32 Lattice="72.625 0.0 0.0 0.0 72.625 0.0 0.0 0.0 72.625" Properties=species:S:1:pos:R:3:forces:R:3 energy=101.74178212253558 stress="-0.00045050424189231093 7.074141251033952e-07 2.3438163598965374e-06 7.074141251033952e-07 -0.000447701067575726 -2.9979779299609974e-07 2.3438163598965374e-06 -2.9979779299609974e-07 -0.0004530399728843079" free_energy=101.74178212253558 pbc="F F F" P 36.20617696 36.16442370 36.23790967 -1.75433177 -1.83863681 -1.69246964 P 38.80622400 38.84709106 36.10587850 -0.53203564 -0.11204584 -3.71849541 P 39.03532319 36.36240450 38.65829788 -0.37681386 -4.06652667 -0.04343908 P 36.44942569 38.63219107 38.87715398 -3.85762987 0.22097155 -0.19874031 P 41.72833845 36.22893312 36.20721780 -0.45190188 -3.16596568 -3.37819053 P 44.06123061 38.72474423 36.49428244 3.41230948 1.07079659 -3.48161528 P 43.89971724 36.47425196 38.76538748 3.18716394 -3.94758352 1.06409819 P 41.42002075 38.69737450 38.67293735 -0.35764462 0.52528397 0.52667459 P 36.12663689 41.43051299 36.28343493 -2.14586409 0.53622796 -1.90111458 P 39.09447135 44.33867662 36.08428775 -0.42707159 1.86104490 -2.06453433 P 38.92377621 41.31467796 39.05808504 -0.48158057 1.15129219 -1.14365946 P 36.22385700 44.29019881 38.92895143 -2.07991437 1.95415331 -0.39526841 P 41.31281792 41.25246943 36.18656084 0.51104886 1.01509236 -3.12547298 P 44.27777743 43.91862471 36.30196192 1.45742011 1.36654165 -1.52440369 P 44.02957625 41.42248638 39.05714258 4.00027872 0.55117103 -1.88809106 P 41.35687768 44.20293732 38.98954375 0.38964445 3.19524358 -1.43224823 P 36.53017296 36.32244793 41.64800824 -2.93105009 -2.92629684 -0.00079946 P 38.86456894 38.94288751 41.40566041 0.39330487 -0.20042187 0.36553821 P 39.07607781 36.51128830 43.90143483 -1.31328251 -2.78291862 3.84329583 P 36.13108079 38.95964339 44.24996120 -2.59615121 -0.36981322 2.52575837 P 41.28389401 36.21225648 41.73092940 0.89000304 -3.46035467 -1.30746125 P 43.99267598 38.86030890 41.27604260 3.31750568 -0.67379175 1.03242195 P 43.85895293 36.42596735 43.89732717 2.62121933 -2.09541652 2.06716226 P 41.44742625 38.89085996 44.34356379 0.61658321 0.69248116 3.22862592 P 36.46703171 41.46217452 41.60550117 -3.79851661 0.42610341 -0.40829229 P 39.07283103 44.20176000 41.39521549 -0.32614143 3.09789396 0.81521341 P 38.94089067 41.30470705 43.99798000 0.47634193 0.83983007 3.27295548 P 36.56057045 44.07936409 43.97763056 -1.74229431 2.07682651 2.03600972 P 41.83500250 41.47355955 41.25183599 -1.54924879 -0.44177664 1.72050373 P 43.85838238 43.97326192 41.41597623 3.31993502 3.47318338 0.57016754 P 44.31237782 41.38434477 44.26879462 2.47664963 -0.07552466 2.15234048 P 41.84402560 44.05182242 44.34037227 -0.34793505 2.10293571 2.48353029