256 Lattice="10.25839706614333 0.0 0.0 0.0 10.25839706614333 0.0 0.0 0.0 10.25839706614333" Properties=species:S:1:pos:R:3:forces:R:3 energy=-15133.099133486003 stress="-3.979917640395406 -0.01303482573306298 0.027413065546952112 -0.01303482573306298 -4.139454677524358 -0.06953912808326639 0.027413065546952112 -0.06953912808326639 -4.001559627312578" free_energy=-15133.099133486003 pbc="F F F" Ni 0.01646811 0.04637846 0.02699076 21.15641726 26.77221805 23.75663131 Ni 1.29882995 1.29278138 0.02261949 104.16616600 97.05424877 -99.53849787 Ni 1.27761680 0.01551905 1.26343514 88.09691443 -98.28509454 91.67263218 Ni 0.01511503 1.28382508 1.29510804 -101.89196254 84.93858277 95.61891193 Ni 2.59410902 0.00476072 0.02005368 13.96697491 -30.98651408 -32.07024184 Ni 3.87875685 1.25805180 0.01470609 7.97029130 140.71084647 -78.58864688 Ni 3.87349100 0.00323207 1.29381680 -13.56331823 -77.90816350 108.97134027 Ni 2.56325638 1.28207067 1.27148816 3.54848101 79.40467751 114.76097064 Ni 5.12926843 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6.43353941 1.28525567 -46.50960882 -5.82232966 103.63870088 Ni 2.55212344 5.14736276 0.01122756 24.92006488 -10.29048237 -107.69199422 Ni 3.82137747 6.40444071 0.01638783 32.36608784 -13.32526531 -101.02240884 Ni 3.85207164 5.13623269 1.27788320 -62.01718435 -23.88960912 -13.61388588 Ni 2.56128130 6.42044895 1.27533731 -46.59116497 46.17228492 133.61536663 Ni 5.13190621 5.12604427 0.02467294 -24.86954505 -4.32369753 -136.74561185 Ni 6.44168478 6.39743448 0.02100440 -33.40785024 16.81950104 -39.84835858 Ni 6.44891027 5.12341323 1.30327051 -100.71434064 50.86921965 -57.67691939 Ni 5.12981515 6.40535764 1.25931175 12.31348093 103.48885829 165.65332579 Ni 7.69279071 5.14314015 0.00967403 -107.83870892 -35.14556856 -68.96439682 Ni 8.99491772 6.44007902 0.01972922 20.62560234 -16.72189064 -22.73499109 Ni 8.97834128 5.09609078 1.25889805 51.89291708 0.52881654 122.48750625 Ni 7.66950617 6.40984763 1.27427707 -53.00117313 19.20256177 143.97266095 Ni 0.01766159 7.68831789 0.01531515 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8.96931572 7.68510316 1.29264426 78.40322501 -84.16897324 87.85213922 Ni 7.70398098 8.98711601 1.28704079 -83.78160371 95.14786032 89.43749039 Ni 0.01766953 0.02496689 2.59121489 -41.04099845 -37.16932038 16.52955403 Ni 1.25730248 1.27687578 2.57747327 125.59705040 106.17765226 -53.21962639 Ni 1.25690655 0.02297742 3.82323950 131.08546139 -76.84681727 32.83930328 Ni 0.02056700 1.29893661 3.83044206 -73.97076765 115.78126585 35.81006977 Ni 2.57330241 0.00386989 2.57153796 -27.82468901 -54.76538694 -16.56017862 Ni 3.83217785 1.26127864 2.53351286 84.55605155 123.55177608 59.63534523 Ni 3.85211063 0.00575824 3.82851962 2.38303457 -151.61729436 55.33220370 Ni 2.55991337 1.31290270 3.86512997 -34.63852799 -104.77107348 -110.44117636 Ni 5.12210682 0.01812321 2.60433428 -15.20682778 -104.69503504 -39.98110211 Ni 6.39837184 1.31681893 2.57289016 152.26878292 -31.83984952 -84.56599652 Ni 6.44977441 0.01169968 3.82542515 -22.85340183 -108.57239107 36.29263286 Ni 5.14295949 1.28285635 3.85756351 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