4 Lattice="3.5 0.0 0.0 0.0 3.5 0.0 0.0 0.0 3.5" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=106.9974982124847 pbc="T T T" U -0.22303573 -0.08338442 -0.03487808 92 -61.80389587 -56.62266475 -27.77679995 U 1.10086561 1.16891194 -0.27385471 92 71.04785143 70.55072535 -62.61541501 U 0.89603145 -0.22238644 1.05720204 92 34.55478063 -56.24497687 52.01245673 U -0.10637159 1.11073857 0.90224172 92 -43.79873619 42.31691627 38.37975823