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:Z:I:1:forces:R:3 energy=34553.56677115719 pbc="F T F" Pa -0.11114061 0.06855428 -0.19939714 91 -14278.01780851 -44207.68533397 -57972.11647244 Pa 1.63926851 1.29131310 0.21728449 91 53564.59701376 17592.68531043 -44994.36183113 Pa 1.37411710 0.01647840 1.76693269 91 34680.56400622 -40044.11492293 36952.15454185 Pa 0.01422862 1.26308427 1.23518192 91 -73967.14321147 66659.11494647 66014.32376172