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=101.71659182563505 stress="-521.8003093731686 -4.059939548786083 48.623189704526226 -4.059939548786083 -411.89003982211676 -75.64709551644015 48.623189704526226 -75.64709551644015 -513.5030446676769" pbc="F F F" Cn 0.05341804 -0.18095092 -0.05361083 -0.48831660 -0.30780852 -0.26416129 Cn 1.71960518 1.22580565 -0.10909685 -40.53854246 36.53020391 -5.60213077 Cn 1.22237125 0.39542136 1.69215195 19.97095092 -3.19260752 -33.59927063 Cn -0.04859300 2.00888016 1.15655702 -24.19846156 -29.54377281 9.45471656 Cn 2.90797697 0.19851291 0.01714791 33.11694231 -36.19856289 -1.14903877 Cn 4.38828958 1.43965379 0.28984144 2.54322175 10.90544371 -5.13911623 Cn 4.32592084 -0.13443383 1.10016160 6.15429845 -11.57360654 9.50831894 Cn 2.86495816 1.13759110 1.93930291 9.07609007 -3.43346763 -9.63246141 Cn 0.04327554 3.12535660 -0.10464444 -0.83993298 0.76620430 -28.40471207 Cn 1.30596533 4.53869054 0.35843385 94.18733944 14.86946039 -60.58720555 Cn 1.30222813 2.90873271 1.49076590 25.13961429 11.76711268 2.96734553 Cn -0.00594926 4.40671579 1.05116672 -103.98416117 2.44646685 64.52716347 Cn 3.12416066 3.28213205 0.27999950 -21.25401536 -90.92743190 -53.24814687 Cn 4.41699961 4.21609613 0.22864314 40.35612819 29.13149888 -6.71993298 Cn 4.63247510 3.02232928 1.68896841 5.49653927 6.43903651 -6.98724829 Cn 2.82606064 4.42408330 1.24530445 -8.98749992 64.23535540 60.62246439 Cn 0.21023036 0.33001764 2.93658575 -27.43862819 -4.49071475 29.38552031 Cn 1.60875168 1.77922215 3.11067453 -35.70701936 -31.84919869 -62.00581333 Cn 1.58415551 -0.24817670 4.47041842 -30.96267305 -6.09315795 31.67698073 Cn -0.19692485 1.32592284 4.51657420 -0.82960874 1.88298352 3.08519859 Cn 2.67513375 -0.18928485 3.28980360 27.48176993 -20.76472649 -40.07268114 Cn 4.45187279 1.84386513 2.97843204 21.50913591 -21.20859228 12.42624190 Cn 4.46427991 0.25024825 4.32408478 1.64477619 -1.09069155 0.97948915 Cn 2.66964070 1.23255300 4.18696365 30.50246345 7.90682863 40.06424079 Cn 0.03878401 3.03081197 2.92224241 -5.46630887 1.10038322 1.95806843 Cn 1.84498221 4.17872289 2.99284402 -46.91508467 -13.22964668 -89.62901574 Cn 1.56244620 2.89240727 4.20683201 -5.08795384 34.93466500 50.83626869 Cn 0.14933224 4.58588647 4.35201276 -0.41540719 0.79037125 0.66170574 Cn 3.06834965 2.74241041 2.75295095 -11.98095565 23.13632028 -1.12806198 Cn 4.45994463 4.56047822 3.33438691 -3.27589154 17.42840181 -18.60558292 Cn 4.70188625 3.42981165 4.53517192 3.62908203 -17.23163927 18.48835165 Cn 2.53900544 4.53658497 4.28099478 47.56210895 26.86488914 86.13250507