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=41309.55594698655 stress="-2.1854085120717004 -0.44977051299656756 -0.4314717570074933 -0.44977051299656756 -2.247646525733148 -0.09088269770465894 -0.4314717570074933 -0.09088269770465894 -2.5462419115348514" pbc="F F F"
Ba      21.15569519      20.89152347      20.95625491   -4730.64972117   -1306.48500193   -2405.80626571 
Ba      22.76845365      22.43256865      22.58972426  -10712.92879061    5472.11952649    6762.02155474 
Ba      23.73017696      20.98792116      21.00385152    8921.03629490   -9159.89540992   -9955.60647831 
Ba      25.74566581      22.77642377      22.37675748    8011.95919773   -4916.25183284    1756.48746464 
Ba      20.89916310      24.22337938      21.24934237  -17084.76522874  -13819.57352364  -16779.46361531 
Ba      22.24574113      25.45483274      22.53068862   15037.08812490   20856.80130312   11888.65962687 
Ba      23.88302957      23.84442536      21.17091975    3384.26362715   11287.74126456  -19091.59403520 
Ba      25.32567919      25.53209935      22.48051973   10229.63111650   12819.60173401   -8696.98094495 
Ba      20.97707430      21.27861409      23.70224922   -8672.91702594  -10780.78360672    4430.89921682 
Ba      22.26456712      22.74041959      25.74866818    7713.00773583   -6944.37460910   13505.25924890 
Ba      24.00355292      20.87700927      23.87888413    5665.33608297   -9570.28594206    6604.29249325 
Ba      25.50683392      22.54825179      25.46787082    3013.79769420   -3203.11561208    3145.71612199 
Ba      21.11468103      23.75953013      24.01393226  -13424.77671857   10809.83556979   -4788.64338806 
Ba      22.72699235      25.74732680      25.49147032   -5227.17847366    3986.23258963    3043.27420439 
Ba      24.16936209      24.23073760      24.01291827  -21380.20348386  -21600.49834392  -12846.85655970 
Ba      25.28571958      25.26252696      25.60269921   19257.29956836   16068.93189460   23428.34135563