16 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=16180.530189885483 stress="-64897.97901723167 16776.19793504646 -602.303807124983 16776.19793504646 -76156.43514049603 -4515.460619363046 -602.303807124983 -4515.460619363046 -63294.058441944726" pbc="F F F" Pa 0.13682723 -0.11713982 0.11965966 -1331.38773105 -1369.80362451 -1472.44335995 Pa 1.44301839 1.34126989 1.55677034 -14.60548565 3880.03787104 -2277.90744295 Pa 3.07426059 -0.07597289 0.04887244 105.41003063 -1379.77018352 -1086.10447217 Pa 4.19499776 1.96536912 1.06257919 8035.45300793 -9750.88360609 5985.29753095 Pa 0.10980151 3.07663882 0.05272043 -2047.68158064 -848.43692013 -2228.34101433 Pa 1.47868830 4.28667192 1.60698655 -102.02324693 6725.08824850 -2595.77914981 Pa 2.94506228 3.31200974 -0.00735204 -7085.09203369 6021.31739072 -10097.05499653 Pa 4.44911698 4.27619370 1.58925901 2644.05574001 4110.05418805 1606.31477086 Pa 0.04179504 0.02211502 3.02723603 -2331.34646046 -1958.34416064 1085.96462500 Pa 1.44359398 1.76206545 4.31220282 -2405.35329410 -4601.18730905 5792.63271611 Pa 2.75845959 0.01802081 2.93934923 2904.09164659 -3259.14538820 1862.15025212 Pa 4.45208809 1.72000395 4.27421808 1148.68470225 -1667.75692426 641.55006754 Pa -0.00298397 3.13916714 2.95550514 -5322.01612333 -747.03579293 1224.14416112 Pa 1.69422996 4.59803678 4.37285090 -11592.30461681 16258.12496447 13804.24372982 Pa 2.71678327 3.25834131 3.24477366 15588.00851148 -13393.49496962 -13575.78074216 Pa 4.57687107 4.25162374 4.47579709 1806.10693378 1981.23621617 1331.11332438