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[ÇóÖú] ÈçºÎ¼ÆËãÓÃSqueezeÈ¥µôµÄÈܼÁ·Ö×ÓÊý

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# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
  _platon_squeeze_void_content
   1  0.000  0.000 -0.006      3035       701 ' '
   2  0.333  0.667  0.187      3035       701 ' '
   3  0.667  0.333  0.853      3035       701 ' '
_platon_squeeze_details
;
;
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xuzhqhpu

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ÒýÓûØÌû:
2Â¥: Originally posted by xuzhqhpu at 2012-04-01 10:34:17:
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3Â¥2012-04-01 16:43:20
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2Â¥2012-04-01 10:34:17
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