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=2823.23837007828 stress="-0.2546368806127968 0.04511279315540954 -0.012509078271066227 0.04511279315540954 -0.21383554547130645 0.012292589036127663 -0.012509078271066227 0.012292589036127663 -0.12056347615281143" free_energy=2823.23837007828 pbc="F F F" Rg 20.83362837 21.44525830 21.24329641 -36.64775515 -34.73073928 -57.27960626 Rg 22.35350650 23.04065234 20.94987724 3031.37352617 -3226.38722908 -911.05511918 Rg 22.41465132 21.28349946 22.65276319 186.19920862 -226.06212011 -259.19645060 Rg 21.18465295 22.66795540 22.85673069 -350.97281092 33.41329514 -313.79201386 Rg 24.20844058 21.16685422 20.91528506 -3431.02536867 -2503.65353204 -77.92636822 Rg 25.42071070 22.07870239 20.92015272 3235.92199044 3021.11232026 -600.43743152 Rg 25.68486015 20.98527022 22.20963434 199.37671888 -531.33429058 681.23294990 Rg 23.88518172 22.74985414 22.66060313 2004.04309022 -2196.27605170 340.58628225 Rg 21.22516794 24.03179746 21.10282519 -3551.05428002 2761.00058905 463.95807244 Rg 22.51646688 25.32515525 20.79638629 141.51549895 198.86393597 -87.52741806 Rg 22.74984180 23.79527985 22.50606296 -2347.87678926 1747.25335006 -95.39976453 Rg 20.77713982 25.55419648 22.97108358 -9.77807446 11.54000963 -16.57661263 Rg 24.07924624 23.73828062 21.12252894 293.01315213 154.01359230 -416.49387217 Rg 25.46375854 25.33316242 20.99173223 34.66231855 52.74878843 -47.00520238 Rg 25.64735762 23.86399690 22.45585484 146.16225213 328.46270547 -286.05248510 Rg 23.82893329 25.27333499 22.36553439 747.49832641 411.08698079 -658.17055639 Rg 21.20073008 21.14677678 24.12226237 -225.95934260 -470.66518281 -32.36476248 Rg 22.42709905 22.52564911 24.30334486 207.29635160 265.44373685 -13.89579579 Rg 22.74320672 21.22037033 25.72986794 -445.25540917 -473.72235165 344.77626373 Rg 20.81977486 22.44173870 25.38382543 -227.57525373 -29.29531548 435.53730139 Rg 23.71902265 21.27847413 24.11612056 373.33400097 -516.62037866 -362.29495034 Rg 25.38273638 22.64131077 23.71327117 196.51426209 -343.17955566 508.31585869 Rg 25.55930644 20.89624925 25.15238783 22.95812917 -11.56132573 13.32471021 Rg 23.94243270 22.48164711 25.46387833 510.16747484 539.77927949 304.45270564 Rg 21.19654733 23.84971874 24.25892725 -493.76249685 511.61869025 -257.25392802 Rg 22.80748774 25.09622276 23.70357908 -2098.67139972 1586.06442728 115.24654831 Rg 22.34722090 24.35753139 25.53008701 376.05975478 -341.92957269 448.33718988 Rg 21.13527228 25.65780291 25.43436279 -315.52916286 358.35521440 -16.34427420 Rg 23.94317134 24.18528352 24.34193528 1424.60870894 -1437.50344879 441.58074876 Rg 25.53329417 25.51567114 24.18719969 48.42272588 73.12124070 -63.63081071 Rg 25.28750347 24.07411481 25.58743073 272.08051198 -74.69180317 251.85422674 Rg 23.83802235 25.53235680 25.59226857 82.90014066 363.73474137 223.49456447