32 Lattice="7.485981635494338 0.0 0.0 0.0 7.485981635494338 0.0 0.0 0.0 7.485981635494338" Properties=species:S:1:pos:R:3:forces:R:3 energy=-153.13533880797016 stress="-0.015851897247295212 -0.00040666445278193927 -0.0032978672357583155 -0.00040666445278193927 -0.01526579432139801 0.0033996536865262598 -0.0032978672357583155 0.0033996536865262598 -0.0034787264635427785" free_energy=-153.13533880797016 pbc="F F F" Ni 0.02117332 0.00948766 0.03048804 0.41910102 0.45830395 0.52681751 Nb 1.91291501 1.85157213 0.02214341 0.01246535 -1.68481200 -2.25801292 Ni 1.83273116 0.02731937 1.89251955 0.26348408 -0.25221258 -0.24889200 Nb 0.03656992 1.83409206 1.86512407 -1.54365922 -0.37667262 1.00979762 Ni 3.72758160 0.04816370 0.03651550 0.10569690 -0.09676835 0.48623267 Nb 5.62668214 1.85035308 0.03049060 0.66694117 -0.27801244 -0.28263259 Ni 5.62343732 0.03124178 1.86037506 -0.35306988 0.21048161 0.14236353 Nb 3.76152922 1.85333451 1.87921060 0.46087434 -0.06477569 1.89061568 Nb 0.00757341 3.71280531 0.03002088 -1.65630256 0.35315323 -1.14596710 Nb 1.81403035 5.58579126 0.00659246 -0.09956816 1.53112394 -1.06253280 Nb 1.86153513 3.73542389 1.87350421 -0.44190753 0.78468224 3.43509176 Ni 0.01806315 5.63477805 1.87394427 0.36467784 -0.45700804 0.49565340 Nb 3.76649623 3.73903761 0.02564846 1.11436073 0.72009180 -2.26798123 Ni 5.62951026 5.61767236 0.01858280 -0.49135634 -0.61986027 0.65664512 Ni 5.62050485 3.74732723 1.83559782 -0.06895993 0.03762200 0.60475627 Nb 3.74642025 5.58215782 1.88939100 0.49846251 1.13162401 0.87014908 Nb 0.03623868 0.01959201 3.75020360 -0.37576794 -1.12185649 -0.85634251 Ni 1.84283561 1.85141472 3.73386257 0.19575130 0.46837678 -0.02890765 Nb 1.83508332 0.03223999 5.62758587 0.39827038 -1.15025539 1.12560776 Nb 0.03455449 1.89771286 5.60214278 -1.12253800 0.94435520 0.22697743 Nb 3.71018909 0.01706702 3.73422715 0.49936489 -1.30914137 -0.67361495 Ni 5.59597416 1.85426460 3.72239466 -0.09573457 0.48780540 0.06955892 Ni 5.61660082 0.01638733 5.61045421 -0.63279417 0.55206551 -0.57293207 Nb 3.71559118 1.84721040 5.62796270 1.30278136 1.10466907 0.35382790 Ni 0.03908554 3.75906745 3.75926290 0.01563709 0.28467425 -0.24227558 Ni 1.85337531 5.60351807 3.77644802 0.11724229 -0.20535914 0.00991696 Nb 1.84559720 3.76739664 5.61553946 0.53261225 1.02823217 -0.35624557 Ni 0.03594383 5.60198235 5.59033905 0.44941274 -0.73330930 -0.59305969 Ni 3.70709983 3.72827822 3.80525428 0.69746745 0.08633513 -0.03911080 Nb 5.62487553 5.63675086 3.74345401 -0.32063679 -1.11799511 0.55085816 Ni 5.63041340 3.67671264 5.64039779 -0.97129398 0.14319299 -0.91020793 Ni 3.75335506 5.59161351 5.64784523 0.05898537 -0.85875050 -0.91615438