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=36530.654143295316 pbc="T F F" Pr 0.12835943 -0.11239608 -0.08549881 59 -16170.85562942 -21779.48988558 -14465.83382776 Pr 1.20047191 1.67408945 0.09483406 59 65076.70480418 19426.40254977 -93994.97238268 Pr 1.25787595 0.22744757 1.73323627 59 45009.78541632 -65635.72476862 24163.35925505 Pr 0.18206732 1.79616735 1.63609189 59 -93915.63459108 67988.81210442 84297.44695539