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bulk MgO -> Species: Mg O 1.000000000000000 0.0000000000000000 2.1000000000000000 2.1000000000000000 2.1000000000000000 0.0000000000000000 2.1000000000000000 2.1000000000000000 2.1000000000000000 0.0000000000000000 1 1Direct 0.0000000000000000 0.0000000000000000 0.0000000000000000 0.5000000000000000 0.5000000000000000 0.5000000000000000 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00
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