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=-78.13598966870974 stress="-0.11881646976623425 0.022101082301909065 -0.045298931127984596 0.022101082301909065 0.05969889170087947 0.11405042250915275 -0.045298931127984596 0.11405042250915275 0.0407640199365304" free_energy=-78.13598966870974 pbc="F F F" O 0.32329336 0.04990507 0.03702947 -2.31238085 -3.28612888 -3.70504243 V 1.37111754 1.68723373 0.04684578 17.76649829 7.11998250 -29.39367988 V 1.43053312 0.28475322 1.48341465 19.27791393 -21.04194207 8.95271634 V 0.10989136 1.45587345 1.24267548 -39.43987699 6.27047201 9.51916637 H 3.06729228 0.28845948 0.10537101 -4.20803320 1.22494032 2.88806304 C 4.06385586 1.57720077 0.06761275 -1.04052418 2.68034749 -3.45483527 O 4.39743598 0.23673399 1.71527614 4.27645361 -4.89433206 2.78025989 V 3.24717822 1.28013645 1.77652831 4.86968869 12.25211174 -1.53738942 C 0.02642301 3.21401680 0.14801153 4.90356838 2.38012786 6.77405040 O 1.32795451 4.63088220 0.19851832 -3.17354348 0.37689789 4.36969701 V 1.32377323 2.75787668 1.79338723 12.44954345 15.80917165 8.21704997 C 0.18465162 4.50158503 1.52706568 2.19798499 -8.09013294 -7.09074970 H 3.23427080 2.98360631 0.42209066 -5.20299969 -1.34191624 3.62151273 H 4.21296234 4.72741461 0.03021176 -1.44871488 0.37996401 2.20576492 H 4.19331955 3.20558258 1.28427619 -2.45565979 1.10252636 3.09270626 V 2.93360566 4.69269072 1.46546017 0.87294248 -5.47838943 -8.05593006 V 0.27328374 0.13182881 3.21863911 0.98006911 1.74195014 12.82815623 H 1.12666427 1.73624620 3.00580421 -1.61301815 -6.47756092 -7.52586579 O 1.32386925 0.08110396 4.50106140 -4.73850757 0.81977398 -3.97862449 H 0.22414257 1.41334944 4.57420402 1.20542934 -3.06726112 -1.01366858 C 3.19771281 0.11434322 3.15108754 0.17983293 9.62490962 4.41148812 C 4.24079411 1.28715336 3.20457492 -5.09218538 -3.59533609 13.89469253 O 4.61429220 0.25941411 4.58692532 -1.36047964 1.72337933 -4.46282256 O 3.02429959 1.30346568 4.40932115 5.24392208 -5.63366548 -7.59256231 H 0.26379619 3.29840043 2.51455044 -5.15226157 3.60815649 0.67014771 O 1.15340633 4.69644747 3.43992430 -2.12302837 -2.53637376 6.75610562 C 1.68767146 3.21628421 4.47589181 2.38952744 8.07664202 -4.01572386 H 0.28677086 4.15025193 4.66501508 5.93264359 -0.35894866 -5.43600284 C 2.93759557 3.26196193 3.01200566 -5.50640095 -1.09622099 -4.71204602 V 4.25604020 4.62955176 3.21736712 2.32503022 -3.04218053 5.26538905 O 4.46930203 2.69350802 4.40788829 1.54245475 -2.05448237 -3.44160791 C 2.81819388 4.61641555 4.60187124 -1.54588859 -3.19648184 -0.83041507