32 Lattice="64.3125 0.0 0.0 0.0 64.3125 0.0 0.0 0.0 64.3125" Properties=species:S:1:pos:R:3:forces:R:3 energy=7.9005051507072634 stress="-8.77054529347622e-05 1.1045400240859549e-06 -3.296430315527226e-06 1.1045400240859549e-06 -8.644386256539139e-05 -2.3360165954570127e-06 -3.296430315527226e-06 -2.3360165954570127e-06 -8.911091708598364e-05" free_energy=7.9005051507072634 pbc="F F F" O 32.03575425 32.24887900 32.24829096 -0.22331696 -0.30970877 -0.32883609 O 34.62779308 34.29598709 32.02152930 -0.11139612 0.15544700 -0.34250168 O 34.27670496 32.01883147 34.59821330 0.13674553 -0.49127024 -0.15711713 O 31.97135651 34.46878238 34.31007877 -0.40107552 0.09464229 0.03043558 O 36.66898617 32.12204016 32.32507826 -0.02778681 -0.52085401 -0.27474592 O 39.10107607 33.97975494 32.04416843 0.35051159 0.23078596 -0.39143610 O 38.87023016 32.34189236 34.60799481 0.49636459 -0.84960867 -0.40090887 O 36.90302342 34.61630767 34.57550008 -0.33082937 -0.26345749 -0.13659905 O 32.38091171 36.89688528 32.03460399 -0.36235497 -0.19151869 -0.50679535 O 34.62809451 39.04026775 32.28375193 -0.10694468 0.54350008 -0.58457890 O 34.48519430 36.71478882 34.35502161 -0.04804585 -0.24527780 -0.00549096 O 32.12116114 38.95375568 34.26180503 -0.37679085 0.56690748 0.03310611 O 36.90982182 36.89912932 32.39909059 -0.13050806 -0.35617988 -1.02911100 O 39.14233633 39.07398818 32.28045575 0.29519389 0.35870600 -0.27123241 O 38.86430188 36.83841078 34.42482498 0.98839274 -0.20070033 0.08122639 O 36.58831687 38.89818832 34.46447165 0.18019695 0.90482954 0.22530229 O 32.03290588 32.13597951 36.80274939 -0.52255326 -0.37237508 -0.08864212 O 34.32253321 34.26851548 36.54175953 0.11951915 0.25143837 0.21306903 O 34.32084850 32.02408916 38.89410948 0.16185538 -0.39253757 0.35241716 O 32.08946995 34.23976289 39.12249089 -0.28600344 0.22103437 0.29888867 O 36.97683302 32.10109438 36.85944100 -0.31321271 -0.40114802 0.18464071 O 39.26336391 34.22472927 36.57087278 0.54974548 0.52820691 0.46991448 O 39.19992264 32.32532269 39.11640276 0.18094214 -0.14410244 0.31829106 O 36.33136563 34.65882734 39.23099576 0.15396024 -0.15003109 0.29403708 O 32.34934621 36.90158606 36.41228724 -0.57300486 -0.18794494 0.35449004 O 34.62995211 38.98425312 36.85825555 -0.19987919 0.67882265 -0.21086284 O 34.27162875 36.98565164 39.09862500 0.05207611 -0.59090382 0.43090294 O 32.26760716 38.90273284 39.10549525 -0.59847892 0.52284856 0.21682023 O 36.79043728 36.79561249 36.67967557 -0.14810923 -0.24688024 0.20913037 O 39.16072179 38.96754194 36.54841409 0.34529800 0.51236482 0.11103333 O 38.87911672 36.84201564 38.85300509 0.52891222 -0.21087663 0.42320267 O 36.61277871 38.83144696 39.11863840 0.22057680 0.55584165 0.48195027