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=2823.238370078275 stress="-18865.537210840885 3342.3166192978497 -926.7725909467993 3342.3166192978497 -15842.647892878129 910.7333365086097 -926.7725909467993 910.7333365086097 -8932.306821209499" pbc="F F F" Rg -0.16637163 0.44525830 0.24329641 -36.64775515 -34.73073928 -57.27960626 Rg 1.35350650 2.04065234 -0.05012276 3031.37352617 -3226.38722908 -911.05511918 Rg 1.41465132 0.28349946 1.65276319 186.19920862 -226.06212011 -259.19645060 Rg 0.18465295 1.66795540 1.85673069 -350.97281092 33.41329514 -313.79201386 Rg 3.20844058 0.16685422 -0.08471494 -3431.02536867 -2503.65353204 -77.92636822 Rg 4.42071070 1.07870239 -0.07984728 3235.92199044 3021.11232026 -600.43743152 Rg 4.68486015 -0.01472978 1.20963434 199.37671888 -531.33429058 681.23294990 Rg 2.88518172 1.74985414 1.66060313 2004.04309022 -2196.27605170 340.58628225 Rg 0.22516794 3.03179746 0.10282519 -3551.05428002 2761.00058905 463.95807244 Rg 1.51646688 4.32515525 -0.20361371 141.51549895 198.86393597 -87.52741806 Rg 1.74984180 2.79527985 1.50606296 -2347.87678926 1747.25335006 -95.39976453 Rg -0.22286018 4.55419648 1.97108358 -9.77807446 11.54000963 -16.57661263 Rg 3.07924624 2.73828062 0.12252894 293.01315213 154.01359230 -416.49387217 Rg 4.46375854 4.33316242 -0.00826777 34.66231855 52.74878843 -47.00520238 Rg 4.64735762 2.86399690 1.45585484 146.16225213 328.46270547 -286.05248510 Rg 2.82893329 4.27333499 1.36553439 747.49832641 411.08698079 -658.17055639 Rg 0.20073008 0.14677678 3.12226237 -225.95934260 -470.66518281 -32.36476248 Rg 1.42709905 1.52564911 3.30334486 207.29635160 265.44373685 -13.89579579 Rg 1.74320672 0.22037033 4.72986794 -445.25540917 -473.72235165 344.77626373 Rg -0.18022514 1.44173870 4.38382543 -227.57525373 -29.29531548 435.53730139 Rg 2.71902265 0.27847413 3.11612056 373.33400097 -516.62037866 -362.29495034 Rg 4.38273638 1.64131077 2.71327117 196.51426209 -343.17955566 508.31585869 Rg 4.55930644 -0.10375075 4.15238783 22.95812917 -11.56132573 13.32471021 Rg 2.94243270 1.48164711 4.46387833 510.16747484 539.77927949 304.45270564 Rg 0.19654733 2.84971874 3.25892725 -493.76249685 511.61869025 -257.25392802 Rg 1.80748774 4.09622276 2.70357908 -2098.67139972 1586.06442728 115.24654831 Rg 1.34722090 3.35753139 4.53008701 376.05975478 -341.92957269 448.33718988 Rg 0.13527228 4.65780291 4.43436279 -315.52916286 358.35521440 -16.34427420 Rg 2.94317134 3.18528352 3.34193528 1424.60870894 -1437.50344879 441.58074876 Rg 4.53329417 4.51567114 3.18719969 48.42272588 73.12124070 -63.63081071 Rg 4.28750347 3.07411481 4.58743073 272.08051198 -74.69180317 251.85422674 Rg 2.83802235 4.53235680 4.59226857 82.90014066 363.73474137 223.49456447