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=-78.13598946046046 stress="-0.11881667337317195 0.0221009326461239 -0.04529886771128402 0.0221009326461239 0.05969831291219738 0.11405057830195861 -0.04529886771128402 0.11405057830195861 0.0407644457671125" free_energy=-78.13598946046046 pbc="F F F" O 0.32329336 0.04990507 0.03702947 -2.31239175 -3.28613163 -3.70502909 V 1.37111754 1.68723373 0.04684578 17.76650308 7.11999085 -29.39367498 V 1.43053312 0.28475322 1.48341465 19.27792034 -21.04193914 8.95271474 V 0.10989136 1.45587345 1.24267548 -39.43988393 6.27048165 9.51915416 H 3.06729228 0.28845948 0.10537101 -4.20803084 1.22493203 2.88805755 C 4.06385586 1.57720077 0.06761275 -1.04053017 2.68035048 -3.45483054 O 4.39743598 0.23673399 1.71527614 4.27644838 -4.89432864 2.78027199 V 3.24717822 1.28013645 1.77652831 4.86966454 12.25210606 -1.53741003 C 0.02642301 3.21401680 0.14801153 4.90357438 2.38010654 6.77406597 O 1.32795451 4.63088220 0.19851832 -3.17353964 0.37690359 4.36970000 V 1.32377323 2.75787668 1.79338723 12.44953536 15.80917582 8.21705415 C 0.18465162 4.50158503 1.52706568 2.19798418 -8.09013286 -7.09075127 H 3.23427080 2.98360631 0.42209066 -5.20298105 -1.34190462 3.62151843 H 4.21296234 4.72741461 0.03021176 -1.44871484 0.37996050 2.20576609 H 4.19331955 3.20558258 1.28427619 -2.45565174 1.10251696 3.09268480 V 2.93360566 4.69269072 1.46546017 0.87294254 -5.47837141 -8.05592138 V 0.27328374 0.13182881 3.21863911 0.98008081 1.74196103 12.82818136 H 1.12666427 1.73624620 3.00580421 -1.61302451 -6.47757395 -7.52589436 O 1.32386925 0.08110396 4.50106140 -4.73850898 0.81976439 -3.97863624 H 0.22414257 1.41334944 4.57420402 1.20541952 -3.06726251 -1.01367351 C 3.19771281 0.11434322 3.15108754 0.17984081 9.62490463 4.41150194 C 4.24079411 1.28715336 3.20457492 -5.09217991 -3.59534123 13.89470227 O 4.61429220 0.25941411 4.58692532 -1.36047986 1.72338042 -4.46282581 O 3.02429959 1.30346568 4.40932115 5.24392658 -5.63366645 -7.59256653 H 0.26379619 3.29840043 2.51455044 -5.15225816 3.60815101 0.67013928 O 1.15340633 4.69644747 3.43992430 -2.12304685 -2.53636871 6.75611281 C 1.68767146 3.21628421 4.47589181 2.38952646 8.07663925 -4.01571948 H 0.28677086 4.15025193 4.66501508 5.93265140 -0.35894723 -5.43600848 C 2.93759557 3.26196193 3.01200566 -5.50639810 -1.09623251 -4.71204983 V 4.25604020 4.62955176 3.21736712 2.32503491 -3.04214789 5.26538886 O 4.46930203 2.69350802 4.40788829 1.54245375 -2.05449814 -3.44160435 C 2.81819388 4.61641555 4.60187124 -1.54588672 -3.19647830 -0.83041853