4 Lattice="1.5 0.0 0.0 0.0 1.5 0.0 0.0 0.0 1.5" Properties=species:S:1:pos:R:3:forces:R:3 energy=335.3466668067417 stress="-509.8100918620927 22.056350862605036 -370.3532400455766 22.056350862605036 -139.9729085495836 -79.67468793119816 -370.3532400455766 -79.67468793119816 -440.0060142638209" pbc="T T F" user01 0.07188492 0.19581920 0.14685009 -2128.43880725 -862.46524462 -2192.83425587 user01 1.01959405 0.92626233 0.20996341 -878.90179870 381.18837112 -1055.86621801 user01 0.51248733 0.34478850 0.56939542 2756.97674410 181.75822997 1956.72231982 user01 -0.04225341 0.77461451 0.70789336 250.36386185 299.51864353 1291.97815406