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=99489.18540252332 stress="-422888.51130664523 -4960.147123105329 29873.10553153635 -4960.147123105329 -381262.70137616014 36110.28899258832 29873.10553153635 36110.28899258832 -463263.425312901" pbc="F F F" Re 0.03043964 -0.02510758 -0.17016664 -2417.83541633 -581.17151808 -2971.72578728 Re 1.74451066 1.60294754 -0.10697233 -30370.82592468 28570.35515720 -8171.15941063 Re 1.33245616 -0.03647204 1.35963751 25586.30091294 -16440.95510809 -17495.96759563 Re 0.27303499 1.33490556 1.61607253 -9678.49714347 11280.68057024 -15095.26137926 Re 2.72836004 0.28940924 0.11375577 25188.00635835 -37028.03110599 -1320.45405176 Re 4.28535710 1.42011415 0.26298350 1791.72235382 19106.81722186 -21840.25780863 Re 4.69767523 0.14050210 1.29967076 8760.72614703 -25141.26298746 16573.57705323 Re 2.89193904 1.52460873 1.75615100 -13804.65977677 -4228.33743235 -16437.92161953 Re -0.14196702 3.15725469 -0.07270805 -318.18862651 -1139.35875264 -1777.10002432 Re 1.91988534 4.44723237 -0.01065275 -34121.15086490 169.46522465 -53360.05683001 Re 1.75567745 3.13268474 1.66245883 -19219.98041957 -5177.78006856 -13164.11685367 Re -0.22721669 4.41239330 1.57995713 -1715.20560908 3107.13502851 -875.17814251 Re 3.06678501 2.93551091 0.01967252 -6121.25596556 473.46280624 -17261.12519098 Re 4.69135554 4.28971062 0.16098132 6881.65608657 14786.71317009 -13443.89803752 Re 4.22149604 3.07376908 1.33296923 9890.54981486 -7623.11501192 29225.85874731 Re 2.72374466 4.61589277 1.37578324 37022.53943198 20258.01101318 50304.80457481 Re 0.27553719 -0.13365494 2.70074396 -17956.74964875 -11572.07407842 27758.09385299 Re 1.29437302 1.75641112 3.43177633 -5086.50384716 -42901.72025290 -29577.26806541 Re 1.77277611 0.12780510 4.30267307 -55259.09860412 -12867.75232905 57318.68118868 Re -0.04355133 1.78017894 4.55539940 -30367.11567386 -12843.37533770 14492.22637340 Re 2.90803207 0.24172384 3.20831384 47577.37916578 -9148.89392526 -55120.66999274 Re 4.29661035 1.42993846 2.80647396 23963.67056981 4148.10587543 8952.96098242 Re 4.23014959 0.09877738 4.72562809 5091.36576475 -4746.60607791 3433.83903327 Re 3.13407087 1.66784405 4.42650869 -8769.97088111 -11355.97793479 20061.97020861 Re -0.10633013 2.68120365 2.69881869 -13541.07600551 17645.53862336 5783.59006943 Re 1.17492646 4.59370444 3.12922622 13230.96721675 2812.75389809 -18509.84146656 Re 1.29227645 2.92301038 4.64333184 14011.59295403 32358.90533283 29023.17835254 Re 0.17782474 4.53579634 4.54063018 -16396.90730756 2867.86495909 19356.44928558 Re 2.62499478 2.74955569 3.14033730 30051.29134881 33157.19718713 396.12755362 Re 4.70291874 4.43033862 3.51963155 870.68829680 2506.44056844 -1876.86693889 Re 4.53284601 2.73411369 4.60071126 14229.31296943 8717.37370875 4130.70504045 Re 2.72773569 4.67954599 4.56809329 997.25232328 829.59157606 1486.80687898