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=-1.80961852284 stress="-5.9219823886990675 1.8181323027126584 -0.5050234398261505 1.8181323027126584 -6.735970119513802 0.04033116584554442 -0.5050234398261505 0.04033116584554442 -8.082780670221059" pbc="F F F" Mo 0.15586213 -0.09604453 -0.16773400 -10.39069448 -7.72487535 -9.96462445 Mo 1.23049600 1.62036030 -0.04368752 5.14897782 12.14737395 -18.19826725 U 1.74843919 0.14432661 1.26023492 17.68174101 -15.09036429 13.14892751 U 0.24849743 1.75911890 1.69019325 -12.44002434 10.66786570 15.01396419