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=4.279976103242679 stress="-0.025538095510389273 -0.049492910272804315 -0.03174728570021695 -0.049492910272804315 -0.35545940768917705 0.0031216429953186526 -0.03174728570021695 0.0031216429953186526 -0.37368222925824734" free_energy=4.279976103242679 pbc="F T T"
O       0.25551247       2.85444624       2.99188881      -0.11319397      -1.21098419      -0.96757122 
O       1.56482696       1.34620060       0.16254043      -0.34834189      -0.19788007       0.80179726 
O       1.20575425       2.96963223       1.65586213       1.11295564       1.64530769      -0.15683086 
O       0.12036030       1.45631248       1.74843919      -0.65141977      -0.23644344       0.32260482