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=596.0776022327747 stress="-3052.4681996359704 -560.6643920561651 -678.7896771225667 -560.6643920561651 -2811.42089351917 -1322.1606821102655 -678.7896771225667 -1322.1606821102655 -2644.5618718877736" pbc="F F F" Md -0.11300950 -0.07755732 -0.17661794 -13.21644947 -22.35655914 -24.64611242 Md 1.74206864 1.49192436 1.23994926 62.57615677 -257.10329180 155.15750382 Md 3.12568510 -0.13071530 -0.05091394 -15.89651274 -130.18820219 -114.85680977 Md 4.66010262 1.25162811 1.29680080 125.10478143 38.39800826 54.07143370 Md 0.16312152 2.75291764 0.19498043 -306.65845882 93.05872209 -213.47502103 Md 1.26072179 4.70352792 1.14939919 31.39415500 143.73816571 43.84544320 Md 3.19148261 3.08331035 0.06500635 -514.39420607 -485.61016425 -751.28343247 Md 4.37322540 4.24784660 1.34529448 670.19632211 642.47839959 553.43217274 Md -0.11901139 0.08771469 2.65700869 -32.18891196 -24.23131172 14.12397616 Md 1.57544766 1.37533207 4.43285145 -239.39386803 161.28735019 252.08519169 Md 3.05430318 0.19087381 3.19522226 207.21529806 -268.30214588 -180.55851865 Md 4.71526654 1.85147308 4.28996914 54.66773409 6.66221842 41.55021416 Md -0.26214083 3.18865628 3.33888765 -228.42234489 -125.31332988 -104.06239830 Md 1.53665625 4.35791323 4.21393936 20.95329213 338.63212346 324.95447698 Md 2.76110233 3.08200499 2.78441696 163.18066034 -143.47437867 -72.14603652 Md 4.69468526 4.61833537 4.13064904 14.88235203 32.32439581 21.80791670