test/files/CFGT27.CONFIG

DL-POLY CONFIG FILE: Calcium Carbonate (Calcite)
         0         3
   0.000000000000000  28.780733999999999   0.000000000000000
   0.000000000000000  16.788761500000000  29.078987914199999
  29.136591666499999 -11.991972499999999  -6.923568551000000
Ca
   1.456829583300000   4.796789000000000   2.769427420400000
C
   0.000000000000000  11.991972499999999   4.154141130600000
O
   0.000000000000000  10.796604137399999   4.154141130600000
O
   0.000000000000000  12.589656681299999   3.118921761700000
O
   0.000000000000000  12.589656681299999   5.189360499500000
Ca
   1.456829583300000   9.593578000000001   2.769427420400000
C
   2.913659166700000   2.398394500000000   1.384713710200000
O
   2.913659166700000   1.800710318700000   0.349494341300000
O
   2.913659166700000   3.593762862600000   1.384713710200000
O
   2.913659166700000   1.800710318700000   2.419933079100000
Ca
   4.370488750000000  11.991972499999999   4.154141130600000
C
   2.913659166700000   7.195183500000000   1.384713710200000
O
   2.913659166700000   8.390551862600001   1.384713710200000
O
   2.913659166700000   6.597499318700000   2.419933079100000
O
   2.913659166700000   6.597499318700000   0.349494341300000
Ca
   4.370488750000000   7.195183500000000   4.154141130600000
C
   5.827318333300000   4.796789000000000   2.769427420400000
O
   5.827318333300000   3.601420637400000   2.769427420400000
O
   5.827318333300000   5.394473181300000   1.734208051500000
O
   5.827318333300000   5.394473181300000   3.804646789300000
Ca
   1.456829583300000  14.390366999999999   2.769427420400000
C
   0.000000000000000  21.585550500000000   4.154141130600000
O
   0.000000000000000  20.390182137400000   4.154141130600000
O
   0.000000000000000  22.183234681300000   3.118921761700000
O
   0.000000000000000  22.183234681300000   5.189360499500000
Ca
   1.456829583300000  19.187156000000002   2.769427420400000
C
   2.913659166700000  11.991972499999999   1.384713710200000
O
   2.913659166700000  11.394288318699999   0.349494341300000
O
   2.913659166700000  13.187340862599999   1.384713710200000
O
   2.913659166700000  11.394288318699999   2.419933079100000
Ca
   4.370488750000000  21.585550500000000   4.154141130600000
C
   2.913659166700000  16.788761500000000   1.384713710200000
O
   2.913659166700000  17.984129862600000   1.384713710200000
O
   2.913659166700000  16.191077318700000   2.419933079100000
O
   2.913659166700000  16.191077318700000   0.349494341300000
Ca
   4.370488750000000  16.788761500000000   4.154141130600000
C
   5.827318333300000  14.390366999999999   2.769427420400000
O
   5.827318333300000  13.194998637399999   2.769427420400000
O
   5.827318333300000  14.988051181299999   1.734208051500000
O
   5.827318333300000  14.988051181299999   3.804646789300000
Ca
   1.456829583300000  23.983944999999999   2.769427420400000
C
   0.000000000000000  31.179128500000001   4.154141130600000
O
   0.000000000000000  29.983760137400001   4.154141130600000
O
   0.000000000000000  31.776812681300001   3.118921761700000
O
   0.000000000000000  31.776812681300001   5.189360499500000
Ca
   1.456829583300000  28.780733999999999   2.769427420400000
C
   2.913659166700000  21.585550500000000   1.384713710200000
O
   2.913659166700000  20.987866318700000   0.349494341300000
O
   2.913659166700000  22.780918862600000   1.384713710200000
O
   2.913659166700000  20.987866318700000   2.419933079100000
Ca
   4.370488750000000  31.179128500000001   4.154141130600000
C
   2.913659166700000  26.382339500000000   1.384713710200000
O
   2.913659166700000  27.577707862600001   1.384713710200000
O
   2.913659166700000  25.784655318700000   2.419933079100000
O
   2.913659166700000  25.784655318700000   0.349494341300000
Ca
   4.370488750000000  26.382339500000000   4.154141130600000
C
   5.827318333300000  23.983944999999999   2.769427420400000
O
   5.827318333300000  22.788576637399999   2.769427420400000
O
   5.827318333300000  24.581629181299999   1.734208051500000
O
   5.827318333300000  24.581629181299999   3.804646789300000
Ca
   1.456829583300000   7.195183500000000   6.923568551000000
C
   0.000000000000000  14.390366999999999   8.308282261200000
O
   0.000000000000000  13.194998637399999   8.308282261200000
O
   0.000000000000000  14.988051181299999   7.273062892300000
O
   0.000000000000000  14.988051181299999   9.343501630100000
Ca
   1.456829583300000  11.991972499999999   6.923568551000000
C
   2.913659166700000   4.796789000000000   5.538854840800000
O
   2.913659166700000   4.199104818700000   4.503635471900000
