6 Lattice="4.911543002724922 0.30856353501703404 2.8180306809720705e-16 -0.6517919062095197 4.877157443557678 3.280728504810117e-16 3.0116115784195793e-16 9.530764607746516e-18 18.302450643770666" Properties=species:S:1:pos:R:3:magmoms:R:1:forces:R:3 magmom=0.0 energy=-36.14128426283086 stress="1.1241727983757834e-06 -4.23679620342382e-06 -8.865905895199118e-06 -4.23679620342382e-06 -4.209684849828082e-06 6.716853654696494e-06 -8.865905895199118e-06 6.716853654696494e-06 3.6198046861399873e-05" pbc="T T F" S 0.21439629 3.09649354 7.49950176 0.00000000 -0.00242420 0.00079328 -0.00054470 Zr 0.61483134 0.70419528 8.49876521 0.00000000 -0.00282142 0.00898166 0.00024290 I 3.75540966 4.53122002 10.80387463 0.00000000 0.00115331 -0.00091734 0.00286379 S 1.62588653 1.93810631 10.34281697 0.00000000 0.00051887 -0.00032607 -0.00197803 Zr 2.63816582 3.17102141 8.49870686 0.00000000 0.00145220 -0.00799262 0.00058040 S 3.03868972 0.77863758 7.49991825 0.00000000 0.00212104 -0.00053897 -0.00120616