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=58391.67216239767 stress="-3.526461023508758 0.5956389594954051 1.8739129237900591 0.5956389594954051 -2.320928430047004 0.1521071332775013 1.8739129237900591 0.1521071332775013 -4.102408097722397" free_energy=58391.67216239767 pbc="F F F" Sb 20.89015490 21.12095780 20.85352494 -138.01660384 -96.14251737 -97.19359943 Sb 22.42698939 22.81695742 20.91534195 2737.83253110 -4094.47282305 -3498.59759312 Sb 22.33398042 20.95793393 22.66772384 44281.93378246 8173.51539629 -42657.03690054 Sb 21.22537007 22.61690427 22.75662689 -16666.22914535 -18038.46213190 1786.63848519 Sb 23.55424521 20.96791965 20.93532410 -1597.74584231 -62.66125079 -1699.20840851 Sb 25.25075012 22.51463173 20.78270036 583.93763245 -222.61110862 -347.69342062 Sb 25.02915508 20.77474862 22.04315228 2091.02234645 -895.05201326 1186.23096885 Sb 24.17904533 22.55326080 22.72657125 -10844.73061676 149.13690977 -19970.07182819 Sb 21.06561610 23.93454527 21.21069971 -5881.96416012 2447.52928899 -3358.58604382 Sb 22.78983625 25.46028292 21.05865258 -3725.00388421 2492.38085774 -2763.22557463 Sb 22.28971704 23.72247657 22.48241766 18751.98735889 17676.10852966 1118.39010524 Sb 20.93547854 25.56205504 22.31675881 -294.75733404 926.91873830 622.69808059 Sb 23.98772411 24.11212099 20.80953759 2061.31080455 -1491.43889749 -698.29534891 Sb 25.59411525 25.74634517 21.03187205 107.92045045 86.54687010 -27.47207427 Sb 25.50121417 23.93045154 22.83292221 2439.72942783 1377.38403173 -1307.42646990 Sb 23.77459117 25.39825585 22.56010443 91540.22579951 -11336.62539015 -115753.77826753 Sb 21.30472869 20.74929639 23.66654657 -44217.10057312 -9477.97020344 42933.88217829 Sb 22.57883716 22.52276646 24.40173414 1136.14088129 4120.63049300 -6698.36395891 Sb 22.88293864 21.14364402 25.38439232 -1925.51588340 -7995.26864243 5547.76554121 Sb 21.36691156 22.21711992 25.65067518 -4669.37060335 -167.37613416 3887.15694608 Sb 24.06780602 20.78699509 24.04842560 -9849.88627442 -12781.72856575 -6242.41696568 Sb 25.06238546 22.08813971 23.97053736 22301.50530427 14651.27172251 -23240.29771086 Sb 25.20740090 21.26700118 25.23716456 56135.34862752 -69443.47169644 23362.56196242 Sb 24.24884751 22.31368505 25.43362439 -48937.68969422 52888.39187623 20982.09967995 Sb 21.04231828 23.66074667 24.22276453 -3662.99927841 2100.06953822 292.15029687 Sb 22.96044030 25.50291312 23.63879558 -89760.76435563 11732.74693889 118748.13664679 Sb 22.19753830 24.28088368 25.48634093 3538.74581439 -1108.22001644 1919.37055266 Sb 21.19209449 25.77246523 25.73579005 -1719.35366807 2562.46794693 428.61261625 Sb 24.18086152 23.51467513 24.12534476 -5651.90415773 14068.49426015 3226.16556258 Sb 25.39012647 25.67124512 24.12412940 1684.11536230 433.24553969 -1608.99485342 Sb 25.14891770 24.09187238 25.60098125 2656.18759697 -462.78504445 2183.39989185 Sb 24.13927469 25.66424263 25.49839908 -2504.91164543 1787.44749753 1743.39950349