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=42587.959817157636 stress="-155909.22706189821 37860.53989356687 -41284.505030678105 37860.53989356687 -201316.85247558716 -97339.07422861067 -41284.505030678105 -97339.07422861067 -162591.8150008751" pbc="F F F" La -0.01435950 -0.15310076 0.24371967 -44987.54127069 -95483.03984971 -107056.16510185 La 1.69321542 1.76563588 -0.01701289 12638.83506050 13607.21304657 -17285.12490435 La 1.59747426 0.03251148 1.54614882 83641.33825655 -38616.47114493 43447.27949604 La -0.00483643 1.36048880 1.49842340 -51292.63204636 120492.29794807 80894.01051015