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=3903.3583745006495 stress="-15053.739660105028 -1841.2873731238637 1291.640352840591 -1841.2873731238637 -19788.273829323727 -5293.170298519461 1291.640352840591 -5293.170298519461 -23027.475979447772" pbc="F F F" Ni -0.11269978 0.39932208 -0.08952847 -259.30313621 54.49117572 -254.21855269 Ni 1.90929010 1.63631866 -0.07711261 -532.00382565 -317.40836655 -1011.05374057 Ni 1.23500927 0.06961503 1.14290686 -181.11382938 -113.64537702 624.34318186 Ni -0.12499669 1.49118409 1.83060792 -82.17533880 -928.09485396 -2404.67973296 Ni 2.61005243 -0.04990148 0.00128751 602.00411704 -511.43145500 -415.56744068 Ni 4.53218138 1.50236894 0.08706113 112.01727013 -264.59066104 -515.26501061 Ni 4.35694883 0.15287344 1.57833639 48.50016596 -1168.76920307 -919.83797290 Ni 2.99647420 1.43436061 1.34372832 52.63378817 10.54028452 492.62589106 Ni 0.29594072 3.07062481 0.08968360 -687.49894500 80.01945937 -640.18381476 Ni 1.66141158 4.70086755 -0.01362835 -472.10085797 723.86794917 -184.11702991 Ni 1.56217792 2.79097507 1.24832671 -3403.86520287 -1421.98248812 4532.52114722 Ni -0.19631949 4.44732315 1.54320463 -289.31791475 66.98821899 -190.77794209 Ni 2.62547490 3.26893267 0.27198675 3121.90852851 -891.43251950 -5767.95002063 Ni 4.52451950 4.39223811 -0.16648457 92.81220339 20.45016531 -101.91755910 Ni 4.50994318 2.75438624 1.39913753 156.82261807 372.55449143 318.05238509 Ni 3.19319194 4.29095214 1.31486266 1230.53606547 2468.16457991 2555.61719176 Ni 0.00253894 0.36731096 3.12916642 -1342.30503390 -2940.90762901 -1731.22629593 Ni 1.28080506 1.44220135 3.26379143 1335.56261741 449.67260252 -2269.56111019 Ni 1.45053452 0.06950742 4.24129657 122.78883321 -1306.88607467 1420.50436696 Ni -0.00140575 1.23181240 4.48704539 -737.49599952 1399.28054919 2672.27626317 Ni 2.73467991 0.10663095 3.03140253 431.59557308 -330.82676761 -725.94707203 Ni 4.56805594 1.26531213 2.82623859 409.41914741 939.72442621 769.11852755 Ni 4.54685982 -0.01734507 4.33046696 549.38304468 -696.11457326 126.72788636 Ni 3.38242511 1.29022949 4.30486098 -529.05895563 706.13240075 556.30423154 Ni -0.21166496 2.64865005 2.96454175 -308.46084295 1778.13548804 1510.58787649 Ni 1.19704783 4.38241217 2.76447812 276.95329571 12.19851165 171.64225063 Ni 1.44921299 2.67883372 4.31980631 258.34978299 1525.96138546 1419.22809689 Ni 0.23138113 4.25821148 4.64908811 -80.26212875 75.21460672 57.32039881 Ni 2.99585898 2.73164538 3.05994833 27.93924381 171.48379870 -169.00929640 Ni 4.51076756 4.43583264 2.99992189 19.71871567 347.10564652 -429.22877285 Ni 4.56536078 3.37258764 4.44754104 42.84863569 -334.30874283 468.58382402 Ni 2.64963997 4.62906192 4.32164347 13.16836498 24.41297147 35.08784489