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=-5.967880150311266 stress="0.1862168201569773 -0.007629637983766056 0.022060604687907954 -0.007629637983766056 0.2111166450717428 0.0029205949113184472 0.022060604687907954 0.0029205949113184472 0.2856079599030071" pbc="F F T" H 0.29768454 0.17089611 0.26605796 2.92331592 2.65898925 1.15359957 H 1.20220318 1.21755886 0.01251890 -2.42044469 -2.28649562 1.18821823 H 1.39917148 0.26235339 1.34838096 -2.42413626 1.88504108 -1.57731848 H 0.21005355 1.71211731 1.44011544 1.92126504 -2.25753471 -0.76449933