32 Lattice="6.0 0.0 0.0 0.0 6.0 0.0 0.0 0.0 6.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=730.37451548 stress="-20.244206541910405 -1.5120964454253099 -1.9011558943218883 -1.5120964454253099 -19.416785759142368 2.8612328490224406 -1.9011558943218883 2.8612328490224406 -20.836753042857012" pbc="F F F" P -0.03036777 0.15586213 0.03333221 -117.94117919 -88.95790326 -26.34867716 In 1.33226600 1.23049600 0.12036030 96.18811214 103.58187456 -72.92954096 P 1.45631248 0.24843919 1.64432661 -65.04694090 -243.98451603 -171.79731597 In -0.23976508 1.50667828 1.85031536 -290.19543735 32.15680260 -210.01622410 In 2.98660203 0.41333956 0.38794946 -14.03057752 -59.24001454 -131.15705165 P 4.48513932 1.78523693 -0.11379247 22.21854440 -30.52833920 -55.27087503 P 4.35431870 -0.21988289 1.51895907 95.12206917 -91.54635970 -20.12384491 In 3.05791531 1.23387496 1.58501927 82.64616319 431.12489090 -354.86813208 P 0.06603388 2.76885767 0.12992722 -64.39062231 8.54068252 -51.02868030 P 1.72580078 4.42866320 0.18883157 -122.14479446 101.49256464 -128.51348544 In 1.26216250 3.16577065 1.49362664 39.34070299 -32.90923683 67.68842109 In 0.21186360 4.59260533 1.61144600 -28.95846699 30.69579975 -0.57598448 In 2.90295338 3.10338854 0.14660358 31.91339493 -86.82180356 -11.99023450 P 4.52830948 4.12640210 -0.02123610 39.21401472 46.91516916 -26.17819761 P 4.48702489 2.70152591 1.68843096 72.90106794 67.89353931 -48.53947747 In 2.93129017 4.76020798 1.42146625 86.65264625 44.01974082 77.98978366 In -0.04139972 0.03851086 2.99611405 -126.74659821 -154.23766296 37.17167892 P 1.03857139 1.32929456 2.78747849 294.06807721 248.56514157 339.87253141 In 1.63816024 -0.20268115 4.54512150 1.51882223 -13.45837743 10.09701323 In -0.03008478 1.79814986 4.45473722 -17.67324681 -5.86487859 34.58455791 P 2.82230465 0.28460712 2.75346517 -85.74656638 -417.76268740 515.26856560 In 4.26772449 1.27715687 2.74014891 119.12850316 21.12178878 100.40765364 P 4.61117016 -0.11299084 4.45738889 5.43023497 -6.98313151 13.31593046 In 2.70449856 1.64993275 4.42002739 4.62547558 -12.82572945 13.89976008 In -0.08947765 2.96515582 2.94233315 -27.94266291 37.53785658 5.61698774 P 1.59566688 4.62528982 3.29412811 -89.59748797 114.70973865 -82.68924368 In 1.58240006 3.16925047 4.29301824 -5.29193905 -75.13625406 80.35206143 In -0.23437067 4.51312582 4.71169897 -4.76871650 9.84421165 7.85366335 P 3.01258782 3.22558148 2.83956227 -47.16369448 -52.04937422 -11.78211530 P 4.62365747 4.45588739 3.12278311 85.19712808 43.70862213 -35.66505535 P 4.31109490 2.89078388 4.69756674 30.86607303 -24.73544354 38.12172829 P 3.16589383 4.74404962 4.36810690 0.60790102 55.13328866 97.23379919