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=-12.8250614899 stress="-2.56928214172348 0.26363984614268016 0.3423624280982555 0.26363984614268016 -2.7427528434138346 0.900019792012105 0.3423624280982555 0.900019792012105 -2.477558340963154" pbc="F F F" C -0.03396003 -0.19401975 -0.17842402 -2.12294488 -1.84508289 -1.64286523 C 1.51361598 1.35198705 -0.02432459 3.16375747 4.77302950 -5.17998604 C 1.56329927 -0.06254558 1.27846858 3.05157267 -5.28679899 4.16612794 C -0.00548572 1.34126820 1.34140700 -4.09238525 2.35885238 2.65672332