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=3.8034063856282874 stress="-0.7043082317890035 -0.06909787105235192 -0.004792197906202141 -0.06909787105235192 -0.6509828411252379 -0.015509763806903719 -0.004792197906202141 -0.015509763806903719 -0.6631072062270931" free_energy=3.8034063856282874 pbc="F F F" Zn 0.05210001 0.26147517 0.00736779 -18.89716188 -13.46909966 -4.16831030 Zn 1.45548102 1.23594820 0.17858111 4.78986031 20.42990293 -5.96796943 O 1.40198082 0.26111147 1.53834367 4.57494545 -10.27259536 2.28888918 O 0.19736496 1.32128623 1.68540615 -8.28690742 3.51953586 -3.52272639 Zn 2.99965461 0.27820060 0.17621204 9.27629351 -13.27767365 -6.51960798 H 4.63215382 1.21035018 0.32398212 3.81129694 2.04573807 -0.04644669 H 4.37689326 0.11719846 1.77680686 7.33500071 -3.85888637 -5.85706501 O 3.09967038 1.47981939 1.56224969 -0.55487387 -0.65397877 -6.13275931 H 0.13236414 2.84934075 0.08348462 -2.79324342 0.16493758 -0.51208929 Zn 1.30772007 4.53790681 0.07493195 4.67102286 4.66683997 -5.48626264 H 1.63169046 3.05903268 1.37965623 2.46747781 -0.35741879 1.82414671 H 0.29740101 4.35584487 1.57730756 -3.17448508 0.67875649 3.70202471 H 3.18715027 2.51163197 0.28167765 1.50239565 0.86627580 1.75816574 Zn 4.38474348 4.42619644 0.22154021 3.01099273 2.30495966 -6.49393162 O 4.24650446 3.13311255 1.50743936 3.07542950 0.31612028 -4.12378950 O 2.94728550 4.71689546 1.30524035 -4.85854313 2.25010465 -1.36460164 O 0.15075815 0.34977964 2.96960858 -7.32143873 -8.19029567 -2.00034935 O 1.35847550 1.90838233 2.97839446 19.06854531 -4.38432699 2.58195588 H 1.06070873 0.17333891 4.53319976 -1.90778553 4.67831533 3.91940767 O 0.28115900 1.20937281 4.49264070 3.15032011 -4.93703050 6.81985733 Zn 3.04810421 0.11524669 2.86267039 -15.29507909 -9.23513054 3.04835378 Zn 4.28303776 1.72725014 2.72313037 10.01592988 6.61829083 4.24902338 H 4.24236599 0.23446333 4.26566576 1.79331757 0.65643968 5.50278933 H 3.21229964 1.30495033 4.59856702 3.18015246 0.52236721 2.81324390 Zn 0.23939028 2.63741907 2.95546021 -19.20783116 10.76083929 -1.64513120 H 1.96360610 4.48047546 3.32719692 -0.76070406 3.15031980 -2.18443404 Zn 1.47993658 3.12986364 4.77479266 6.03443629 -3.04504122 6.33192434 H 0.14223686 4.40692346 4.43951101 -3.28953445 3.76525439 -0.16743970 O 3.15839896 3.21468373 3.36711978 -4.12073559 -1.26022999 -0.49909423 Zn 4.37148185 4.50984486 2.79328005 3.05304604 5.59202661 4.32603332 O 4.38931481 2.50725681 4.54990507 0.59350094 -3.67344609 2.98732589 O 3.33715898 4.33657771 4.56398498 -0.93564067 3.62812917 4.53886716