32 Lattice="6.980497661488563 0.0 0.0 0.0 6.980497661488563 0.0 0.0 0.0 6.980497661488563" Properties=species:S:1:pos:R:3:forces:R:3 energy=-76.10060403099085 stress="-0.007890866078815907 -0.0017259126886322975 -0.0023987447068243065 -0.0017259126886322975 -0.008598379300656293 0.0009846104293027777 -0.0023987447068243065 0.0009846104293027777 -0.010612912849300035" free_energy=-76.10060403099085 pbc="F F F" Cu 0.00622094 0.03057977 0.02368285 0.08217488 0.07381242 0.11336212 Cu 1.72058737 1.72744153 0.01196618 0.41932600 0.16347687 -0.83927803 Ni 1.77092954 0.02443593 1.74605474 -0.29629065 -0.69221822 0.07327030 Ni 0.00419963 1.79050476 1.73485999 -0.45570048 -0.20683799 0.48359604 Cu 3.50086918 0.02847740 0.00486686 -0.19276168 -0.16349166 -0.19268003 Ni 5.24812573 1.73611384 0.02316732 -0.16917814 0.47349145 0.12437527 Ni 5.25949660 0.04843509 1.75174871 0.04225202 -0.13856229 0.00563058 Cu 3.47693392 1.72084604 1.76374404 0.15752234 0.57779074 -0.29706619 Cu 0.03054374 3.45656904 0.01592829 -0.29467262 0.17068005 -0.53871413 Ni 1.78386854 5.23588248 0.02196388 0.03062817 -0.20932699 0.13145359 Ni 1.72234162 3.49447483 1.76478506 0.62041653 0.18305248 0.03206403 Ni 0.01627911 5.20877628 1.76194121 0.18959752 0.09036095 0.05406017 Ni 3.48110318 3.48054276 0.01356964 -0.10582225 -0.22253313 -0.35300905 Ni 5.20834967 5.23211426 0.00947363 -0.31139724 -0.28868486 0.12310254 Cu 5.26695073 3.51613918 1.74599080 0.53204149 -0.35568990 0.09445031 Cu 3.49521207 5.24821899 1.74023239 0.04667682 0.70874656 0.17437564 Cu 0.01952158 0.02291295 3.48832359 -0.26067956 -0.21041331 -0.25570860 Cu 1.71360583 1.73704161 3.46763684 0.41195540 0.17947210 0.47106795 Ni 1.71833491 0.01549317 5.25516695 0.71215318 0.18098493 -0.14094648 Cu 0.01520545 1.73783371 5.21160255 -0.19218595 0.38692479 0.14103692 Cu 3.49406286 0.03036814 3.45617667 -0.13004414 -0.85290803 0.48307511 Cu 5.20369344 1.71752881 3.46587313 0.90393902 0.41232539 0.25819303 Cu 5.23007505 0.02168620 5.26450449 -0.27606397 0.19752307 -0.37219141 Ni 3.50544096 1.76472518 5.25928218 -0.67215534 0.04416484 0.12996838 Cu 0.01005481 3.49897190 3.50834144 -0.88504230 -0.13692923 0.08217454 Ni 1.74645069 5.26539658 3.45581192 0.21280555 0.28419659 0.16264466 Cu 1.72082234 3.51682354 5.21794089 0.19846813 -0.35556006 0.67086850 Ni 0.00437718 5.23733164 5.25189178 0.38019736 -0.17534438 -0.43863298 Ni 3.52326620 3.48902733 3.50096287 -0.69964997 0.07906071 -0.09391075 Ni 5.20579670 5.21600007 3.50573955 -0.09554978 0.12763821 -0.18091692 Cu 5.21511659 3.50652434 5.23976157 0.42368842 -0.34698436 0.26387528 Ni 3.47504508 5.22988559 5.24826054 -0.32664875 0.02178228 -0.36959037