32 Lattice="40.80381774902344 0.0 0.0 0.0 40.80381774902344 0.0 0.0 0.0 40.80381774902344" Properties=species:S:1:pos:R:3:forces:R:3 energy=65.49571623233679 stress="-0.003920949297964807 0.00016432048007951073 -0.00011667306713600865 0.00016432048007951073 -0.003403518265118317 -0.0003069619264492167 -0.00011667306713600865 -0.0003069619264492167 -0.0037817018429968673" free_energy=65.49571623233679 pbc="F F F" O 20.28141312 20.49453787 20.49394983 -10.03031889 -8.41560207 -7.06077772 O 22.03385616 21.70205017 20.26718818 3.27088382 17.97162830 -8.46083126 O 21.71084453 20.26449034 21.99785768 3.18669596 -8.90729921 0.82506238 O 20.46597227 21.87484546 21.71614185 -4.33777278 12.34907824 22.32793801 O 23.02455376 20.36769904 20.47148869 1.18611534 -17.75681198 -0.71275579 O 24.71241972 21.66503373 20.28982730 6.99192870 0.97455743 -5.51322796 O 24.59710165 20.58755124 22.01405789 9.29923767 -15.52921152 -16.30433129 O 23.46949070 22.02237075 21.77027680 -22.33195221 -3.44445774 15.71716869 O 20.61151584 23.46335256 20.28026286 -2.67255229 -7.59666332 -12.06329254 O 22.03415759 24.76713924 20.52941080 -10.13249064 11.10933966 -17.80637647 O 21.82460625 23.28125611 21.79128939 12.11152644 -22.93515006 15.49249158 O 20.36682001 24.68062717 21.66786811 -3.94014094 6.15057137 5.79143350 O 23.47628911 23.46559660 20.64474947 -11.77291853 -6.07699052 -36.14789618 O 24.86920782 24.80085967 20.52611462 3.48548497 6.48035712 -1.86520053 O 24.59117337 23.40487807 21.83088806 37.60177703 -1.99943563 13.34976904 O 23.15478416 24.62505981 21.87053473 8.25131504 27.39410253 16.15598369 O 20.27856475 20.38163839 23.53646837 -4.75317951 -8.05590442 -8.86998368 O 21.80706676 21.67457856 23.31189585 9.97891799 19.51960611 -16.26414800 O 21.72691158 20.26802760 24.85587462 5.53495102 -3.21815953 1.37842638 O 20.33512883 21.64582597 24.84936238 -7.32188450 9.21943002 12.14798489 O 23.54330031 20.34675325 23.43425155 -8.82965435 -10.01355724 3.90124300 O 24.99023540 21.63079235 23.13734007 7.31931558 13.21992910 3.02321145 O 24.92679413 20.55809272 24.84327425 8.35233977 -2.66301402 4.45965561 O 23.14634564 21.81593353 24.95786725 -9.09976890 6.50795759 4.17237077 O 20.59500509 23.46805335 23.25274743 -15.69543877 -21.84583174 -22.80796170 O 22.03601519 24.71112461 23.42472283 -4.98489162 17.27732096 -9.76687510 O 21.57596987 23.55211893 24.82549649 5.54012487 -16.60820049 22.13582611 O 20.51326603 24.62960434 24.59823662 -15.40521630 19.22567653 7.37245627 O 23.35690456 23.36207978 23.24683120 -18.54415711 -17.98952319 -6.04621626 O 24.88759328 24.69441344 23.41933063 6.51812890 13.56558147 -11.97148118 O 24.60598821 23.40848292 24.57987658 16.96101946 -17.16409288 19.85554478 O 23.17924599 24.55831845 24.84550989 4.26257480 9.25476914 13.55478952