      108
surface structure 
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O            0.00000000        4.81050100        4.81050100
O            0.00000000        9.62100200        4.81050100
O            4.81050100        0.00000000        4.81050100
O            4.81050100        4.81050100        4.81050100
O            4.81050100        9.62100200        4.81050100
O            9.62100200        0.00000000        4.81050100
O            9.62100200        4.81050100        4.81050100
O            9.62100200        9.62100200        4.81050100
O            2.40525050        2.40525050        4.81050100
O            2.40525050        7.21575150        4.81050100
O            2.40525050       12.02625250        4.81050100
O            7.21575150        2.40525050        4.81050100
O            7.21575150        7.21575150        4.81050100
O            7.21575150       12.02625250        4.81050100
O           12.02625250        2.40525050        4.81050100
O           12.02625250        7.21575150        4.81050100
O           12.02625250       12.02625250        4.81050100
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Ca           2.40525050        4.81050100        4.81050100
Ca           2.40525050        9.62100200        4.81050100
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Ca           0.00000000       12.02625250        4.81050100
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Ca           4.81050100       12.02625250        4.81050100
Ca           9.62100200        2.40525050        4.81050100
Ca           9.62100200        7.21575150        4.81050100
Ca           9.62100200       12.02625250        4.81050100
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O           12.02625250        9.62100200        2.40525050
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Ca           7.21575150        2.40525050        2.40525050
Ca           7.21575150        7.21575150        2.40525050
Ca           7.21575150       12.02625250        2.40525050
Ca          12.02625250        2.40525050        2.40525050
Ca          12.02625250        7.21575150        2.40525050
Ca          12.02625250       12.02625250        2.40525050
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Ca           0.00000000        9.62100200        2.40525050
Ca           4.81050100        0.00000000        2.40525050
Ca           4.81050100        4.81050100        2.40525050
Ca           4.81050100        9.62100200        2.40525050
Ca           9.62100200        0.00000000        2.40525050
Ca           9.62100200        4.81050100        2.40525050
Ca           9.62100200        9.62100200        2.40525050
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O            2.40525050       12.02625250        0.00000000
O            7.21575150        2.40525050        0.00000000
O            7.21575150        7.21575150        0.00000000
O            7.21575150       12.02625250        0.00000000
O           12.02625250        2.40525050        0.00000000
O           12.02625250        7.21575150        0.00000000
O           12.02625250       12.02625250        0.00000000
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Ca           2.40525050        4.81050100        0.00000000
Ca           2.40525050        9.62100200        0.00000000
Ca           7.21575150        0.00000000        0.00000000
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Ca           7.21575150        9.62100200        0.00000000
Ca          12.02625250        0.00000000        0.00000000
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Ca          12.02625250        9.62100200        0.00000000
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Ca           0.00000000        7.21575150        0.00000000
Ca           0.00000000       12.02625250        0.00000000
Ca           4.81050100        2.40525050        0.00000000
Ca           4.81050100        7.21575150        0.00000000
Ca           4.81050100       12.02625250        0.00000000
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Ca           9.62100200        7.21575150        0.00000000
Ca           9.62100200       12.02625250        0.00000000
