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=-12.2487270441 stress="-1.9424584069480897 3.384231502622554 -5.774165549069087 3.384231502622554 1.4990332209156358 -3.9952637840957426 -5.774165549069087 -3.9952637840957426 -5.460058547793669" pbc="F F F" N 0.19178619 0.15463060 0.29140871 -8.16674987 -0.93411979 -22.48478300 N 1.61455359 1.53253581 0.14904689 -7.63491280 -9.24325329 6.12967950 N 1.28091226 0.10609294 1.46603997 15.98546589 3.48723749 11.47098938 N -0.13072048 1.32157598 1.51361598 -0.18380322 6.69013559 4.88411413