NaCl_8_molten_333.data (written by ASE) + shell Na x=0.5 (1u3) Volume Expanded 432 atoms 216 bonds 0 angles 0 dihedrals 4 atom types 2 bond types 0 angle types 0 dihedral types 0.0 24.09597 xlo xhi 0.0 24.09597 ylo yhi 0.0 24.09597 zlo zhi Masses 1 20.690784 2 31.90500 3 2.298976 4 3.54500 Atoms 1 1 2 1.5005 0.0000000000 0.0000000000 0.0000000000 2 1 4 -2.5005 0.0000000000 0.0000000000 0.0000000000 3 2 2 1.5005 0.0000000000 4.0159950000 4.0159950000 4 2 4 -2.5005 0.0000000000 4.0159950000 4.0159950000 5 3 2 1.5005 4.0159950000 0.0000000000 4.0159950000 6 3 4 -2.5005 4.0159950000 0.0000000000 4.0159950000 7 4 2 1.5005 4.0159950000 4.0159950000 0.0000000000 8 4 4 -2.5005 4.0159950000 4.0159950000 0.0000000000 9 5 1 1.5056 4.0159950000 4.0159950000 4.0159950000 10 5 3 -0.5056 4.0159950000 4.0159950000 4.0159950000 11 6 1 1.5056 4.0159950000 0.0000000000 0.0000000000 12 6 3 -0.5056 4.0159950000 0.0000000000 0.0000000000 13 7 1 1.5056 0.0000000000 4.0159950000 0.0000000000 14 7 3 -0.5056 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