Cu N 1.0000000000000000 3.1748238103281246 0.0000000000000000 -0.0000000000000000 0.0000000000000000 3.1748238103281246 0.0000000000000000 0.0000000000000000 0.0000000000000000 3.1748238103281246 Cu N 3 1 Selective dynamics Cartesian 0.0000000000000000 1.5874119051640629 1.5874119051640629 T T T 1.5874119051640627 0.0000000000000002 1.5874119051640629 T T T 1.5874119051640627 1.5874119051640629 0.0000000000000002 T T T 0.0000000000000000 0.0000000000000002 0.0000000000000002 T T T