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=78333.5475849863 stress="-14270.25033991457 5485.796696967847 3316.0881669078185 5485.796696967847 -11718.960749195572 1373.4853409570087 3316.0881669078185 1373.4853409570087 -9386.42133734474" pbc="F T F" Rf 0.21027040 -0.29142472 0.14532204 -227088.50254131 207905.68191997 -70682.48365647 Rf 1.20366455 1.65904656 0.18630321 329657.63346256 -176886.89415280 -161774.66884670 Rf 1.27268544 -0.11358460 1.36329907 52480.15429382 25275.96351701 69035.18180102 Rf 0.19697729 1.35412885 1.22216517 -155049.28521507 -56294.75128418 163421.97070215