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=-29.09032313801141 stress="0.5496071819339092 -0.13582575335545224 0.0841753148794059 -0.13582575335545224 0.22863658685992735 -0.001217408479817286 0.0841753148794059 -0.001217408479817286 0.40177565794818426" free_energy=-29.09032313801141 pbc="F F F" C 0.24694533 0.06112623 0.03792689 -0.00043943 -0.04050392 -0.01046346 C 1.66501753 1.72580078 0.37928957 2.27031570 -1.20927026 1.64226916 H 1.57122590 0.21693604 1.35243241 0.80866178 0.05814282 -0.67456809 C 0.21722510 1.33919444 1.80464840 -1.08403820 -0.74391758 4.13406604 H 2.84352542 0.30379519 0.30405976 -0.78588295 -0.05615136 0.64432702 C 4.64520430 1.59498995 0.18843096 0.06765691 2.31899522 2.43389672 H 4.63488915 0.29169807 1.46863002 -0.00841813 0.00756935 0.00253940 H 2.96814927 1.68870629 1.78333591 0.75605653 -0.17856790 0.44127180 H 0.28095696 2.82464588 0.26008946 2.15944269 2.56683086 4.42194868 C 1.37675974 4.32230465 0.28460712 2.34888725 -3.48138484 11.40396012 C 1.25346517 2.91391347 1.27715687 -12.41595851 5.27489037 1.02015576 H 0.11893942 4.46411004 1.33885520 2.55786523 0.14730461 -2.49151279 H 3.07407164 3.26320353 0.05636729 0.15976692 0.02682099 -0.09597720 C 4.62457272 4.34590546 0.08806897 -0.01041932 -0.00939806 0.00993040 H 4.68720416 2.79301824 1.44144931 -0.09059804 -2.31819909 -2.41764198 C 2.86845386 4.67394640 1.47133570 -5.05185760 -0.57848031 -4.52659099 H 0.20964083 0.06536741 3.13757546 0.00297503 -0.00254563 0.00230988 C 1.45297513 1.34681875 2.86894099 10.24099902 -6.63309544 6.07595527 H 1.68846576 0.07078487 4.69781019 0.00168116 0.00676047 -0.00838361 H 0.24889254 1.22599462 4.72563202 0.00173552 -0.00288169 -0.00087328 C 2.79640878 0.21456242 3.27913633 0.59940793 13.37475680 5.89018988 C 4.35263676 1.68492541 2.89895951 -9.29859539 3.72787447 5.54083391 C 4.32448820 0.34738179 4.32458480 -23.15695660 10.44230910 -13.13036787 H 3.22750147 1.37755923 4.62149622 8.01500937 -7.23930203 -1.32826661 C 0.23212867 2.75294705 2.76067717 22.89720629 -4.70010111 -3.46080113 C 1.73081475 4.65969270 3.22998507 -11.67300370 -1.97879492 5.61396893 C 1.45283623 2.78353165 4.20072959 -10.33865186 -3.03781460 -14.06430502 C 0.01966169 4.35133996 4.02656572 11.79334242 2.16751081 -5.44402741 H 3.24339277 2.71156333 3.09596193 9.24386668 -7.89411925 -1.60909444 H 4.49470152 4.41624477 2.71620189 -0.00927033 -0.00916745 -0.00293463 H 4.62453943 2.75953148 4.39926371 0.00241009 0.00240104 -0.00494745 H 3.40455551 4.67883583 4.34816545 -0.00319645 -0.00847150 -0.00686701