12 Lattice="6.689961064471287 -0.06989154141411293 0.0 -3.405508387356512 5.896776011990384 0.0 2.7581983027083256e-17 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=-82.12694631741307 stress="1.1310626794908626e-05 -7.704868792699835e-06 -3.789813171852709e-05 -7.704868792699835e-06 -9.179699673842626e-06 -2.179481044258607e-05 -3.789813171852709e-05 -2.179481044258607e-05 0.00010618864607243938" dipole="1.237118146154665e-12 -7.020438894008382e-13 -6.152401613358583e-14" magmom=5.557689407108189 free_energy=-82.15064467052504 pbc="T T F" Cr -0.06052786 5.86183024 16.59500000 2 1.00000000 0.00000000 0.00000000 0.00000000 2.45588316 Nb 3.28445268 5.82688447 16.59500000 1 1.00000000 0.00000000 0.00000000 0.00000000 0.08156568 Cr 1.64222634 2.91344224 16.59500000 2 1.00000000 0.00000000 0.00000000 0.00000000 2.45588612 Nb 4.98720687 2.87849646 16.59500000 1 1.00000000 0.00000000 0.00000000 0.00000000 0.08156569 S 1.71484449 0.98956147 18.02339740 0 1.00000000 0.00300028 0.00114636 -0.00263013 -0.01979218 S 4.96881253 0.90217954 18.08068082 0 1.00000000 0.00526980 0.00178354 -0.00004482 -0.01286981 S 0.01208911 3.93795148 18.02339741 0 1.00000000 0.00301100 0.00112799 -0.00262995 -0.01979218 S 3.26605912 3.85056809 18.08068096 0 1.00000000 0.00526020 0.00177727 -0.00004706 -0.01286989 S 0.01839356 1.97631638 15.10931904 0 1.00000000 -0.00526020 -0.00177727 0.00004706 -0.01286989 S 3.27236357 1.88893299 15.16660259 0 1.00000000 -0.00301100 -0.00112799 0.00262995 -0.01979218 S -1.68435985 4.92470493 15.10931918 0 1.00000000 -0.00526980 -0.00178354 0.00004482 -0.01286981 S 1.56960819 4.83732300 15.16660260 0 1.00000000 -0.00300028 -0.00114636 0.00263013 -0.01979218