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=13.877631767004345 stress="-1.8815096535978089 0.19063647010127185 -0.8792605327985602 0.19063647010127185 -1.0593827205846014 0.04843272635623886 -0.8792605327985602 0.04843272635623886 -1.9530789722725135" pbc="T F T" Ne -0.29703668 0.22083292 -0.21015034 19.66378999 -13.48527652 22.43211649 Ne 1.45167428 1.42299150 -0.09301634 3.43345675 11.35388036 14.29309380 Ne 1.68107110 0.13102478 1.59995250 -14.87872245 -8.83641168 -20.94689853 Ne 0.26120756 1.51193751 1.75226748 -8.21852429 10.96780784 -15.77831177