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=55.29970470320292 stress="-4.5100306391762 0.7665875238036443 0.6745889035739324 0.7665875238036443 -8.354002319741157 0.06710637962226434 0.6745889035739324 0.06710637962226434 -7.899913434396057" pbc="T T T" Mo 0.27559981 -0.28678287 0.21736445 -43.70688986 58.25226443 3.60403224 S 1.28604778 1.70384132 -0.20775377 39.93048242 -56.89427597 4.74938258 S 1.23214964 0.00041025 1.75551247 15.34337961 12.99617330 -22.30861500 Mo -0.14555376 1.49188881 1.41102757 -11.56697216 -14.35416176 13.95520018