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=670.0062089891566 stress="-111.69017230725312 42.06453314533628 4.955881472503335 42.06453314533628 -143.32386607662497 36.32221606878323 4.955881472503335 36.32221606878323 -79.84034473151829" free_energy=670.0062089891566 pbc="T T T" U 0.25398776 2.70245745 0.16431082 -284.26287160 1828.96211049 -1516.42289759 U 1.31425730 1.48844065 0.25864275 493.76428662 -1122.34186088 -465.72100570 U 1.69363168 2.87366136 1.18712203 -619.82926332 1260.54302101 476.52282855 U 2.78219307 1.71813893 1.26716069 410.32784831 -1967.16327062 1505.62107474