16 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=19285.963519651163 stress="-0.9607881496386176 -0.5277077731113605 -0.18032601223103267 -0.5277077731113605 -1.0673183446100034 -0.1273941645810648 -0.18032601223103267 -0.1273941645810648 -1.2519519643473436" pbc="F F F" Pr 20.83532339 21.28247263 20.87727471 -4597.30708408 -3273.16791427 -4587.59156728 Pr 22.29066838 22.25173197 22.32565909 5222.25654579 3715.26637322 2085.36250642 Pr 24.32710872 20.99857572 21.41166844 -2943.00432330 -6036.55560488 -4598.71636935 Pr 25.58129300 22.58049821 22.43351297 7360.22356727 4017.14719116 651.70700573 Pr 21.13173355 24.18016279 21.06191632 -5090.59738034 -3653.55059781 -7009.86349074 Pr 22.20849571 25.38348155 22.60017630 13387.30262365 16344.67450480 -8073.29529434 Pr 24.08834765 24.13397516 20.70767037 -3087.21786920 -3024.71108756 -4624.41337419 Pr 25.28728592 25.39860656 22.20400290 3889.42194779 4513.98490414 3058.36474871 Pr 21.16054315 21.27995258 24.19051661 -4251.79552569 -4095.59761283 1043.71996534 Pr 22.63801886 22.75016513 25.33256830 -1277.76260166 -659.61922969 7380.56882953 Pr 24.25764921 21.23258081 24.09196916 -3764.33005105 -9236.11925679 -4244.23890694 Pr 25.25005500 22.69103694 25.44302949 8040.09755009 3353.48737318 9654.08216876 Pr 21.17962268 24.23143435 24.02134670 -14343.74214537 -12374.23736707 9766.22950834 Pr 22.37523118 25.75652156 25.30731473 2528.62044155 3764.73801652 3542.96020937 Pr 24.04075202 23.83341512 23.82527763 -1276.29511310 6294.61732773 -4220.39649871 Pr 25.68784037 25.60695025 25.46368734 204.12941765 349.64298013 175.52055937