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=-46.10066643748526 stress="0.00019651348949056372 8.129356892603193e-05 5.871929855441012e-05 8.129356892603193e-05 0.00014368973526433955 -3.755858283126125e-05 5.871929855441012e-05 -3.755858283126125e-05 0.00014294726944383596" free_energy=-46.10066643748526 pbc="F F F" Ni 20.85540510 21.11115480 21.11044915 1.08153233 0.72709047 0.88858892 Ni 22.70960170 22.31143450 22.33833517 -0.88702422 2.22736153 0.92374182 Ni 23.64028300 20.83509776 21.11608958 0.47991606 -1.00706646 -0.28579647 Ni 25.27812781 22.51878885 22.32834452 -1.28603405 0.28713952 0.73115019 Ni 20.87679405 23.95894820 21.20259391 0.95897829 -0.97906168 0.67279473 Ni 22.56504129 25.20865944 22.36550211 -4.13779639 3.30887527 2.25374032 Ni 23.78802619 24.22277084 21.18584377 3.17200747 -2.73207364 -2.27445467 Ni 25.68362810 25.69581920 22.64685009 -1.25813762 -1.21122247 0.54086121 Ni 21.26959405 21.17626233 23.91732405 0.89504642 0.80042703 -0.35660977 Ni 22.70996341 22.49207130 25.65300231 0.50985528 0.46691300 -1.41604132 Ni 24.03848316 20.95774659 23.91852158 -0.84336571 0.65449760 -0.50303594 Ni 25.45789336 22.38825682 25.27041603 -1.08922968 0.94803091 -0.76582095 Ni 21.19178619 24.17895518 24.29140871 1.09730850 -0.93735836 -0.86330742 Ni 22.61455359 25.53253581 25.58650132 1.00012956 -0.76390557 -0.28238363 Ni 23.78091226 24.10609294 23.74450855 1.21307366 -1.03992732 1.90221742 Ni 25.30598025 25.32157598 25.51361598 -0.90625991 -0.74971982 -1.16564443