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=5356.754500230137 stress="-889.3040137053281 -98.42055417836453 235.4085947589804 -98.42055417836453 -783.2035007448021 -124.90848480723817 235.4085947589804 -124.90848480723817 -889.7198189583337" pbc="T T T"
At       0.20713328       0.29501558       0.05110767   -8530.76929381   -2995.50667080    9746.97504711 
At       1.62648720       1.39480571      -0.20534746    3125.48068513    6785.47364803    6700.75241818 
At       1.23404592       0.07025425       1.75031331    8084.55383239   -5284.25738769  -11878.08779125 
At       0.11425863       1.60377621       1.71559994   -2679.26522371    1494.29041046   -4569.63967404