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=975.8320445942079 stress="-0.05239148335404802 -0.0037222060192492424 0.002961135527782951 -0.0037222060192492424 -0.049301022179473256 -0.0006446690933619403 0.002961135527782951 -0.0006446690933619403 -0.045871657770930094" free_energy=975.8320445942079 pbc="F F F" W 21.06603388 21.00693356 21.16501753 -53.81575398 -30.27542044 -43.83766542 W 22.72580078 22.42866320 21.18883157 -115.34570604 145.09033192 -153.80410460 W 22.67827349 21.04313966 22.44832183 -102.16055535 -137.45620966 161.63322040 W 21.25980354 22.46667242 22.77143892 -251.41413795 -140.17900959 -198.59316952 W 23.90295338 21.10338854 21.24759167 185.30809780 -136.99211211 -157.76406580 W 25.61018303 22.61622966 20.74663523 32.64286324 -68.27599989 -97.26130101 W 25.48702489 20.94857885 22.68843096 140.47689951 -93.55217780 -144.00244844 W 24.17061300 22.79169807 22.43713992 -73.41040563 -76.95747289 68.32062861 W 20.94630638 24.03851086 21.10266614 -125.95720758 -140.56308123 -6.50456233 W 22.03148552 25.32929456 20.78747849 74.67905387 136.81772463 -101.48181722 W 22.39476746 23.87993804 22.78095696 63.25788285 187.19279835 -207.66584266 W 20.83693978 25.76008946 22.37675974 -38.61850324 36.86201895 50.80268655 W 23.82230465 24.28460712 20.75346517 -93.43289579 -109.88189005 -71.81890878 W 25.26772449 25.27715687 20.74014891 128.36983168 124.18776691 -43.78748491 W 25.43198894 23.82743118 22.14174696 170.41447895 151.90056132 90.74844415 W 23.50002373 25.61893942 22.22956938 28.54470918 74.08536567 53.28693496 W 20.83885520 21.03926819 24.47349321 -61.47996918 -83.64630667 -41.80235966 W 22.30723022 22.62528982 24.03771254 257.33889038 -213.34189353 154.19138016 W 22.67828948 21.21182891 25.29301824 30.95990443 -68.35260435 99.45229307 W 20.73241985 22.72349302 25.51129231 -70.95918058 -33.02666317 157.67343395 W 24.16062697 21.16911338 23.80454100 -160.95071400 -85.76457557 77.99678480 W 25.62365747 22.22005192 24.09824448 184.05781647 131.27415506 -29.90855725 W 25.38487915 20.94691846 25.54737131 25.36993203 -82.45053677 83.36038714 W 24.29838297 22.74404962 25.36810690 -135.33314652 -91.19039091 130.00724133 W 21.12937675 23.75818085 24.09119645 -314.20501372 218.36881646 -57.18881394 W 22.29640878 25.71456242 24.27913633 39.27758874 148.58369431 -105.71354134 W 22.35263676 24.18492541 25.33178173 116.81571368 -77.76733868 238.83347139 W 20.88323780 25.26192411 25.46490969 -168.43403905 85.12012335 95.86657548 W 23.76260376 24.12263099 24.04530481 51.14040950 -38.90789639 -158.53510514 W 25.45206007 25.62593290 23.84000708 68.80532054 63.64599956 -94.27737947 W 25.39901191 24.09730767 25.20122014 293.68241500 -50.84122066 53.57303063 W 24.23212867 25.25294705 25.26067717 -125.62457924 256.29344386 198.20061482