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=92593.8999117819 stress="-425193.45724542276 37155.472741435806 142108.48194375914 37155.472741435806 -291187.27968395397 -44005.891631035774 142108.48194375914 -44005.891631035774 -469063.0331168566" pbc="F F F" Sg -0.18464652 -0.02980890 0.05822691 -770.71869875 -58.85891128 -505.99682048 Sg 1.61552785 1.67075974 -0.26868981 -3684.73508878 -2094.49005156 -3058.73976571 Sg 1.62217759 -0.16626344 1.21792645 -107223.31855095 6288.34344238 83133.74642379 Sg -0.11539794 1.74773863 1.77866325 -6593.83818793 -36550.76334406 -45738.11673909 Sg 2.78804713 -0.25389754 0.31334224 106242.38655545 -11804.78854218 -85016.83090274 Sg 4.69496631 1.39005308 0.36689628 2225.30293779 257.52427386 -1381.98489430 Sg 4.38725481 -0.21845725 1.89804934 5183.80466643 -1064.36914569 -4175.50046642 Sg 2.89761068 1.42039368 1.25581115 1342.65984217 209.13681737 4819.20750003 Sg -0.09219355 3.29988862 0.15386102 -11381.00556762 -23294.79606248 -8698.59145332 Sg 1.10863155 4.55334578 -0.01544739 27697.20400918 9599.27682309 -20878.29537458 Sg 1.71886222 3.19477719 1.57239895 -12891.59590267 -15604.58965712 -15548.69122179 Sg -0.03363257 4.68268595 1.20405993 -17485.03596603 14995.14397190 28287.80698273 Sg 2.85090169 3.07369030 0.25438590 8528.85985832 -3292.23521103 -19163.96509278 Sg 4.45252876 4.60469023 -0.11578867 6184.32078343 1890.38384191 -8950.11327209 Sg 4.64456397 3.45206031 1.85756074 44352.09388584 -37485.73988821 6749.83695399 Sg 3.44746424 4.36198412 1.34914540 -42371.02424607 37153.16585342 -5281.75450586 Sg -0.02459069 0.25877178 3.24203315 -2076.12888926 -9374.53596980 -11478.50707608 Sg 1.73363230 1.38329153 3.13518463 -27524.47845056 -14903.82567062 -17790.51227171 Sg 1.62453109 -0.02481471 4.69259404 1129.84164366 -2624.01277174 2275.52478653 Sg 0.05132227 1.20321405 4.71529671 -1590.21060673 8979.42383838 12534.32523599 Sg 3.02680160 -0.23464302 3.16230235 -7156.76485453 -2730.61185345 -51.01513694 Sg 4.56816057 1.65751810 3.00819775 3527.27575340 -942.58651555 -935.46656170 Sg 4.43521784 0.08738937 4.36428083 4347.30820113 -345.14696985 4582.53329620 Sg 2.89871807 1.76210346 4.26366586 24746.46944843 -17018.72471923 42418.12324142 Sg 0.04888811 2.74370729 2.98776489 4435.67267137 37128.60683471 45008.66036924 Sg 1.56550648 4.26782942 2.83138732 -6001.87894618 20354.24155694 18949.49507470 Sg 1.67407775 3.03763885 4.63625192 -7444.12796329 5759.11710965 4097.47926361 Sg -0.07235614 4.67130635 4.69054517 -165.09678674 153.22403112 78.10904350 Sg 2.87428792 2.70003888 2.89637299 11235.19263626 23809.78139513 -21038.61475714 Sg 4.15890613 4.52951999 3.16704160 58295.48703333 41523.84681016 -73196.89571418 Sg 4.21253156 3.40624946 4.29370076 15368.44542972 -45421.05613779 39299.90540541 Sg 2.95779771 4.59059021 4.12735634 -70482.36664981 16509.91482162 50654.83844977