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=10.897972023832626 stress="-12.931497195670268 -0.5257890942456677 -6.101169435939387 -0.5257890942456677 -63.90349781048462 -34.46017362413799 -6.101169435939387 -34.46017362413799 -72.33729157726049" pbc="F F F" Cn -0.22959968 0.23575545 0.27492944 -7.31180709 -44.63383333 -48.58021060 Cn 1.27602252 1.49066227 -0.00086549 0.40218976 14.29040347 -13.76155337 Cn 1.49421449 0.27549225 1.18287245 7.16173272 -14.17885146 13.35602139 Cn -0.15207568 1.28093538 1.42659962 -0.25211539 44.52228133 48.98574258