32
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=3069345.0709499 stress="-165.47096325284951 -15.293906430623212 -6.826661321172628 -15.293906430623212 -180.85487922174988 -21.555958667308424 -6.826661321172628 -21.555958667308424 -154.38083793676265" free_energy=3069345.0709499 pbc="F F F"
Ba      21.01886020      20.74838135      21.23839520 -219942.55623029  -96653.90786830 -227926.12984950
Ba      22.71198562      22.76741370      21.19307059  -94402.96459665 -696081.44410332 -801293.64284870
Ba      22.26703360      21.25549943      22.49459105  492490.93141993    4729.96795556 -266912.49520439
Ba      20.74024077      22.72577782      22.69035129 -198704.64550546 -611627.39405008 -582152.96119235
Ba      24.05518092      21.24411614      20.96252628 -216801.14350269 -145438.23150549 -163001.71329501
Ba      25.48733029      22.53188582      20.98769390  211484.22856113   85310.74197425  -71665.05997751
Ba      25.45139602      20.78085477      22.18247014  181763.39122075 -121413.89236976  118884.42638247
Ba      24.31581896      22.61922235      22.78207152  256304.87652082  708251.82364684 -688686.08099493
Ba      21.16496572      24.09636545      20.97437975 -355918.77154964 -225371.26745115 -156441.15564785
Ba      22.56488701      25.25955339      21.16061424  152804.53898245  432007.21167622 -807309.23821430
Ba      22.81953134      23.93992591      22.39540389 -200816.73843711  283843.86933815  899891.79224318
Ba      21.27756747      25.53822893      22.37813981 -344982.30067882  192851.53192625  343090.52188074
Ba      24.27818949      24.16883339      21.04469073 -386572.86580825 -710738.50938108 -371108.65663727
Ba      25.45044332      25.40657119      21.18742020  683682.54044090  638920.12287516  -50017.42421623
Ba      25.70292632      24.11273634      22.87377847  298492.72526672 -474210.42159447 -415001.56152708
Ba      23.88416790      25.41289526      22.37652317  333751.60629835  564897.74884638  432668.02310079
Ba      21.17281479      20.75991553      23.79450217 -347988.81946880 -187031.48278667  391463.61977527
Ba      22.68598595      22.60238741      23.79217407 -203181.24554679  -66797.60107846   67355.83012521
Ba      22.71022075      20.84731053      25.60574281   64655.38803110  -94613.45099053   33059.82981272
Ba      21.42232064      22.37158654      25.45289376 -437449.96347606 -287607.14815521   99148.79048945
Ba      24.09687044      21.29001949      23.79180699  -63919.56832504 -964250.43619514  610942.17125195
Ba      25.76729681      22.49687414      24.29080669  247202.40472451   -2794.45233418 -814223.32139330
Ba      25.54433128      21.17751140      25.41165362  -40242.37344548 -518554.55247034  442045.55251492
Ba      24.16920080      22.90800609      25.61659898  -93144.47764876 -698698.45861264  310009.62439899
Ba      20.97035278      23.97017283      23.83209289   28780.48394054  594031.27367318  523399.02219679
Ba      22.79724103      25.45216389      24.22947203 -2249182.58126892 1099040.72145492 -1446480.17110865
Ba      22.63142363      23.67377397      25.31426185 -385391.61004052  429674.43700902  355073.87666474
Ba      21.36057555      25.05827156      25.49040671 -255475.42183222  194493.98851310  199069.10570662
Ba      23.92412733      24.27265772      24.20059559  960119.01037868 -1592949.37143310 -536326.48011392
Ba      25.24176248      25.41473877      23.92149532  342637.76437215  900221.62344914  322269.20104409
Ba      25.66546264      23.76260280      25.48697439  631728.99832370  823470.11821823  423362.26998127
Ba      23.87457302      25.56351600      25.41754575 1208219.15887976  543086.84182352 1826812.43465180