32 Lattice="5.704064475228446 0.0 0.0 0.0 5.704064475228446 0.0 0.0 0.0 5.704064475228446" Properties=species:S:1:pos:R:3:forces:R:3 energy=8453.880070117686 stress="-185.44218431858081 -1.8697592540149826 4.130366778959448 -1.8697592540149826 -184.1304172119508 0.0433653850461133 4.130366778959448 0.0433653850461133 -185.14650361470302" free_energy=8453.880070117686 pbc="F F F" Kr 0.04625088 0.03388450 0.03571114 -772.71417612 -780.20064600 -751.46964394 Kr 1.46686294 1.39839489 0.04222652 -225.91512244 469.44476532 -1497.20428926 Kr 1.44873854 0.01355497 1.43331820 -196.12179375 -1485.93057169 253.97174193 Kr 0.05554669 1.45447586 1.40104333 -1422.06017274 -332.28998750 241.72671190 Kr 2.80687135 0.05633990 0.05259191 509.07901782 -1182.96499034 -1184.31445169 Kr 4.30531800 1.47180993 0.03076479 716.43356780 66.41045416 -1063.76254660 Kr 4.28424713 0.05581767 1.36756379 887.68533687 -1037.91492893 262.99292312 Kr 2.83355869 1.44757189 1.47259614 390.44407971 -180.78811102 -517.35002005 Kr 0.00794162 2.80333356 0.00442103 -821.89278949 102.62475751 -1017.72910833 Kr 1.36468141 4.28153075 0.00405717 175.03118042 848.89753400 -948.54173490 Kr 1.46617158 2.83247525 1.44730695 -465.67596639 244.02867710 -158.25659714 Kr 0.01041762 4.23831743 1.40982764 -995.26314503 894.64230908 133.45615148 Kr 2.81293534 2.86448129 0.03912565 334.94244034 2.42842750 -1434.61039555 Kr 4.29553782 4.30708152 0.03302812 451.08389445 421.41852517 -421.98238993 Kr 4.26545751 2.81424623 1.47407792 1508.04116167 384.35281357 -372.41641479 Kr 2.80451848 4.22461537 1.44000149 515.29399873 1647.33286459 -477.80109099 Kr 0.04907061 0.02964458 2.88633739 -1023.09648521 -933.36183968 -214.32341127 Kr 1.46546159 1.42212816 2.81517934 -409.10486554 302.70966164 554.55672325 Kr 1.47077617 0.00018735 4.24947763 -350.52525075 -1057.18805300 1116.29048844 Kr 0.00322906 1.44522992 4.26435002 -720.39608468 42.13343618 907.95324060 Kr 2.83886442 0.05387885 2.86506796 223.87467207 -1799.37453343 -371.85023717 Kr 4.22316135 1.40920057 2.85756248 1547.16686696 188.12383455 45.20312804 Kr 4.26659563 0.05400723 4.23717955 787.80860360 -856.61312241 851.13801971 Kr 2.80921080 1.38579956 4.27111336 235.17072888 693.02141950 1390.67005884 Kr 0.03140553 2.81377257 2.79935911 -1101.07249528 325.14829678 428.20390194 Kr 1.47447335 4.33194309 2.80679231 -530.67860140 997.20702840 282.87210072 Kr 1.45208056 2.87366369 4.29722968 -320.37684313 -391.78002933 827.00439825 Kr 0.02889871 4.27456773 4.27151681 -553.21525781 517.77165966 418.27392029 Kr 2.90522907 2.87052630 2.80418126 -402.47350475 -82.67904049 965.71097048 Kr 4.25472101 4.32972821 2.85062966 832.93669162 861.09095823 73.08496591 Kr 4.31145949 2.85512847 4.29128918 656.06736110 -2.47453756 713.46177676 Kr 2.77673506 4.22909458 4.27230706 539.52295248 1114.77296846 965.04110994