32 Lattice="8.712100563536332 0.0 0.0 0.0 8.712100563536332 0.0 0.0 0.0 8.712100563536332" Properties=species:S:1:pos:R:3:forces:R:3 energy=-164.48608873076415 stress="-0.008320160941179286 -0.0005455509829473047 -7.81805425199598e-05 -0.0005455509829473047 -0.009127935007964785 -0.00046473968267681036 -7.81805425199598e-05 -0.00046473968267681036 -0.00882807044847243" free_energy=-164.48608873076415 pbc="F F F" Zr 0.03668554 0.03114984 0.02884335 0.30221500 0.21090301 0.20541697 Zr 2.16667256 2.21958008 0.00537364 0.19287576 -0.12342348 -0.88231021 Zr 2.21899258 0.04282426 2.16779823 -0.35324180 -0.89554154 0.32001720 Zr 0.00896318 2.17092194 2.15928473 -0.86317085 -0.15266002 0.26319827 Zr 4.33010476 0.02657129 0.00287208 -0.01193902 -0.15388321 -0.21875816 Zr 6.50756452 2.17270256 0.03452844 0.19427734 0.19345352 -0.12283441 Zr 6.54889492 0.02025190 2.16174626 -0.11310112 -0.09920680 0.23519968 Zr 4.32624331 2.14372247 2.15781648 0.42780644 0.63486125 0.47030795 Zr 0.01352253 4.33233711 0.04474185 -0.24033397 0.16800913 -0.22189285 Zr 2.17205504 6.53492578 0.02039623 0.33447971 -0.18445311 0.07202969 Zr 2.14560951 4.33067041 2.18953679 0.70416527 0.43539734 -0.15749811 Zr 0.02208484 6.56122770 2.16276935 0.01911209 0.00072039 0.25822956 Zr 4.39838051 4.35047545 0.00384292 -0.35334722 0.18304287 -0.51227378 Zr 6.57298144 6.51290680 0.01805662 -0.42132402 -0.26310526 0.33495752 Zr 6.52971752 4.39520614 2.18177361 0.67758050 -0.55996776 0.26503369 Zr 4.37698734 6.49531271 2.22185599 -0.21783305 0.67826290 -0.29329080 Zr 0.01106369 0.02626864 4.37992912 0.06212145 -0.05650554 -0.30759922 Zr 2.14124813 2.21339773 4.34795197 0.42817088 -0.47280129 0.14802577 Zr 2.17449041 0.01833323 6.54897135 0.11227667 -0.12765393 -0.08243799 Zr 0.01901288 2.15215488 6.55666720 -0.13513572 0.34363705 -0.04866926 Zr 4.38031851 0.03061281 4.39379148 -0.34763588 -0.76634647 -0.21607321 Zr 6.51716955 2.12656009 4.39801452 0.66636840 0.44710076 -0.52253020 Zr 6.56823549 0.01472506 6.50532311 -0.32815926 0.21198273 -0.06549690 Zr 4.31549258 2.15024838 6.57180510 0.18320441 0.17701543 0.58705731 Zr 0.03709806 4.37358928 4.31385065 -1.07768833 -0.01609665 0.28428617 Zr 2.21371035 6.51465273 4.37492843 -0.18635539 0.69981558 -0.19830720 Zr 2.15459234 4.33390034 6.50762275 0.15138445 0.23102300 0.84732645 Zr 0.00143271 6.53089740 6.50157665 0.38336692 -0.38528281 -0.37990319 Zr 4.38338252 4.33677037 4.39423613 -0.26059957 -0.26922653 -0.37406305 Zr 6.53504826 6.52059089 4.39344510 0.17040771 0.14874714 -0.24108734 Zr 6.52843584 4.32415318 6.49096839 0.06296666 -0.10772246 0.33005274 Zr 4.36598638 6.55305977 6.50299268 -0.16291448 -0.13009526 0.22388692