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=975.832044594 stress="-34.272110052258434 -2.434896784021453 1.9370393085079392 -2.434896784021453 -32.25047182584094 -0.42171300945395496 1.9370393085079392 -0.42171300945395496 -30.007138617948307" pbc="F F F" W 0.06603388 0.00693356 0.16501753 -53.81575398 -30.27542044 -43.83766542 W 1.72580078 1.42866320 0.18883157 -115.34570604 145.09033192 -153.80410460 W 1.67827349 0.04313966 1.44832183 -102.16055535 -137.45620966 161.63322040 W 0.25980354 1.46667242 1.77143892 -251.41413795 -140.17900959 -198.59316952 W 2.90295338 0.10338854 0.24759167 185.30809780 -136.99211211 -157.76406580 W 4.61018303 1.61622966 -0.25336477 32.64286324 -68.27599989 -97.26130101 W 4.48702489 -0.05142115 1.68843096 140.47689951 -93.55217780 -144.00244844 W 3.17061300 1.79169807 1.43713992 -73.41040563 -76.95747289 68.32062861 W -0.05369362 3.03851086 0.10266614 -125.95720758 -140.56308123 -6.50456233 W 1.03148552 4.32929456 -0.21252151 74.67905387 136.81772463 -101.48181722 W 1.39476746 2.87993804 1.78095696 63.25788285 187.19279835 -207.66584266 W -0.16306022 4.76008946 1.37675974 -38.61850324 36.86201895 50.80268655 W 2.82230465 3.28460712 -0.24653483 -93.43289579 -109.88189005 -71.81890878 W 4.26772449 4.27715687 -0.25985109 128.36983168 124.18776691 -43.78748491 W 4.43198894 2.82743118 1.14174696 170.41447895 151.90056132 90.74844415 W 2.50002373 4.61893942 1.22956938 28.54470918 74.08536567 53.28693496 W -0.16114480 0.03926819 3.47349321 -61.47996918 -83.64630667 -41.80235966 W 1.30723022 1.62528982 3.03771254 257.33889038 -213.34189353 154.19138016 W 1.67828948 0.21182891 4.29301824 30.95990443 -68.35260435 99.45229307 W -0.26758015 1.72349302 4.51129231 -70.95918058 -33.02666317 157.67343395 W 3.16062697 0.16911338 2.80454100 -160.95071400 -85.76457557 77.99678480 W 4.62365747 1.22005192 3.09824448 184.05781647 131.27415506 -29.90855725 W 4.38487915 -0.05308154 4.54737131 25.36993203 -82.45053677 83.36038714 W 3.29838297 1.74404962 4.36810690 -135.33314652 -91.19039091 130.00724133 W 0.12937675 2.75818085 3.09119645 -314.20501372 218.36881646 -57.18881394 W 1.29640878 4.71456242 3.27913633 39.27758874 148.58369431 -105.71354134 W 1.35263676 3.18492541 4.33178173 116.81571368 -77.76733868 238.83347139 W -0.11676220 4.26192411 4.46490969 -168.43403905 85.12012335 95.86657548 W 2.76260376 3.12263099 3.04530481 51.14040950 -38.90789639 -158.53510514 W 4.45206007 4.62593290 2.84000708 68.80532054 63.64599956 -94.27737947 W 4.39901191 3.09730767 4.20122014 293.68241500 -50.84122066 53.57303063 W 3.23212867 4.25294705 4.26067717 -125.62457924 256.29344386 198.20061482