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=-4.55657832656 stress="-5.230644830976832 1.8944989834780863 0.18879759626129158 1.8944989834780863 -8.348608323140398 -0.036470720582578546 0.18879759626129158 -0.036470720582578546 -6.309628557748882" pbc="F F F" Mo 0.27559981 -0.28678287 0.21736445 -6.40979941 -14.25355178 -11.93339855 U 1.28604778 1.70384132 -0.20775377 7.16620991 9.31847326 -9.49335554 Mo 1.23214964 0.00041025 1.75551247 15.77642910 -13.02732315 12.74520413 U -0.14555376 1.49188881 1.56482696 -16.53283960 17.96240167 8.68154996