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=25696.18408540812 stress="-94598.59227537524 -24835.69068937576 -10922.586872067943 -24835.69068937576 -129792.6283886565 31743.894810462843 -10922.586872067943 31743.894810462843 -88980.56269183605" pbc="F F F" Pr -0.05751843 0.28915599 0.04127681 -48032.84050692 -29112.06507977 -34526.42251222 Pr 1.66990131 1.29771635 0.19765233 43044.33053133 67290.02440018 -37111.47306161 Pr 1.50790463 -0.28598418 1.28127968 12849.00646680 -58178.90994060 48174.98934427 Pr -0.07390860 1.71236577 1.53498621 -7860.49649121 20000.95062019 23462.90622955