36703715 Ni 0.03186500 1.77419277 1.69928119 -0.43200125 -0.27805330 0.33671733 Ni 3.46119107 0.02853950 0.02719122 -0.27495540 0.13592530 0.11469298 Ni 5.15507525 1.71020560 0.01286756 0.40706821 0.28340597 -0.45502785 Ni 5.17555865 0.02092644 1.69932038 0.17658177 -0.41540496 0.47839268 Ni 3.48030304 1.73316379 1.76174972 -0.51505816 0.18253032 0.02233912 Ni 6.90176658 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0.02398816 3.46582838 0.37180677 0.38208014 -0.20792992 Ni 1.73065639 1.76175441 3.46264220 -0.10665921 -0.29908701 -0.30649426 Ni 1.75061036 0.02525521 5.18438634 -0.15096170 -0.56226090 -0.12261414 Ni 0.01124617 1.72533945 5.19914596 -0.33626163 0.20756487 -0.12545517 Ni 3.46550977 0.00486491 3.47326074 -0.29385823 -0.43886509 -0.44339554 Ni 5.18164212 1.74150793 3.47873703 0.05351156 0.05964812 -0.37181317 Ni 5.15121899 0.02787086 5.15677303 0.26684714 -0.60846215 0.29915180 Ni 3.43676893 1.74057257 5.16137889 0.23980279 0.09334639 0.15639085 Ni 6.92493699 0.01866187 3.46395601 -0.24411873 -0.55259856 -0.27838525 Ni 8.62893711 1.70071723 3.42229937 0.31890359 0.55516906 0.17510170 Ni 8.66004023 0.00894942 5.17814639 0.08441153 -0.73297956 -0.12913818 Ni 6.94182793 1.70276710 5.19315170 -0.26475094 0.53335262 -0.11473673 Ni 10.37275784 0.03165428 3.44929196 0.11069622 -0.48595483 -0.15708329 Ni 12.09604245 1.75815518 3.42935834 0.30095322 -0.09145150 0.13801609 Ni 12.10812870 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12.11816999 0.23477867 -0.12289668 0.14282922 Ni 6.92529623 5.20381764 12.11005248 -0.19322282 -0.08880174 0.24763063 Ni 10.38304813 3.43184867 10.33961877 -0.19600740 0.36705860 0.04115904 Ni 12.08016466 5.21928684 10.35401688 0.34080751 -0.25311642 0.20394367 Ni 12.07713825 3.44188790 12.08171857 -0.14629339 0.01062250 -0.27422297 Ni 10.39036305 5.15215950 12.06432570 -0.11418520 0.30170217 0.28707226 Ni 0.01558467 6.90626785 10.39275203 -0.46470177 0.07495283 -0.15064627 Ni 1.70945538 8.64440873 10.33677693 0.20114391 0.17037291 0.35905434 Ni 1.72016002 6.89998997 12.09636654 0.05201663 0.26492349 0.46526127 Ni 0.02597971 8.66751366 12.06469036 0.12495898 -0.02607340 -0.14822177 Ni 3.41270735 6.89019619 10.38105166 0.35308333 0.42159779 -0.29365144 Ni 5.21255575 8.63850630 10.36620429 -0.32407631 0.26353975 -0.02479671 Ni 5.15775135 6.90753769 12.09250070 0.20156871 0.15101210 0.52048435 Ni 3.45199573 8.62343144 12.07250521 -0.15856768 0.19136996 0.45540487 Ni 6.89681699 6.93882916 10.37858898 0.25230189 -0.33821103 -0.12917114 Ni 8.66512875 8.67237200 10.37762754 -0.36849064 -0.18933656 -0.19091481 Ni 8.65771715 6.93717491 12.07213791 -0.00416539 -0.18327097 0.56581493 Ni 6.90312984 8.64923247 12.09888935 -0.06031941 0.03263627 0.47273808 Ni 10.35809528 6.94091219 10.36253198 0.03489307 -0.30771921 0.29524920 Ni 12.08505730 8.64224458 10.35112134 0.24675413 0.18227777 0.20719091 Ni 12.12173004 6.93815973 12.13164169 -0.57096483 -0.02401354 -0.54161194 Ni 10.34229111 8.64437552 12.12096668 0.37302080 0.13928505 0.20727972 Ni 0.01412812 10.40079046 10.37871197 -0.21140014 -0.19167847 -0.15861847 Ni 1.71325592 12.06522039 10.35661193 0.23628259 0.15656739 -0.01040216 Ni 1.71731255 10.34967723 12.11960361 0.12397358 0.00570590 -0.02291930 Ni 0.02037323 12.10074194 12.11595000 0.67476050 -0.65161141 -0.64933839 Ni 3.46692938 10.35204612 10.39232388 -0.26117392 0.18949444 -0.33119037 Ni 5.21218100 12.10318883 10.33761900 -0.31686088 0.21744504 0.23500990 Ni 5.15398181 10.39012416 12.10774283 0.16331400 -0.10044796 0.15284163 Ni 3.40427686 12.06602993 12.07897229 0.09067713 -0.11646045 -0.28486519 Ni 6.90888139 10.37465856 10.38582587 -0.06272857 -0.15572985 -0.27424900 Ni 8.63586644 12.09837720 10.35175858 0.18628084 0.17061971 0.17046509 Ni 8.60928615 10.35672109 12.09220431 0.18656518 0.20448567 0.43279877 Ni 6.89316831 12.09818737 12.08622024 0.08018729 -0.24580068 -0.24688862 Ni 10.35301346 10.35014987 10.38739971 0.33689526 0.38284697 -0.32474914 Ni 12.10744242 12.12729321 10.34115856 -0.69882162 -0.64322996 -0.11491768 Ni 12.09395334 10.38364344 12.07774756 -0.51339910 -0.11697453 -0.46149912 Ni 10.30311538 12.10546698 12.09084595 0.13504653 -0.48129773 -0.46733007