Si 1.0000000000000000 2.7766216066963456 -0.0000000000000000 0.0000000000000000 -1.3883108033481728 2.4046248480957995 -0.0000000000000000 -0.0000000000000000 -0.0000000000000000 4.6002685073604672 Si 2 Selective dynamics Cartesian -0.0000000138831084 1.6030832400792829 1.1500671268401168 T T T 1.3883107894650650 0.8015416240473497 3.4502013805203502 T T T