16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-47.2473600848791 stress="0.0002071916371906065 8.867974393711257e-05 0.00011666047432923843 8.867974393711257e-05 0.0001541485207172158 -5.114082611348453e-05 0.00011666047432923843 -5.114082611348453e-05 0.00015430539131183334" free_energy=-47.2473600848791 pbc="F F F" Ni 20.85540510 21.11115480 21.11044915 1.18408463 0.88412620 0.97110250 Ni 22.70960170 22.31143450 22.33833517 -1.11189157 2.76157552 1.29569723 Ni 23.64028300 20.89839703 21.13492844 0.90327987 -1.44482392 -0.86698783 Ni 25.27812781 22.36005705 22.32834452 -1.32972793 0.34610533 0.54542809 Ni 20.87679405 23.95894820 21.20259391 1.21875454 -0.66618807 0.77690026 Ni 22.56504129 25.20865944 22.36550211 -3.68116768 2.40241937 3.11489228 Ni 23.78802619 24.22277084 21.18584377 3.45203848 -3.22135155 -2.06703700 Ni 25.68362810 25.69581920 22.64685009 -1.31219082 -1.00919530 0.44231572 Ni 21.26959405 21.17626233 23.69543178 0.68203623 0.49482574 0.15822249 Ni 22.52664478 22.41193524 25.65300231 0.44809434 0.34370576 -1.69873708 Ni 24.03848316 20.95774659 23.91852158 -0.82925176 1.21491902 -0.36116299 Ni 25.45789336 22.38825682 25.27041603 -1.22049679 0.65940400 -0.86559202 Ni 21.19178619 24.17895518 24.29140871 0.82787560 -0.70454495 -0.44216555 Ni 22.61455359 25.53253581 25.64904689 0.58921733 -0.46332361 -0.20323165 Ni 23.52487772 24.10609294 24.05677904 1.30902071 -0.84779562 0.27346831 Ni 25.30598025 25.32157598 25.51361598 -1.12967519 -0.74985792 -1.07311277