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=1285.0196977590967 pbc="T T F"
Kr       0.20996341       0.10662489       0.15300231       36   -3293.32029715     215.73124103   -2891.46794910 
Kr       1.53848316       1.49028240      -0.08147842       36     540.23142936      95.36253938    -808.86626000 
Kr       1.45789336      -0.11174318       1.27041603       36    3724.71981016     695.99769090    2969.77856358 
Kr       0.19178619       1.67895518       1.79140871       36    -971.63094236   -1007.09147131     730.55564552