12 Lattice="3.5276901242250145 -1.4289054136284996e-21 0.0 5.480782170369153e-17 11.658610614258297 0.0 -3.5502326297171624e-17 4.017479200955271e-34 35.22072" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:forces:R:3:magmoms:R:1 energy=-63.99727592916656 stress="7.56026075300397e-06 0.0 7.620781158232396e-24 0.0 -2.9891342100636067e-05 0.0 7.620781158232396e-24 0.0 2.5492781916085898e-05" dipole="-3.637614044499876e-13 -1.039252478395589e-12 -8.594254743739294e-13" magmom=0.0 free_energy=-63.997628478160365 pbc="T T F" Zr -0.00000000 -0.00000000 16.55338297 0.00000000 0.00000000 0.00000000 -0.00595484 0.00000000 Zr 1.76384506 5.82930531 18.66733703 0.00000000 -0.00000000 0.00000000 0.00595484 0.00000000 S -0.00000000 5.82930531 16.78490063 0.00000000 -0.00000000 0.00000000 0.00132346 0.00000000 S 1.76384506 0.00000000 18.43581937 0.00000000 0.00000000 0.00000000 -0.00132346 0.00000000 S 0.00000000 6.88189149 20.25548079 0.00000000 0.00000000 -0.00486878 0.00147518 0.00000000 S 0.00000000 4.77671912 20.25548079 0.00000000 0.00000000 0.00486878 0.00147518 0.00000000 S 1.76384506 10.60602443 14.96523921 0.00000000 0.00000000 0.00486878 -0.00147518 0.00000000 S 1.76384506 1.05258619 14.96523921 0.00000000 0.00000000 -0.00486878 -0.00147518 0.00000000 S -0.00000000 2.25934892 17.95907269 0.00000000 0.00000000 0.00489814 0.00743005 0.00000000 S 0.00000000 9.39926169 17.95907269 0.00000000 0.00000000 -0.00489814 0.00743005 0.00000000 S 1.76384506 3.56995638 17.26164731 0.00000000 0.00000000 -0.00489814 -0.00743005 0.00000000 S 1.76384506 8.08865423 17.26164731 0.00000000 0.00000000 0.00489814 -0.00743005 0.00000000