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=3069345.0709499107 stress="-12259412.725477178 -1133094.9396320148 -505773.68396308087 -1133094.9396320148 -13399176.291781042 -1597037.8657435467 -505773.68396308087 -1597037.8657435467 -11437767.521058936" pbc="F F F" Ba 0.01886020 -0.25161865 0.23839520 -219942.55623029 -96653.90786830 -227926.12984950 Ba 1.71198562 1.76741370 0.19307059 -94402.96459665 -696081.44410332 -801293.64284870 Ba 1.26703360 0.25549943 1.49459105 492490.93141993 4729.96795556 -266912.49520439 Ba -0.25975923 1.72577782 1.69035129 -198704.64550546 -611627.39405008 -582152.96119236 Ba 3.05518092 0.24411614 -0.03747372 -216801.14350269 -145438.23150549 -163001.71329501 Ba 4.48733029 1.53188582 -0.01230610 211484.22856113 85310.74197425 -71665.05997751 Ba 4.45139602 -0.21914523 1.18247014 181763.39122074 -121413.89236976 118884.42638247 Ba 3.31581896 1.61922235 1.78207152 256304.87652082 708251.82364684 -688686.08099493 Ba 0.16496572 3.09636545 -0.02562025 -355918.77154963 -225371.26745115 -156441.15564785 Ba 1.56488701 4.25955339 0.16061424 152804.53898244 432007.21167622 -807309.23821430 Ba 1.81953134 2.93992591 1.39540389 -200816.73843711 283843.86933815 899891.79224319 Ba 0.27756747 4.53822893 1.37813981 -344982.30067882 192851.53192625 343090.52188073 Ba 3.27818949 3.16883339 0.04469073 -386572.86580824 -710738.50938107 -371108.65663726 Ba 4.45044332 4.40657119 0.18742020 683682.54044090 638920.12287515 -50017.42421623 Ba 4.70292632 3.11273634 1.87377847 298492.72526673 -474210.42159448 -415001.56152709 Ba 2.88416790 4.41289526 1.37652317 333751.60629836 564897.74884638 432668.02310079 Ba 0.17281479 -0.24008447 2.79450217 -347988.81946880 -187031.48278667 391463.61977527 Ba 1.68598595 1.60238741 2.79217407 -203181.24554679 -66797.60107846 67355.83012521 Ba 1.71022075 -0.15268947 4.60574281 64655.38803110 -94613.45099053 33059.82981272 Ba 0.42232064 1.37158654 4.45289376 -437449.96347607 -287607.14815522 99148.79048945 Ba 3.09687044 0.29001949 2.79180699 -63919.56832504 -964250.43619514 610942.17125195 Ba 4.76729681 1.49687414 3.29080669 247202.40472452 -2794.45233418 -814223.32139331 Ba 4.54433128 0.17751140 4.41165362 -40242.37344548 -518554.55247034 442045.55251493 Ba 3.16920080 1.90800609 4.61659898 -93144.47764875 -698698.45861265 310009.62439899 Ba -0.02964722 2.97017283 2.83209289 28780.48394054 594031.27367319 523399.02219679 Ba 1.79724103 4.45216389 3.22947203 -2249182.58126895 1099040.72145493 -1446480.17110867 Ba 1.63142363 2.67377397 4.31426185 -385391.61004053 429674.43700903 355073.87666474 Ba 0.36057555 4.05827156 4.49040671 -255475.42183221 194493.98851309 199069.10570662 Ba 2.92412733 3.27265772 3.20059559 960119.01037869 -1592949.37143311 -536326.48011392 Ba 4.24176248 4.41473877 2.92149532 342637.76437214 900221.62344915 322269.20104410 Ba 4.66546264 2.76260280 4.48697439 631728.99832370 823470.11821824 423362.26998128 Ba 2.87457302 4.56351600 4.41754575 1208219.15887978 543086.84182352 1826812.43465182