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=28761.106889221115 pbc="T F F" K -0.23155200 -0.11194738 0.07089064 19 38228.12632289 -48262.27321336 -23796.09833259 K 1.66537341 1.36497214 -0.07711488 19 -36339.98339340 43554.02288091 -31343.11923260 K 1.54346672 0.14696595 1.55257092 19 -45719.32337881 -46185.81969574 32609.30354460 K -0.12533797 1.38934763 1.46308860 19 43831.18044931 50894.07002820 22529.91402059