16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-21.51926991593989 stress="0.0006679852593041048 0.00017448837333346444 7.596030793619843e-06 0.00017448837333346444 0.0005039582134184655 -7.793910111771834e-06 7.596030793619843e-06 -7.793910111771834e-06 0.0002834201575755106" free_energy=-21.51926991593989 pbc="F F F" O 20.85281438 20.81458865 20.90488908 -0.04922428 -0.02175865 -0.01890473 H 22.54620175 22.89511797 22.72580078 -1.23016159 1.28710777 3.03876203 O 24.02433008 21.31412139 21.11989048 0.08373276 -0.28249220 0.85564103 C 25.54313966 22.44832183 22.75980354 -2.45241789 -1.43727829 1.66883479 H 21.14496190 24.48326783 20.97550715 -0.01083152 -0.01638193 0.00294541 C 22.60338854 25.55213267 22.73384050 2.04648945 -0.22771115 0.21631830 H 23.88106935 23.69961036 21.03439620 0.00723235 0.04327457 -0.03841092 V 25.44857885 25.68843096 22.70300083 -3.08581288 -1.11183595 -1.28045983 C 21.29169807 20.96863002 23.94630638 7.85754986 3.33620987 3.51670027 V 22.53851086 22.64982991 25.24795387 -0.90434888 3.38866295 -11.60799483 V 23.82929456 20.78747849 23.89476746 -2.26494693 4.18082125 -1.70905865 O 25.24804494 22.78095696 25.08282673 -2.05964784 0.86623511 -0.23052356 C 21.26008946 23.87675974 23.82230465 4.72395367 -3.38787674 1.70620610 H 22.87580358 25.04987395 25.12036125 1.06930807 -2.21115781 0.25693309 O 23.96208228 23.57193064 23.93198894 -0.65046491 -0.03783726 2.87846137 V 25.32743118 25.29546282 25.09264401 -3.08040945 -4.36798152 0.74455013