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=-1.3081504899688434 stress="0.21916401748473252 0.13243569742652622 -0.13994484573335034 0.13243569742652622 0.19941437800543682 0.05046530405414323 -0.13994484573335034 0.05046530405414323 0.2559109575252369" pbc="T F F" N 0.02724172 0.22083292 0.18107110 0.61974532 2.94677804 2.70603496 N 1.32825321 1.63102478 0.09995250 -2.95253073 -1.75275443 1.97257464 N 1.76120756 0.01193751 1.75226748 1.63098395 0.86983897 -1.33558084 N 0.16811335 1.54396501 1.57236142 0.70180147 -2.06386258 -3.34302876