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# SQUEEZE RESULTS
# 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  0.046  0.107  0.445        73        24 ' '
   2 -0.047  0.107  0.945        73        24 ' '
   3 -0.047  0.893  0.445        73        24 ' '
   4  0.046  0.893  0.945        73        24 ' '
   5  0.107  0.454  0.694        73        24 ' '
   6  0.107  0.546  0.194        73        24 ' '
   7  0.392 -0.046  0.695        73        24 ' '
   8  0.392  1.046  0.195        73        24 ' '
   9  0.453  0.393  0.944        73        24 ' '
  10  0.453  0.607  0.445        73        24 ' '
  11  0.546  0.393  0.445        73        24 ' '
  12  0.546  0.607  0.945        73        24 ' '
  13  0.607  0.046  0.694        73        24 ' '
  14  0.607  0.954  0.194        73        24 ' '
  15  0.892  0.546  0.695        73        24 ' '
  16  0.892  0.454  0.195        73        24 ' '
_platon_squeeze_details                           ?






SQZÎļþ£º
TITL BO2754 in I4(1)cd
CELL   26.3332   26.3332   17.9578     90.00     90.00     90.00
SPGR I41cd
# Solvent Accessible Volume =    1187.2
# Electrons Found in S.A.V. =     381.5
# Note: Atoms in Void as Cxxx and Qxxx all others
C101 0.478 0.557 0.488 !       6.57 eA-3
C102 0.452 0.368 0.483 !       4.76 eA-3
C103 0.071 0.921-0.002 !       1.80 eA-3
C104 0.361 0.604 0.423 !       0.57 eA-3
C105 0.874 0.907 0.481 !       0.55 eA-3
Q106 0.870 0.939 0.453 !       0.54 eA-3
Q107 0.042 0.595 0.191 !       0.51 eA-3




LISÎļþ²¿·ÖÊý¾Ý£º
Summary and Remarks : N = NOTE, W = WARNING, E = ERROR
================================================================================

N: No S.U.'s (esd) on observed/calculated parameters.
--------------------------------------------------------------------------------
N: Number of moved primary input atoms: ..................................   84
N: Number of Ignored Lines on INPUT ......................................    5
          of which blank in column 1 .....................................    5
N: Total Potential Solvent Accessible Void Vol ..................  1187.2 Ang^3
N: Electron Count / Cell =    380

================================================================================
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