6
Lattice="3.5643638741627455 -0.2113585953404907 2.2679036761313524e-16 -1.8372637254215256 4.70753038302264 2.706729041762944e-16 6.218644675183463e-16 -1.733691853795613e-17 21.825985329344196" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-30.471797887932837 stress="-5.047057029503767e-06 -1.594349461922574e-05 5.586562673384479e-05 -1.594349461922574e-05 -1.4846339037524878e-06 -8.582376137610149e-06 5.586562673384479e-05 -8.582376137610149e-06 0.00011475163754420654" dipole="-6.533037531498592 11.390577793416092 0.030511594652241503" magmom=0.0 free_energy=-30.479077166548773 pbc="T T F"
Zr       0.55330838       3.87989899      12.25312586       0.00000000       0.00295539      -0.00197559      -0.00100835       0.00000000
I        0.91667299       2.40558580       7.50034882       0.00000000       0.00396869       0.00126107       0.00434689       0.00000000
S        2.21386237       1.89230987      12.25880205       0.00000000      -0.00674737       0.00057022       0.00096072       0.00000000
Pt       1.53449239       2.16622421      10.05630671       0.00000000       0.00058526      -0.00223705      -0.00461868       0.00000000
S        0.60913660      -0.07571033      10.47661170       0.00000000      -0.00037294       0.00019085       0.00379490       0.00000000
Br      -1.29360636       4.56654041      14.32588642       0.00000000      -0.00028382       0.00209960      -0.00343814       0.00000000