Ne 1.0000000000000000 4.2995607534277669 0.0000000000000000 0.0000000000000000 -0.0000000000000000 4.2995607534277669 0.0000000000000000 0.0000000000000000 0.0000000000000000 4.2995607534277669 Ne 4 Selective dynamics Cartesian 0.0000000000000000 0.0000000000000000 0.0000000000000000 T T T -0.0000000000000000 2.1497803767138834 2.1497803767138834 T T T 2.1497803767138834 0.0000000000000000 2.1497803767138834 T T T 2.1497803767138834 2.1497803767138834 0.0000000000000000 T T T