4 Lattice="3.0 0.0 0.0 0.0 3.0 0.0 0.0 0.0 3.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=14.977485384353539 stress="-33.93545379124488 0.9593724745891796 1.6381831875760646 0.9593724745891796 -32.37488783926732 3.389706197009726 1.6381831875760646 3.389706197009726 -34.08000449995056" pbc="F F F" P -0.09301634 0.18107110 -0.17174679 -8.92847460 -7.05840046 -9.53824118 P 1.63102478 1.59995250 0.26120756 11.02273492 14.31313640 -13.27233319 P 1.51193751 0.25226748 1.46431997 10.36714244 -16.78644839 12.34303898 P 0.04396501 1.57236142 1.70379337 -12.46140275 9.53171245 10.46753540