12 Lattice="6.170555941535595 -0.08548792160409058 0.0 -3.159312688399419 5.471248251123492 0.0 -3.8840243220528464e-16 0.0 33.19" Properties=species:S:1:pos:R:3:tags:I:1:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-77.68031607180188 stress="4.9771546141240605e-05 -2.1494053306220042e-05 5.824427682296739e-22 -2.1494053306220042e-05 5.887328375414291e-05 -2.515321333382033e-22 5.824427682296739e-22 -2.515321333382033e-22 9.811737880076533e-05" dipole="13.661237375332238 -8.211217505929886 1.9845517120762275e-13" magmom=1.1634143537595611 free_energy=-77.7416110974506 pbc="T T F" Mn -0.09299699 5.41758696 16.59500000 1 1.00000000 -0.00852400 -0.00395013 0.00000000 1.80063432 Cr 3.02017909 5.39088048 16.59500000 2 1.00000000 -0.00113153 0.00002002 0.00000000 -1.19333215 Mn 1.48665828 2.68196502 16.59500000 1 1.00000000 -0.00851734 -0.00395235 0.00000000 1.80063449 Cr 4.59983659 2.65525758 16.59500000 2 1.00000000 -0.00111837 0.00003952 0.00000000 -1.19333329 S 1.54248793 0.89042748 18.04756886 0 1.00000000 0.00057334 -0.00000065 -0.00224708 -0.02499565 S 4.60838183 0.83646942 18.03735024 0 1.00000000 0.00465709 0.00226474 0.00307494 0.02885543 S -0.03716806 3.62605185 18.04757017 0 1.00000000 0.00056028 0.00002116 -0.00226937 -0.02499545 S 3.02872548 3.57209334 18.03735046 0 1.00000000 0.00466083 0.00227942 0.00306808 0.02885546 S 1.54248793 0.89042748 15.14243114 0 1.00000000 0.00057334 -0.00000065 0.00224708 -0.02499565 S 4.60838183 0.83646942 15.15264976 0 1.00000000 0.00465709 0.00226474 -0.00307494 0.02885543 S -0.03716806 3.62605185 15.14242983 0 1.00000000 0.00056028 0.00002116 0.00226937 -0.02499545 S 3.02872548 3.57209334 15.15264954 0 1.00000000 0.00466083 0.00227942 -0.00306808 0.02885546