32 Lattice="21.0 0.0 0.0 0.0 21.0 0.0 0.0 0.0 21.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=11579.690726748166 stress="-2.151365080234744 -1.7974167875889997 -0.5964498253646026 -1.7974167875889997 -4.8923890825749465 -0.8495881615049262 -0.5964498253646026 -0.8495881615049262 -1.8438160384097086" free_energy=11579.690726748166 pbc="F F F" user01 10.65308964 10.59389170 10.47110582 6.93061370 2.70135614 7.35196489 user01 11.63049781 11.03154574 10.60068855 -182.89795639 957.59052777 -553.78251852 user01 10.88667692 10.54515131 11.60253147 -50609.81394990 -78162.32936187 -30481.65843510 user01 10.57407454 11.42589345 11.06877306 -51.19007552 -127.27175892 56.84783311 user01 11.73366604 10.43559232 10.94382291 -358.16877422 -1225.75736151 373.09570265 user01 12.83705422 10.77500292 10.35116487 0.92808865 1.59424209 -3.70117963 user01 12.35245726 10.76653254 11.15635906 -989.23674141 -25188.28874406 -79.90561200 user01 12.37636801 11.25304853 11.15857676 1237.92213206 25352.25597160 153.67744113 user01 10.82291609 12.06062707 10.58513167 -131.78384222 -2.66211855 -714.55298033 user01 11.45812362 12.75490405 10.85371572 -3612.99259461 3545.52683785 -8643.24429524 user01 11.11706352 12.10495466 11.25794501 843.75641177 -1017.02267230 -1821.24630886 user01 10.41495761 12.35147395 11.23778048 -637.11795877 258.70102482 -7.96403604 user01 12.19178619 11.96500297 10.79140871 -1215.01159183 -1266.26442982 -937.11600718 user01 12.65679982 12.51468546 10.64945715 1371.78358845 1663.20951484 -4575.41959296 user01 12.53091226 12.36160541 11.21603997 -13.99353626 -567.68291736 3172.71019806 user01 11.66042648 12.56346479 11.32844294 4239.24748234 -2914.13933563 8669.23156191 user01 10.37020088 10.44530765 12.21916140 -115.11009146 -21.29585135 136.13594008 user01 11.09140989 10.86073457 11.72501028 50729.31348294 78190.95677881 30338.28101892 user01 11.21162850 10.58984619 12.71100798 10.17345913 -45.11876916 -21.08566698 user01 10.66836137 11.25308437 12.94955220 -20.72026443 31.98339539 6.68499004 user01 12.40470219 10.53412477 12.18575499 -25.88769841 -1.71102332 4.43044095 user01 13.00978669 10.83024382 11.56516445 323.26655810 -0.88094515 174.32426611 user01 12.99157247 10.43676218 12.91845258 6.34889709 -0.74829005 8.65718345 user01 11.86188791 11.20502810 12.89960811 15.13624041 16.98044757 2.64176716 user01 10.92054702 12.18146202 11.86497464 -728.26190487 219.80079241 2349.29022457 user01 11.41051436 12.64152617 12.40134557 1266.43142309 3221.48766264 -3796.37751621 user01 11.03220450 12.28278197 12.71505338 6159.93044109 -9099.50108897 -2496.99866644 user01 10.63362859 12.57702941 12.92373283 -8947.37911434 6596.39524842 4685.11209249 user01 12.29611640 12.16491802 11.84079265 -3829.18983044 -5234.34605322 1161.33977870 user01 12.63325137 12.64182522 11.82577390 3682.46199966 5499.90638828 1133.14466084 user01 12.73712102 12.28103176 12.80905418 7.88162035 -0.90952619 -6.52223754 user01 11.80396447 12.43779273 12.87462694 1567.24348626 -683.15994117 1706.61798797