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=3.8034063733400107 stress="-0.7043083800334909 -0.06909789881468371 -0.004791812443946543 -0.06909789881468371 -0.6509831196343079 -0.015509870221571957 -0.004791812443946543 -0.015509870221571957 -0.6631066921767405" free_energy=3.8034063733400107 pbc="F F F" Zn 0.05210001 0.26147517 0.00736779 -18.89716098 -13.46910217 -4.16831105 Zn 1.45548102 1.23594820 0.17858111 4.78986767 20.42989782 -5.96797182 O 1.40198082 0.26111147 1.53834367 4.57494245 -10.27260202 2.28888925 O 0.19736496 1.32128623 1.68540615 -8.28690214 3.51953033 -3.52272415 Zn 2.99965461 0.27820060 0.17621204 9.27629182 -13.27766865 -6.51960041 H 4.63215382 1.21035018 0.32398212 3.81129913 2.04573654 -0.04644908 H 4.37689326 0.11719846 1.77680686 7.33500214 -3.85888676 -5.85706399 O 3.09967038 1.47981939 1.56224969 -0.55484437 -0.65400018 -6.13275520 H 0.13236414 2.84934075 0.08348462 -2.79324503 0.16493558 -0.51208432 Zn 1.30772007 4.53790681 0.07493195 4.67102594 4.66684172 -5.48625491 H 1.63169046 3.05903268 1.37965623 2.46747925 -0.35741890 1.82415001 H 0.29740101 4.35584487 1.57730756 -3.17448771 0.67875619 3.70202211 H 3.18715027 2.51163197 0.28167765 1.50240076 0.86627451 1.75818941 Zn 4.38474348 4.42619644 0.22154021 3.01099588 2.30496351 -6.49393431 O 4.24650446 3.13311255 1.50743936 3.07543713 0.31611855 -4.12378676 O 2.94728550 4.71689546 1.30524035 -4.85854357 2.25010445 -1.36460697 O 0.15075815 0.34977964 2.96960858 -7.32143914 -8.19029740 -2.00034609 O 1.35847550 1.90838233 2.97839446 19.06855435 -4.38435660 2.58195187 H 1.06070873 0.17333891 4.53319976 -1.90778283 4.67831125 3.91940884 O 0.28115900 1.20937281 4.49264070 3.15032164 -4.93704037 6.81985361 Zn 3.04810421 0.11524669 2.86267039 -15.29508894 -9.23511113 3.04834080 Zn 4.28303776 1.72725014 2.72313037 10.01589264 6.61831095 4.24901054 H 4.24236599 0.23446333 4.26566576 1.79331710 0.65643661 5.50278437 H 3.21229964 1.30495033 4.59856702 3.18015273 0.52236599 2.81324491 Zn 0.23939028 2.63741907 2.95546021 -19.20785896 10.76088400 -1.64513073 H 1.96360610 4.48047546 3.32719692 -0.76070687 3.15031973 -2.18443532 Zn 1.47993658 3.12986364 4.77479266 6.03442966 -3.04503612 6.33193156 H 0.14223686 4.40692346 4.43951101 -3.28953471 3.76525812 -0.16743736 O 3.15839896 3.21468373 3.36711978 -4.12073165 -1.26022857 -0.49909257 Zn 4.37148185 4.50984486 2.79328005 3.05304562 5.59202797 4.32602687 O 4.38931481 2.50725681 4.54990507 0.59350646 -3.67345134 2.98731435 O 3.33715898 4.33657771 4.56398498 -0.93563547 3.62812638 4.53886657