20 Lattice="3.9972526505031487 3.9972526505031487 0.0 -3.9972526505031487 3.9972526505031487 0.0 0.0 0.0 7.994505301006297" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-146.58068006145066 pbc="T T T" Ca 0.02535374 -0.04026182 0.00152191 0.00000000 Ti 1.99718793 1.98927842 1.99881436 0.00000000 O 1.96952276 2.03115712 0.06168769 0.00000000 O 0.04433082 2.49924895 1.99660011 0.00000000 O -2.49301588 4.05638945 2.00047190 0.00000000 Ca 0.00455083 3.94428037 -0.00095267 0.00000000 Sn 1.99695734 5.98742814 1.99771877 0.00000000 O 1.97355755 6.04204196 -0.06116489 0.00000000 O -0.06355734 5.50194010 1.99966909 0.00000000 O 2.50129353 3.94865530 1.99608538 0.00000000 Ca 0.02440695 -0.03949982 3.99574710 0.00000000 Sn 2.00132492 1.99272712 5.99518938 0.00000000 O 1.96570407 2.03662639 3.93565720 0.00000000 O -0.06292857 1.50815994 5.99736253 0.00000000 O -1.49641085 3.95308631 5.99167284 0.00000000 Ca 0.00716444 3.94422203 3.99774120 0.00000000 Ti 1.99709319 5.97578616 5.99570786 0.00000000 O 1.97702384 6.03518991 4.05842802 0.00000000 O 0.04557153 6.50280282 5.99447797 0.00000000 O 1.50018208 4.06012296 5.99786448 0.00000000