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=101.71659182563519 stress="-0.0070429800962796656 -5.47988817188381e-05 0.0006562896785515181 -5.47988817188381e-05 -0.005559470357171441 -0.0010210438332312918 0.0006562896785515181 -0.0010210438332312918 -0.00693098807725514" free_energy=101.71659182563519 pbc="F F F" Cn 21.05341804 20.81904908 20.94638917 -0.48831660 -0.30780852 -0.26416129 Cn 22.71960518 22.22580565 20.89090315 -40.53854246 36.53020391 -5.60213077 Cn 22.22237125 21.39542136 22.69215195 19.97095092 -3.19260752 -33.59927063 Cn 20.95140700 23.00888016 22.15655702 -24.19846156 -29.54377281 9.45471656 Cn 23.90797697 21.19851291 21.01714791 33.11694231 -36.19856289 -1.14903877 Cn 25.38828958 22.43965379 21.28984144 2.54322175 10.90544371 -5.13911623 Cn 25.32592084 20.86556617 22.10016160 6.15429845 -11.57360654 9.50831894 Cn 23.86495816 22.13759110 22.93930291 9.07609007 -3.43346763 -9.63246141 Cn 21.04327554 24.12535660 20.89535556 -0.83993298 0.76620430 -28.40471207 Cn 22.30596533 25.53869054 21.35843385 94.18733944 14.86946039 -60.58720555 Cn 22.30222813 23.90873271 22.49076590 25.13961429 11.76711268 2.96734553 Cn 20.99405074 25.40671579 22.05116672 -103.98416117 2.44646685 64.52716347 Cn 24.12416066 24.28213205 21.27999950 -21.25401536 -90.92743190 -53.24814687 Cn 25.41699961 25.21609613 21.22864314 40.35612819 29.13149888 -6.71993298 Cn 25.63247510 24.02232928 22.68896841 5.49653927 6.43903651 -6.98724829 Cn 23.82606064 25.42408330 22.24530445 -8.98749992 64.23535540 60.62246439 Cn 21.21023036 21.33001764 23.93658575 -27.43862819 -4.49071475 29.38552031 Cn 22.60875168 22.77922215 24.11067453 -35.70701936 -31.84919869 -62.00581333 Cn 22.58415551 20.75182330 25.47041842 -30.96267305 -6.09315795 31.67698073 Cn 20.80307515 22.32592284 25.51657420 -0.82960874 1.88298352 3.08519859 Cn 23.67513375 20.81071515 24.28980360 27.48176993 -20.76472649 -40.07268114 Cn 25.45187279 22.84386513 23.97843204 21.50913591 -21.20859228 12.42624190 Cn 25.46427991 21.25024825 25.32408478 1.64477619 -1.09069155 0.97948915 Cn 23.66964070 22.23255300 25.18696365 30.50246345 7.90682863 40.06424079 Cn 21.03878401 24.03081197 23.92224241 -5.46630887 1.10038322 1.95806843 Cn 22.84498221 25.17872289 23.99284402 -46.91508467 -13.22964668 -89.62901574 Cn 22.56244620 23.89240727 25.20683201 -5.08795384 34.93466500 50.83626869 Cn 21.14933224 25.58588647 25.35201276 -0.41540719 0.79037125 0.66170574 Cn 24.06834965 23.74241041 23.75295095 -11.98095565 23.13632028 -1.12806198 Cn 25.45994463 25.56047822 24.33438691 -3.27589154 17.42840181 -18.60558292 Cn 25.70188625 24.42981165 25.53517192 3.62908203 -17.23163927 18.48835165 Cn 23.53900544 25.53658497 25.28099478 47.56210895 26.86488914 86.13250507