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:Z:I:1:forces:R:3 energy=3926.079302856982 pbc="F F F" Rg 0.14919403 0.23929715 -0.08247581 111 -259.78113675 -21.58665161 -278.77571857 Rg 1.45858083 1.72219230 0.26713153 111 -1285.15902716 -102.56937008 -515.72597731 Rg 1.28747275 0.05029543 1.32553109 111 341.58021186 -471.03662658 171.06440615 Rg 0.20611769 1.36585592 1.92265356 111 -95.71487355 1186.69534961 -786.09028504 Rg 2.94712042 0.26832144 -0.07187439 111 -757.82049721 -895.71530871 -642.01620684 Rg 4.49045091 0.95765237 -0.02927399 111 858.77390145 476.12721657 -230.13892425 Rg 4.71172063 0.14315617 1.62460201 111 30.92112152 -119.30090750 223.14966517 Rg 2.76341173 1.33752000 1.25833185 111 779.26780875 263.64732650 1191.53290770 Rg -0.10833299 3.40523132 0.00689700 111 -20.80055483 -15.55972379 -1.64228873 Rg 1.71582739 4.54801152 0.05926055 111 -93.71954761 115.99830889 -136.39968636 Rg 1.60056718 3.30778710 1.65765240 111 265.96730643 -558.84094496 -43.82509782 Rg 0.35558347 4.48832941 1.99222002 111 -486.99455047 586.82566785 -139.13281396 Rg 2.72939947 2.82343792 -0.10358827 111 546.72317187 453.03438757 -272.52242317 Rg 4.21649533 4.52433459 0.31239186 111 563.29594490 65.46670551 -604.94370874 Rg 4.34726013 2.72017920 1.12206192 111 85.14003552 -53.35814292 75.50285859 Rg 3.00566212 4.57363995 1.52232685 111 -666.53364773 249.20149022 276.73797164 Rg 0.01416744 0.18111545 3.05758732 111 -211.44347614 -1323.87475757 383.96780806 Rg 2.03533866 1.40226965 3.14175032 111 -2608.92230698 5896.84065387 -380.16555365 Rg 1.56797964 0.18107951 4.29678910 111 -864.33767765 -421.22151985 1450.01210829 Rg -0.05749762 1.25391501 4.43312519 111 -126.85685969 436.80806257 495.12594286 Rg 2.64128385 0.06691592 3.04543753 111 3491.99793182 -5921.69063656 -1405.70895608 Rg 4.32428261 1.65478771 3.19584945 111 877.92804268 -3264.75601331 -3270.90856825 Rg 4.58217677 -0.03397690 4.33821630 111 24.65069898 -62.08989670 24.45442750 Rg 3.19564496 1.56391899 4.56956008 111 -1571.18178908 -1810.29537804 1102.33198746 Rg -0.12208365 3.04705526 3.05492598 111 -132.40812121 -384.41457707 -89.33103438 Rg 1.78896558 4.76089662 3.22158231 111 -854.94521198 379.07127031 -465.29371343 Rg 1.65596993 2.74913823 4.27618076 111 -186.76458968 318.89822305 272.89549861 Rg 0.08131201 4.24241123 4.40939137 111 7.77569776 232.55442736 271.74583288 Rg 3.23449751 3.06352916 3.00040932 111 -2522.59032902 -1928.36476250 -1981.65716975 Rg 4.25451267 4.26450465 2.75195149 111 2194.56963632 1517.99688808 -624.70512889 Rg 4.20651013 2.73725104 4.25092727 111 2358.09455899 4270.52459569 3850.78323100 Rg 3.15310082 4.31727312 4.06534403 111 319.28812789 904.98464411 2079.67860929