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=-4.4582793452406415 stress="0.10452695079031607 -0.0008375624831260569 0.02982452874397019 -0.0008375624831260569 0.1786862790643512 0.1628231364326984 0.02982452874397019 0.1628231364326984 0.24687988591583254" free_energy=-4.4582793452406415 pbc="F T F"
O       0.21005355       0.21211731       0.29594673       1.76290748       2.17253897       3.72327552 
O       1.65710459       1.49042854       0.24122900      -0.94080711       1.21116317       1.46290210 
O       1.52201293       2.81634348       1.42534241      -1.09037313      -1.48235921      -2.46190326 
O       0.09708374       1.22051529       1.69273990       0.26827275      -1.90134293      -2.72427436