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=-1.3667809068137442 stress="-0.11917952151865352 0.060494105169795524 -0.008311790029249614 0.060494105169795524 -0.11753467402315661 -0.07090974871749813 -0.008311790029249614 -0.07090974871749813 -0.14983496679906466" pbc="F T F"
O       0.11041876      -0.03194186       0.08611608      -0.95107400      -0.19994326      -1.59639901 
O       1.53369179       1.52598936       0.29874826       0.75116891      -1.42213577      -1.78232369 
O       1.27290972      -0.11909813       1.36136659       1.77771899       0.39125267       2.41821979 
O       0.05835534       1.24645637       1.48193431      -1.57781390       1.23082637       0.96050290