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=-26.101757034744942 stress="2.0782448683840378 -0.1713392463627946 0.14274108896647753 -0.1713392463627946 1.5948416550391267 0.059047645007745675 0.14274108896647753 0.059047645007745675 1.5833744622702406" pbc="T F F" N -0.23138870 0.17359696 0.02478404 -6.68740611 17.97098887 17.93415457 N 1.76368010 1.70175051 0.00906357 9.76584325 -15.70367179 12.29547448 N 1.45387127 0.07484420 1.49215659 5.84807075 13.97234362 -10.55299803 N -0.15800746 1.26249257 1.40066186 -8.92650789 -16.23966070 -19.67663102