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=2.045866512023517 stress="-0.5798995193251149 -0.04073994234742586 0.23354804155732145 -0.04073994234742586 -0.568431414738047 0.029665749513680936 0.23354804155732145 0.029665749513680936 -0.09043107111294155" free_energy=2.045866512023517 pbc="T F F"
O        0.26337559       0.21211731       0.29594673       2.88352105      -6.34548579       1.40651817
O        1.65710459       1.49042854       0.24122900       3.56544047       7.01748678      -3.67852888
O        1.40637767       0.04376171       1.22051529      -2.85291933      -5.62977148      -1.11852747
O        0.19273990       1.30722932       1.26172667      -3.59604219       4.95777049       3.39053818