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=92593.89991178199 stress="-5.739032734659121 0.5015045991447586 1.9181039027070506 0.5015045991447586 -3.9302893813296746 -0.5939678710592085 1.9181039027070506 -0.5939678710592085 -6.33116068886802" free_energy=92593.89991178199 pbc="F F F" Sg 20.81535348 20.97019110 21.05822691 -770.71869875 -58.85891128 -505.99682048 Sg 22.61552785 22.67075974 20.73131019 -3684.73508878 -2094.49005156 -3058.73976571 Sg 22.62217759 20.83373656 22.21792645 -107223.31855096 6288.34344238 83133.74642379 Sg 20.88460206 22.74773863 22.77866325 -6593.83818793 -36550.76334406 -45738.11673909 Sg 23.78804713 20.74610246 21.31334224 106242.38655545 -11804.78854218 -85016.83090274 Sg 25.69496631 22.39005308 21.36689628 2225.30293779 257.52427386 -1381.98489430 Sg 25.38725481 20.78154275 22.89804934 5183.80466643 -1064.36914569 -4175.50046642 Sg 23.89761068 22.42039368 22.25581115 1342.65984217 209.13681737 4819.20750003 Sg 20.90780645 24.29988862 21.15386102 -11381.00556762 -23294.79606248 -8698.59145332 Sg 22.10863155 25.55334578 20.98455261 27697.20400918 9599.27682309 -20878.29537458 Sg 22.71886222 24.19477719 22.57239895 -12891.59590267 -15604.58965712 -15548.69122179 Sg 20.96636743 25.68268595 22.20405993 -17485.03596603 14995.14397190 28287.80698273 Sg 23.85090169 24.07369030 21.25438590 8528.85985832 -3292.23521103 -19163.96509278 Sg 25.45252876 25.60469023 20.88421133 6184.32078343 1890.38384191 -8950.11327209 Sg 25.64456397 24.45206031 22.85756074 44352.09388584 -37485.73988821 6749.83695399 Sg 24.44746424 25.36198412 22.34914540 -42371.02424607 37153.16585342 -5281.75450586 Sg 20.97540931 21.25877178 24.24203315 -2076.12888926 -9374.53596980 -11478.50707608 Sg 22.73363230 22.38329153 24.13518463 -27524.47845056 -14903.82567062 -17790.51227171 Sg 22.62453109 20.97518529 25.69259404 1129.84164366 -2624.01277174 2275.52478653 Sg 21.05132227 22.20321405 25.71529671 -1590.21060673 8979.42383838 12534.32523599 Sg 24.02680160 20.76535698 24.16230235 -7156.76485453 -2730.61185345 -51.01513694 Sg 25.56816057 22.65751810 24.00819775 3527.27575340 -942.58651555 -935.46656170 Sg 25.43521784 21.08738937 25.36428083 4347.30820113 -345.14696985 4582.53329620 Sg 23.89871807 22.76210346 25.26366586 24746.46944843 -17018.72471923 42418.12324142 Sg 21.04888811 23.74370729 23.98776489 4435.67267137 37128.60683471 45008.66036923 Sg 22.56550648 25.26782942 23.83138732 -6001.87894618 20354.24155694 18949.49507470 Sg 22.67407775 24.03763885 25.63625192 -7444.12796329 5759.11710965 4097.47926361 Sg 20.92764386 25.67130635 25.69054517 -165.09678674 153.22403112 78.10904350 Sg 23.87428792 23.70003888 23.89637299 11235.19263626 23809.78139513 -21038.61475714 Sg 25.15890613 25.52951999 24.16704160 58295.48703333 41523.84681016 -73196.89571418 Sg 25.21253156 24.40624946 25.29370076 15368.44542972 -45421.05613779 39299.90540542 Sg 23.95779771 25.59059021 25.12735634 -70482.36664981 16509.91482162 50654.83844977