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=19249.087437237806 stress="-68270.2728283275 -16553.234122118345 -29155.426935183248 -16553.234122118345 -65087.056163772475 -6501.216853671545 -29155.426935183248 -6501.216853671545 -102035.14721051471" pbc="F F F"
Pr       0.27820931      -0.23866525      -0.24603883  -38759.12739339  -32404.13721877  -47842.14883454 
Pr       1.36675867       1.50888220      -0.29790594   24053.82171404   25537.58183475  -14451.05492354 
Pr       1.23677151       0.02185820       1.42898358   33330.69583007   -4996.30357643   52427.86553793 
Pr      -0.26604536       1.59567961       1.11912095  -18625.39015073   11862.85896046    9865.33822015