20 Lattice="4.033474029010519 4.033474029010519 0.0 -4.033474029010519 4.033474029010519 0.0 0.0 0.0 8.066948058021039" Properties=species:S:1:pos:R:3:initial_magmoms:R:1 energy=-152.13481374763805 pbc="T T T" Pb -0.00040652 -0.00106045 -0.00177295 0.00000000 Ti 2.01674205 2.01668531 2.01674488 0.00000000 O 2.01722735 2.01650263 0.02809360 0.00000000 O 0.03179441 2.01767193 2.01760982 0.00000000 O -2.01622851 4.06531924 2.01716503 0.00000000 Na 0.00014076 4.03282691 0.00087842 0.00000000 Nb 2.01673642 6.05022602 2.01667185 0.00000000 O 2.01635388 6.05025829 -0.02824149 0.00000000 O -0.03179677 6.04991098 2.01689199 0.00000000 O 2.01622734 4.00171901 2.01716591 0.00000000 Na -0.00013800 -0.00059645 4.03434525 0.00000000 Nb 2.01681755 2.01698669 6.04993358 0.00000000 O 2.01635685 2.01648665 4.00523752 0.00000000 O -0.03180855 2.01879611 6.05005437 0.00000000 O -2.00742114 4.01131487 6.05052812 0.00000000 Pb 0.00041493 4.03234293 4.03171360 0.00000000 Ti 2.01669986 6.04728991 6.05011670 0.00000000 O 2.01698393 6.05024409 4.06170113 0.00000000 O 0.03150615 6.07606101 6.04989309 0.00000000 O 2.00761945 4.07506792 6.05052995 0.00000000