32 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=444.066203448431 stress="-0.013099294311889371 -0.00018662626553859503 0.00026995318170723473 -0.00018662626553859503 -0.012752704215097697 -1.8619871381409458e-05 0.00026995318170723473 -1.8619871381409458e-05 -0.013419248376713409" free_energy=444.066203448431 pbc="F F F" W 21.12033173 21.17828948 21.21182891 -18.75541598 -28.23640191 -19.76969442 W 22.29301824 22.23241985 21.07255377 17.24514943 -12.18932449 -44.56629531 W 22.65538088 21.01258782 22.66911338 0.89587315 -44.11661466 1.67506974 W 20.80454100 22.62365747 22.43126264 -57.79639022 -11.03888979 2.76790723 W 24.16200459 20.84681875 20.86894099 -12.30745323 -20.67857143 -27.41672768 W 25.54737131 22.53238783 21.24404962 24.71746411 18.12356845 -23.13238694 W 25.36810690 21.12937675 22.05408094 26.45732323 -28.08978707 9.98595617 W 24.25385053 22.29640878 22.71456242 8.90342269 -4.87504881 1.08024642 W 21.27913633 23.85263676 21.18492541 -28.62660895 8.81483622 -39.63530581 W 22.29052962 25.38323780 20.76192411 6.09625457 22.03967291 -21.46903480 W 22.46490969 23.76260376 22.66315844 15.50700197 14.73843916 -3.03225522 W 21.04530481 25.45206007 22.36010376 -21.05095466 30.36863047 4.30973476 W 23.84000708 23.84072184 20.91812645 7.58255167 -0.89360611 -32.47161084 W 25.20122014 25.73212867 20.75294705 9.31653099 8.62434340 -11.62573031 W 25.26067717 24.36040282 22.69104769 40.17186201 -3.48273960 -23.76930932 W 23.96850990 25.45283623 22.42462610 -9.95000869 39.44771485 -19.48281408 W 20.70072959 21.01229390 23.84628414 -13.77464976 -17.72801736 7.30084684 W 22.32901455 22.74339277 23.71156333 -1.25423575 -7.66223037 22.44516112 W 22.41738082 21.15093924 25.64803915 -16.44986124 -18.61535604 17.92798831 W 20.76416454 22.59902992 25.53806039 -13.51678953 -2.89979530 15.78944598 W 23.80138055 21.26599513 24.29869701 4.13574559 -36.59180053 -2.19812194 W 25.55957798 22.62973983 24.12952792 37.75212534 -6.37510326 -4.45772938 W 25.53099333 21.19045800 25.57166715 19.95965747 -18.06204724 12.41367618 W 23.92588762 22.27941049 25.67379638 -3.32603901 10.68196800 35.15227705 W 20.90411058 23.95742157 23.87252202 -43.06720655 15.88057087 20.30646313 W 22.53320948 25.44057204 24.14165705 -18.39369666 41.30516088 -3.43745406 W 22.55646809 24.03502127 25.66980798 -12.32968102 -10.26403698 37.09399478 W 20.96427615 25.52184289 25.65019543 -11.14134502 8.99625884 7.94779127 W 24.13350600 24.37093977 24.01382064 -6.48101636 -8.13846084 -0.33289250 W 25.53480345 25.53310309 24.08849650 40.79008187 38.04208933 2.65805353 W 25.34472026 23.96070040 25.49928290 30.54754348 -9.33891197 36.47796173 W 23.99119406 25.22557373 25.40977949 -1.85723492 32.21349038 41.46478836