32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-52.94055021202526 stress="-0.15597031144072424 0.015794926613685246 -0.018248873179413528 0.015794926613685246 -0.2270194316037599 0.008789527582664922 -0.018248873179413528 0.008789527582664922 -0.23655460818863053" free_energy=-52.94055021202526 pbc="F F F" Ni 0.19883905 0.24342989 0.00047313 -12.99676431 -8.26414485 -7.20456619 Ni 1.27516603 1.20330445 0.24217457 12.39229132 11.96141369 -9.45826946 Ni 1.54270730 0.13480683 1.23324064 8.71970410 -9.57846137 11.50140286 Ni 0.12324216 1.74667518 1.61478237 -4.07669905 0.71931154 11.49309430 H 2.90836074 0.18615818 0.31609211 0.02071554 -0.45923985 -0.30041765 H 4.36360749 1.54412980 0.25526760 0.56083589 0.01966152 -0.26954899 Ni 4.54082142 0.28511378 1.28384319 -0.38337692 -2.20287509 -1.81564525 H 3.35410628 1.08611533 0.94112944 -0.45020198 0.24530946 0.44694734 Ni 0.00239915 2.81442214 0.23520322 -2.63544446 3.01448915 -9.10692629 Ni 1.89575991 4.38150597 0.06487656 -2.23545175 1.94967694 -3.50874664 H 1.81288135 3.37026681 1.10136080 -0.71246174 -0.39108790 0.62172412 Ni 0.06527675 4.20763472 1.42139044 0.69732254 3.42355767 4.24779451 H 2.51656204 3.21722432 0.15475116 1.24689897 -1.88034608 -0.27531588 H 4.05730743 4.29361986 0.01494858 -0.24343901 0.20026145 0.03647665 H 4.48972279 2.91614329 1.34312790 0.18607548 0.38357821 0.20321907 Ni 2.97114699 4.41378331 1.66465057 -0.47360625 -1.29412978 1.06301092 Ni 0.20426132 0.18292312 3.22134137 0.16695710 -2.59661156 -1.92880113 H 1.10173808 1.42465557 3.26855178 -0.15242141 -0.03396346 0.12533725 H 1.49199675 0.12722293 4.44361513 -0.12206930 0.04225074 0.26297385 Ni 0.16770859 1.33722867 4.71862919 1.03360727 2.53114881 1.51632380 H 2.62987782 0.02492238 2.84310895 0.18672645 -0.09626807 0.05583058 Ni 4.30461290 1.73666665 2.52534190 -0.02155111 3.15928921 -0.67119768 H 4.14621878 0.29352969 4.75352030 0.12438815 -0.21597741 0.20918727 Ni 3.20408111 1.51855009 4.23278464 -5.35956576 -3.94313586 0.38871582 H 0.30679471 2.88657932 3.01622938 -0.40577245 0.18208216 0.03353026 H 1.66203903 4.58989657 2.84187601 -0.06148339 0.27995786 0.02581908 H 1.61895283 2.83382758 4.72740915 -0.04657328 -0.17311920 0.34799633 H 0.02451178 4.27281330 4.07290893 0.14188541 -0.15742895 -0.21333721 H 2.94477424 2.96991781 3.26259669 0.58427622 0.06263965 -0.01742026 Ni 4.30691229 4.44765678 3.11319393 3.91122950 1.62198195 -1.46611707 Ni 4.24841186 2.99214527 4.50795817 6.20496425 -0.23312850 3.16500000 Ni 2.76680101 4.13524132 4.36471800 -5.80099604 1.72330788 0.49192570