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=841.1729497967672 stress="-8.60048662550616 -0.011891086429216626 1.7819297782222074 -0.011891086429216626 -8.808731255992328 -0.19649892107163885 1.7819297782222074 -0.19649892107163885 -9.463586490024149" free_energy=841.1729497967672 pbc="F F F" O 0.48952575 0.01635763 0.04797327 -7.90230758 -44.94035510 -42.01242363 Zn 1.65944719 1.75900491 0.25685297 57.41922746 -25.04514764 -63.71652396 O 1.21574623 0.12784938 1.43372255 71.54567455 -176.42721431 -44.43479385 Zn 0.23666665 1.23656475 1.35025269 -165.78448434 107.19102279 39.71199837 Zn 2.70193606 0.01942903 0.29417082 69.38904633 -24.39555925 -58.53864718 O 4.43361406 1.49536538 0.03691384 12.72329598 -6.95135552 -28.61041563 Zn 4.20677130 0.07736569 1.72577322 92.47088141 -30.19717815 -83.39778196 Zn 3.14977756 1.59364432 1.77354104 38.58361089 -31.98884024 -140.62144013 O 0.03273964 2.83853616 0.29497883 -75.43282500 21.02475680 -23.33425103 Zn 1.29599801 4.31113270 0.29119256 50.16661068 103.99406139 -133.06845685 O 1.30691229 3.16188986 1.44564997 -74.03146920 -62.46822597 71.06820633 O 0.00795817 4.47823542 1.41664559 -77.10348633 17.86499041 3.72359242 Zn 2.73108817 3.19215061 0.16717744 35.70120266 -25.15000669 -77.35971239 O 4.62136222 4.25491735 0.16523617 14.00003932 20.01899366 -9.29290401 Zn 4.38290997 2.66422858 1.52488135 58.75282141 -2.47429328 -38.90601597 O 3.18360837 4.62919136 1.45061547 72.19268746 78.35430003 18.17580419 Zn 0.14592855 0.20359985 2.75068542 -87.56526874 -58.15040656 34.67668254 Zn 0.95425763 1.27163296 3.15154029 18.07225440 33.46096772 -41.80061775 O 1.28973682 0.29811016 4.57473240 -50.69146486 -61.64791625 120.83397779 O 0.05926218 1.36117434 4.73715536 -32.31883999 -8.80181736 78.88183568 O 3.02704010 0.20470050 2.77493780 -56.51166932 -111.12780052 72.58826246 Zn 4.62749873 1.49397598 2.83394335 59.64919419 15.19930599 9.02628328 O 4.66162860 0.21338862 4.36129912 19.09968240 -25.72804059 34.46848140 Zn 2.70918501 1.75219415 4.62370952 59.09089711 -24.08275451 75.22077373 Zn 0.07924967 2.78416794 3.19197730 -85.31898390 -15.14484266 -54.05377041 Zn 1.45714373 4.46177622 2.64096324 15.43442463 79.94846932 57.46981627 O 1.39707300 2.90938640 4.31573811 -14.50275428 53.67967033 73.44599456 O 0.27410067 4.32310949 4.27391271 -21.51528903 20.76814441 34.47344982 O 2.94615122 2.82501147 2.79250795 -57.92612015 113.09819848 67.56681038 O 4.76988087 4.67980802 2.89361598 19.66585223 27.07749284 -8.49234659 Zn 4.60114465 3.06147164 4.44011901 15.22494099 -2.93317154 29.96403515 Zn 2.74823169 4.34541179 4.30108794 27.42261863 45.97455198 26.34409696