P RELA ATOM : X= Y= Z= MULT= 1 ISPLIT= 8 NPT= 700 R0= 0.00005 RMT= Z: LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0.0000000 0.0000000 0.0000000 1.0000000 0 NUMBER OF SYMMETRY OPERATIONS