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=-59.26127754067294 stress="-0.3305264471668463 -0.04776308674695069 -0.02425450253278635 -0.04776308674695069 -0.3068825479322257 0.016693937043660387 -0.02425450253278635 0.016693937043660387 -0.35244796935815664" free_energy=-59.26127754067294 pbc="F F F" Be 0.19019325 0.04506128 0.35220591 -4.39205865 0.58567838 -2.29809107 Be 1.63250256 1.60031152 0.05442580 -1.97626855 -4.73203487 -2.34509209 Be 1.35431870 0.13572127 1.55791531 5.65452202 -3.13974759 2.77289525 O 0.08501927 1.56603388 1.50693356 -3.77716484 -3.36152019 -5.88297198 O 3.16501753 0.14318160 0.33977081 -2.00685228 2.36006651 0.43826676 Be 4.49955875 1.54313966 0.25980354 1.91076237 -3.52889992 -4.05569934 O 4.61471157 0.27143892 1.40295338 2.32534684 -3.05109861 -3.03126702 Be 3.10338854 1.74759167 1.61018303 -3.40978356 -11.15844287 5.99843695 Be 0.18843096 3.17061300 0.05586261 -2.43285556 -3.38037342 0.36261978 Be 1.46863002 4.44630638 0.18378021 4.14191769 2.20865369 -1.70260238 O 1.64982991 2.74795387 1.36735496 -6.21719874 5.39362358 -1.17600289 Be 0.28095696 4.32464588 1.76008946 -5.57308990 0.33576582 -8.11876145 Be 2.87675974 2.82230465 0.28460712 3.95190577 8.48750252 -6.56546970 O 4.33144265 4.26772449 0.38493455 0.17558527 -1.53469440 -2.41090499 Be 4.22956938 2.83885520 1.53926819 9.14353743 9.29669749 5.85179715 O 3.40928166 4.59566688 1.62528982 -2.87035544 0.10411348 -0.50485972 Be 0.12033173 0.17828948 3.21182891 -5.61070624 -4.36796401 -3.25915526 O 1.29301824 1.23241985 3.07255377 1.10399747 2.48305520 3.83712650 Be 1.51129231 0.07216580 4.66420574 3.30622678 -0.92895824 -0.57987151 Be 0.15465081 1.45588739 4.45297513 -0.33016333 4.17433209 3.93401762 O 3.03727676 0.11903846 2.95827545 0.16279257 -1.99468211 1.80753059 O 4.45628233 1.36810690 3.12937675 4.52848595 2.16958409 -0.88189269 O 4.43197724 0.04861802 4.16893079 -0.75842038 -0.82313728 1.56213255 Be 3.24777190 1.77913633 4.35263676 -2.00173760 -9.81544583 9.13643932 Be 0.18492541 2.77235378 2.88323780 1.28137728 2.17187950 2.70753556 O 1.26192411 4.46490969 2.76260376 4.80678708 4.75082252 8.57831147 O 1.62263099 3.04530481 4.45206007 -1.70384225 -6.68479545 2.02620011 O 0.12593290 4.54041374 4.39901191 -2.04444262 0.33628863 1.27555096 O 2.97459454 2.70122014 3.23212867 -2.03276202 7.65775561 -7.78514340 O 4.25294705 4.26067717 3.17871475 2.71661248 1.05164358 -0.52058720 Be 4.72606896 2.96850990 4.62264421 0.12444739 2.03503600 -1.40612658 O 2.78353165 4.20072959 4.51229390 1.80339757 2.89929609 2.23563870