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=22.67217259812655 stress="-0.6905655116983138 0.06213696218698651 0.018352016724593214 0.06213696218698651 -0.7562530591573571 0.06570977470217383 0.018352016724593214 0.06570977470217383 -1.3900347876891148" pbc="F F T" Na 0.05835534 0.20070203 -0.29657041 -6.75661778 -6.52122427 0.16051243 Na 1.40085166 1.49793547 0.28187239 6.74928500 6.98409402 -1.62539655 Na 1.51001192 0.10170120 1.23292258 6.35097398 -7.34200275 1.17338641 Na 0.00082602 1.74624097 1.49815252 -6.34364120 6.87913300 0.29149771