12 Lattice="6.892607260398728 0.01325645503503834 0.0 -3.4348232024746017 5.946736057954546 0.0 -2.1456829036775383e-16 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-82.04909287152839 stress="2.9160393641454877e-05 -2.179993577699395e-05 -7.978011485412255e-06 -2.179993577699395e-05 -8.149607093879621e-06 1.1664185542656259e-05 -7.978011485412255e-06 1.1664185542656259e-05 4.0424838508740345e-05" dipole="-9.511695581405153e-15 1.8797579028645994e-14 -2.823636549856246e-13" magmom=1.0290755043663398 free_energy=-82.07930142978974 pbc="T T F" Zr 0.01148043 5.95336429 16.59500000 1.00000000 0.00000000 0.00000000 0.00000000 0.02048353 Mo 3.45778406 5.95999251 16.59500000 1.00000000 0.00000000 0.00000000 0.00000000 0.36963486 Zr 1.72889203 2.97999626 16.59500000 1.00000000 0.00000000 0.00000000 0.00000000 0.02048353 Mo 5.17519566 2.98662448 16.59500000 1.00000000 0.00000000 0.00000000 0.00000000 0.36963463 S 1.66417561 0.96040490 18.13366668 1.00000000 -0.00115083 -0.00213816 -0.00237471 0.00896299 S 5.23795660 1.04060981 18.09360209 1.00000000 0.00305147 -0.00045285 0.00319044 0.00326763 S -0.05323600 3.93377292 18.13366668 1.00000000 -0.00115084 -0.00213816 -0.00237473 0.00896299 S 3.52054500 4.01397785 18.09360209 1.00000000 0.00305146 -0.00045284 0.00319043 0.00326763 S -0.06276094 1.94601467 15.09639791 1.00000000 -0.00305146 0.00045284 -0.00319043 0.00326763 S 3.51102005 2.02621959 15.05633332 1.00000000 0.00115084 0.00213816 0.00237473 0.00896299 S -1.78017254 4.91938270 15.09639791 1.00000000 -0.00305147 0.00045285 -0.00319044 0.00326763 S 1.79360845 4.99958762 15.05633332 1.00000000 0.00115083 0.00213816 0.00237471 0.00896299