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=41695.74652911045 stress="-204990.28501725683 -112932.7160654685 9312.624194641845 -112932.7160654685 -225134.69269678293 -5515.322239570654 9312.624194641845 -5515.322239570654 -76277.53712674903" pbc="F F F"
Pr       0.15792873       0.06592854      -0.05259147 -119256.05701274 -140666.07693442  -21003.57888390 
Pr       1.36017890       1.37893533      -0.06059475  130882.91561906  130595.97140192  -24447.37348035 
Pr       1.42178450       0.12561735       1.79577267   31434.28476931  -29172.39839941   19638.00130512 
Pr      -0.02571422       1.47772840       1.48863877  -43061.14337563   39242.50393191   25812.95105913