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:Z:I:1:forces:R:3 energy=183.95563189088745 pbc="T F F" S 0.21736445 -0.21395222 0.20384132 16 -16.84559443 -113.68830830 -88.71893068 S 1.29224623 1.23214964 0.00041025 16 41.02909310 102.47680515 -113.00363070 S 1.75551247 -0.14555376 1.49188881 16 -9.27798612 -86.07774982 104.00381100 S 0.22068909 1.34620060 1.51821382 16 -14.90551255 97.28925297 97.71875038