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=-0.7594530249183219 stress="0.041299941269445854 -0.004304700572432548 -0.0001496084611314711 -0.004304700572432548 0.06787032487171756 0.002949668096260521 -0.0001496084611314711 0.002949668096260521 0.06598150268678149" pbc="F T T" user15 0.05566664 -0.17974553 0.23488823 0.40498398 -0.03860335 0.16809671 user15 1.44340132 1.57028334 0.05831542 -0.39213483 0.21752588 0.05541214 user15 1.69338642 -0.14563487 1.55124960 -0.34456359 -0.11414298 -0.04664290 user15 0.03570759 1.22859162 1.51001493 0.33171444 -0.06477954 -0.17686595