16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-58.537739496795986 stress="-0.0001879749213384207 0.00018421325274819143 0.00025252695627067857 0.00018421325274819143 1.1613670785653372e-05 -4.6704016085006366e-05 0.00025252695627067857 -4.6704016085006366e-05 -0.00011190749068573759" free_energy=-58.537739496795986 pbc="F F F" Mo 20.85540510 21.11115480 21.11044915 1.67849664 1.33555357 1.71404960 Mo 22.70960170 22.16342156 22.33833517 -6.34798222 7.40505655 3.26841428 Mo 23.78829595 20.89839703 21.14041416 4.21171353 -4.88123082 -6.06687832 Mo 25.27812781 22.45624327 22.10681310 1.71031611 0.04410094 1.48620203 Mo 20.87679405 23.95894820 21.20259391 1.76229081 -1.24512010 1.54823647 Mo 22.56504129 25.20865944 22.36550211 -7.22763228 8.56956252 3.09490850 Mo 23.78802619 24.22277084 21.18584377 6.20872248 -4.94424569 -8.40877734 Mo 25.68362810 25.69581920 22.64136437 -1.44117276 -1.24012161 0.37988591 Mo 21.26959405 21.17626233 23.69529298 -1.95049309 0.22160114 2.10276182 Mo 22.55137041 22.30875267 25.65300231 0.55038683 0.39102781 -3.73983173 Mo 24.03848316 20.87761053 23.91852158 1.43022375 0.47661600 2.86716169 Mo 25.45789336 22.13222229 25.27041603 -2.24884379 0.65061886 -1.90865492 Mo 21.28252525 24.45115481 24.29140871 -4.58574291 -3.95940485 -0.52499286 Mo 22.54836685 25.53253581 25.64904689 2.17537975 1.06134933 1.07232968 Mo 23.78091226 24.10609294 23.96603997 4.80986487 -2.96742381 4.17913493 Mo 25.30598025 25.32157598 25.51361598 -0.73552772 -0.91793984 -1.06394974