108 Lattice="11.452447954419846 0.0 0.0 0.0 11.452447954419846 0.0 0.0 0.0 11.452447954419846" Properties=species:S:1:pos:R:3:forces:R:3 energy=-764.1934600894651 stress="-0.02466310820127598 -0.0014537592361579875 0.0011611430635603242 -0.0014537592361579875 -0.022773338229849352 0.0007394096512987936 0.0011611430635603242 0.0007394096512987936 -0.020517311211153008" free_energy=-764.1934600894651 pbc="F F F" Re 0.03291957 0.00654070 0.00498827 0.79940473 0.73729687 0.66242944 W 1.93549362 1.92762420 0.02282393 -0.47355431 -0.15967379 -0.75856412 W 1.91945445 0.01127830 1.87872782 -0.36660959 -0.48402771 0.22049532 Re 0.01001842 1.93910496 1.87206149 -0.38871659 -0.77414259 0.17008955 Re 3.80676931 0.04224891 0.02467290 0.33073099 -0.31013925 -0.34278858 W 5.73345254 1.91718978 0.03999738 -0.16483970 -0.40550394 -0.42625177 W 5.71181907 0.01880220 1.94343517 1.16063181 -1.06294640 -1.61861234 W 3.82158727 1.88004571 1.90513379 0.30368166 0.85883356 0.07680041 W 7.61604645 0.02170991 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5.72558428 9.56414428 3.80188872 0.39657785 0.35533330 0.51820917 Re 5.69388596 7.62728259 5.75362460 1.64642954 0.70216661 -0.95549317 W 3.82179724 9.55748401 5.75571681 -0.28686828 0.53195684 -0.15672829 Re 7.60868986 7.64858251 3.78746144 0.21564384 -0.61056145 1.70485056 W 9.53047481 9.55529434 3.78723511 0.90207636 0.00064455 0.82018017 Re 9.57451199 7.66789711 5.76139943 -0.30123709 -0.55806207 -0.81215335 Re 7.65030017 9.56376480 5.71711431 -0.44851717 -0.11244340 0.09332416 W 0.02014743 0.02463795 7.64877326 -0.01779536 0.52051711 -0.00352914 Re 1.91420238 1.91380393 7.66181174 0.68041703 -0.37440648 -0.88606342 W 1.91101184 0.01954701 9.51827068 -0.42804728 0.08612129 0.38029076 W 0.03912614 1.94365959 9.57688410 -0.20633949 -0.61141586 -0.11660418 Re 3.79894631 0.01577379 7.65858787 -0.14722492 -0.48204180 -0.37264210 Re 5.72730973 1.89611862 7.64344296 -0.46586314 0.50168411 0.36691299 W 5.76065113 0.03632996 9.56203116 -0.65097374 -0.49514007 0.35454943 Re 3.80058842 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