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=-0.04021857482755642 stress="0.005629590376352638 -0.00015756298305988342 -0.0005857823725023041 -0.00015756298305988342 0.006057583476619388 0.0016797073088410048 -0.0005857823725023041 0.0016797073088410048 0.005012680070917726" pbc="T T F" H -0.18840695 0.20381005 0.26581080 0.00503412 0.00314629 0.06021100 H 1.15455557 1.76594084 0.00337897 -0.02069997 0.02668969 0.03673618 H 1.54218822 -0.17319704 1.48517660 0.05178350 -0.02168790 -0.06592931 H -0.20462667 1.45134888 1.72657099 -0.03611766 -0.00814808 -0.03101787