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=504431.29401042947 stress="-75000.35200986556 1561.0183541851497 -20443.02695109568 1561.0183541851497 -72643.20662192773 -23089.834633919032 -20443.02695109568 -23089.834633919032 -77512.66406770798" pbc="T F F"
Pr       0.11093340       0.50513041       0.26674361 -1207258.64079136 -996912.69374380 -1566612.90990213 
Pr       1.51438064       1.43177251       0.10432566  514487.21391669  363838.50450162 -489691.01960954 
Pr       1.27522561       0.09691810       1.20063448  848929.26128333 -612144.34290997  788626.75473395 
Pr       0.34872743       1.60881913       1.27395272 -156157.83440866 1245218.53215215 1267677.17477772