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=0.04816427262319124 stress="0.00934768041925295 -0.0014437919636023804 0.01703932608174216 -0.0014437919636023804 -0.004801024980731486 0.004059754539987938 0.01703932608174216 0.004059754539987938 0.01116643604729875" free_energy=0.04816427262319124 pbc="F T F" H 0.21211731 2.94968690 0.29594673 0.30369551 -0.07543770 0.22347553 H 1.65710459 1.49042854 0.24122900 0.07826696 0.17732134 0.06844135 H 1.52201293 2.81634348 1.42534241 -0.29074062 -0.15856396 -0.41136754 H 0.04376171 1.22051529 1.69273990 -0.09122185 0.05668032 0.11945066