12
Lattice="6.802850442385853 0.05984514143712007 0.0 -3.3495978043510046 5.801689593025438 0.0 9.569338529085128e-18 0.0 33.19" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-82.35089705123006 stress="2.603356402437255e-05 -5.434781487014662e-06 -7.505995411411457e-24 -5.434781487014662e-06 3.2642757477381366e-05 1.5669558267125956e-24 -7.505995411411457e-24 1.5669558267125956e-24 0.00011980913047459678" dipole="12.16588988635004 -6.058177915661852 1.6229469709913285e-14" magmom=0.0 free_energy=-82.38013465399385 pbc="T T F"
Mo       0.05802881       5.83519058      16.59500000       0.00000000      -0.00247715      -0.00145021       0.00000000       0.00000000
Zr       3.41515223       5.83953817      16.59500000       0.00000000       0.00725560       0.00417060       0.00000000       0.00000000
Mo       1.73282770       2.93434559      16.59500000       0.00000000      -0.00247702      -0.00144971       0.00000000       0.00000000
Zr       5.08995111       2.93869336      16.59500000       0.00000000       0.00725600       0.00417084       0.00000000       0.00000000
S        1.80378724       1.04141856      18.12628934       0.00000000      -0.00078407      -0.00043801      -0.00570647       0.00000000
S        5.03229305       0.97150540      18.19038623       0.00000000      -0.00158917      -0.00091269      -0.00976392       0.00000000
S        0.12898833       3.94226348      18.12628927       0.00000000      -0.00078369      -0.00043840      -0.00570638       0.00000000
S        3.35749404       3.87235013      18.19038619       0.00000000      -0.00158885      -0.00091263      -0.00976383       0.00000000
S        1.80378724       1.04141856      15.06371066       0.00000000      -0.00078407      -0.00043801       0.00570647       0.00000000
S        5.03229305       0.97150540      14.99961377       0.00000000      -0.00158917      -0.00091269       0.00976392       0.00000000
S        0.12898833       3.94226348      15.06371073       0.00000000      -0.00078369      -0.00043840       0.00570638       0.00000000
S        3.35749404       3.87235013      14.99961381       0.00000000      -0.00158885      -0.00091263       0.00976383       0.00000000