32 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=598064.418743906 stress="-36.10720873157013 -5.920862771499629 -3.745146373974949 -5.920862771499629 -33.62650645422691 0.8712531627970678 -3.745146373974949 0.8712531627970678 -28.150623191016358" free_energy=598064.418743906 pbc="F F F" Nd 21.16424422 21.00061970 21.22658098 -10555.08215855 -19910.07552442 -15329.13689778 Nd 22.59745756 22.53116401 20.92861479 -39969.31581043 -13716.09724491 -57920.33445321 Nd 22.76167891 21.07522589 22.71642847 -136698.57283153 -128706.00327195 -390.98527711 Nd 21.02193649 22.44621320 22.64384536 -197509.37733506 -197321.56068498 62600.20399819 Nd 23.95920232 21.27388415 20.88445080 6497.86360131 -94330.29395764 -52277.70236409 Nd 25.39377272 22.49031630 20.88300643 37628.96807103 35330.25662225 -38023.75794804 Nd 25.70798875 21.40640902 22.49280903 57749.68163386 -60298.82160019 -27371.62738394 Nd 24.00754006 22.20995547 22.50076722 86099.77915566 158911.47937741 20287.13226948 Nd 20.92080825 24.39693588 21.31359172 -163384.07749074 17056.54861037 -171912.50122675 Nd 22.53958288 25.27065173 20.73699651 -118965.58710534 162862.45110646 -61939.53954537 Nd 22.07293328 23.65467737 22.29890587 300271.45843951 144211.74370238 70213.33664555 Nd 20.96321216 25.52683728 22.70613267 -22430.61973117 137371.19050923 -10515.66682211 Nd 23.70014746 24.11667823 21.10047619 146930.25740548 -151070.42171258 9420.75162424 Nd 25.45138196 25.14681823 21.17110960 55027.06762932 46423.53801261 -86748.10875006 Nd 25.59637620 23.83977348 22.44357294 17523.03028384 -39982.89621813 52550.27909232 Nd 24.09443674 25.46513918 22.37503089 -44776.75858106 47063.09846664 58415.21836009 Nd 21.19788218 20.87149356 24.23091695 -54241.22108008 -15094.39116373 -56012.96693896 Nd 22.48653670 22.62195200 24.17186380 -20657.55662052 -125502.17353719 -112477.58563683 Nd 22.24885231 20.97883239 25.69900183 40571.16563207 -384.83594610 70750.16902105 Nd 20.87675536 23.00309172 25.53509909 -28869.49978665 -12415.17642892 16343.75983295 Nd 23.92090076 20.98470115 24.27264506 -3190.40901460 -40139.28205438 19205.52531140 Nd 25.42023797 22.21481879 24.13857181 41918.98357946 45763.43741166 -46875.00620378 Nd 25.69107429 21.11116510 25.57342439 23919.15365883 -49629.15441540 56260.43565477 Nd 24.23496275 22.59022471 25.57069769 -253130.64947385 -311299.91538394 144483.87726773 Nd 21.26056042 24.29225480 23.92714615 -117452.19950596 -171241.57939269 23790.54929075 Nd 22.33312060 25.47421803 24.51254516 -16909.35268351 163528.11334740 -115900.13387087 Nd 22.70234640 23.80127937 25.37889208 -50084.22096086 67858.99540399 203045.54870653 Nd 20.88881606 25.68051120 25.51944430 -85002.83188566 18200.10394760 64367.03414423 Nd 23.98299168 23.99193439 24.12793292 -112233.68914468 -20198.37949999 -289103.34576430 Nd 25.35502657 25.54747255 24.02682593 31963.03521207 22224.71703938 -6625.44736108 Nd 25.20668588 23.80715774 25.22860337 435149.39688889 290311.49172838 100036.12907310 Nd 23.80232862 25.33935440 25.28499890 194811.18000891 94123.89275136 177653.89615186