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=4.487017391303332 stress="-0.31507926440990364 -0.013000506723466405 -0.17516478834451935 -0.013000506723466405 -0.6372161792608004 -0.06378071333433571 -0.17516478834451935 -0.06378071333433571 -0.18399169508477725" free_energy=4.487017391303332 pbc="T T T"
O       -0.21395222       0.20384132      -0.20775377      -0.34464231      -2.50374709      -3.31231447
O        1.23214964       1.50041025       0.25551247      -3.58028053       2.63846845       3.85815874
O        1.32407847      -0.00811119       1.56482696       0.06674111      -0.63475197       1.40132544
O       -0.15379940       1.42216929       1.20575425       3.85818173       0.50003061      -1.94716971