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=-1.3427285585407733 stress="0.11696230011635045 0.007629471806505739 -0.008850571947121941 0.007629471806505739 0.06874280275622494 0.010106129513190421 -0.008850571947121941 0.010106129513190421 0.11170071638301235" pbc="T F T" user02 -0.06933860 0.26277000 -0.16875728 0.67763243 0.86571834 -0.49170762 user02 1.20956560 1.25459161 -0.07643287 -0.43097389 -1.00178578 -0.33616136 user02 1.17301767 0.03402002 1.74579061 -0.38678036 0.84192867 0.61566877 user02 -0.27761924 1.21178333 1.40928398 0.14012183 -0.70586123 0.21220021