O
   2.913659166700000   5.992157362600000   5.538854840800000
O
   2.913659166700000   4.199104818700000   6.574074209700000
Ca
   4.370488750000000  14.390366999999999   8.308282261200000
C
   2.913659166700000   9.593578000000001   5.538854840800000
O
   2.913659166700000  10.788946362600001   5.538854840800000
O
   2.913659166700000   8.995893818700001   6.574074209700000
O
   2.913659166700000   8.995893818700001   4.503635471900000
Ca
   4.370488750000000   9.593578000000001   8.308282261200000
C
   5.827318333300000   7.195183500000000   6.923568551000000
O
   5.827318333300000   5.999815137400000   6.923568551000000
O
   5.827318333300000   7.792867681300000   5.888349182100000
O
   5.827318333300000   7.792867681300000   7.958787919900000
Ca
   1.456829583300000  16.788761500000000   6.923568551000000
C
   0.000000000000000  23.983944999999999   8.308282261200000
O
   0.000000000000000  22.788576637399999   8.308282261200000
O
   0.000000000000000  24.581629181299999   7.273062892300000
O
   0.000000000000000  24.581629181299999   9.343501630100000
Ca
   1.456829583300000  21.585550500000000   6.923568551000000
C
   2.913659166700000  14.390366999999999   5.538854840800000
O
   2.913659166700000  13.792682818699999   4.503635471900000
O
   2.913659166700000  15.585735362599999   5.538854840800000
O
   2.913659166700000  13.792682818699999   6.574074209700000
Ca
   4.370488750000000  23.983944999999999   8.308282261200000
C
   2.913659166700000  19.187156000000002   5.538854840800000
O
   2.913659166700000  20.382524362600002   5.538854840800000
O
   2.913659166700000  18.589471818700002   6.574074209700000
O
   2.913659166700000  18.589471818700002   4.503635471900000
Ca
   4.370488750000000  19.187156000000002   8.308282261200000
C
   5.827318333300000  16.788761500000000   6.923568551000000
O
   5.827318333300000  15.593393137400000   6.923568551000000
O
   5.827318333300000  17.386445681300000   5.888349182100000
O
   5.827318333300000  17.386445681300000   7.958787919900000
Ca
   1.456829583300000  26.382339500000000   6.923568551000000
C
   0.000000000000000  33.577522999999999   8.308282261200000
O
   0.000000000000000  32.382154637399999   8.308282261200000
O
   0.000000000000000  34.175207181300003   7.273062892300000
O
   0.000000000000000  34.175207181300003   9.343501630100000
Ca
   1.456829583300000  31.179128500000001   6.923568551000000
C
   2.913659166700000  23.983944999999999   5.538854840800000
O
   2.913659166700000  23.386260818699999   4.503635471900000
O
   2.913659166700000  25.179313362599999   5.538854840800000
O
   2.913659166700000  23.386260818699999   6.574074209700000
Ca
   4.370488750000000  33.577522999999999   8.308282261200000
C
   2.913659166700000  28.780733999999999   5.538854840800000
O
   2.913659166700000  29.976102362599999   5.538854840800000
O
   2.913659166700000  28.183049818699999   6.574074209700000
O
   2.913659166700000  28.183049818699999   4.503635471900000
Ca
   4.370488750000000  28.780733999999999   8.308282261200000
C
   5.827318333300000  26.382339500000000   6.923568551000000
O
   5.827318333300000  25.186971137400000   6.923568551000000
O
   5.827318333300000  26.980023681300001   5.888349182100000
O
   5.827318333300000  26.980023681300001   7.958787919900000
Ca
   1.456829583300000   9.593578000000001  11.077709681600000
C
   0.000000000000000  16.788761500000000  12.462423391800000
O
   0.000000000000000  15.593393137400000  12.462423391800000
O
   0.000000000000000  17.386445681300000  11.427204022900000
O
   0.000000000000000  17.386445681300000  13.497642760700000
Ca
   1.456829583300000  14.390366999999999  11.077709681600000
C
   2.913659166700000   7.195183500000000   9.692995971400000
O
   2.913659166700000   6.597499318700000   8.657776602500000
O
   2.913659166700000   8.390551862600001   9.692995971400000
O
   2.913659166700000   6.597499318700000  10.728215340300000
Ca
   4.370488750000000  16.788761500000000  12.462423391800000
C
   2.913659166700000  11.991972499999999   9.692995971400000
O
   2.913659166700000  13.187340862599999   9.692995971400000
O
   2.913659166700000  11.394288318699999  10.728215340300000
O
   2.913659166700000  11.394288318699999   8.657776602500000
Ca
   4.370488750000000  11.991972499999999  12.462423391800000
C
   5.827318333300000   9.593578000000001  11.077709681600000
O
   5.827318333300000   8.398209637400001  11.077709681600000
O
   5.827318333300000  10.191262181300001  10.042490312700000
O
   5.827318333300000  10.191262181300001  12.112929050500000
Ca
   1.456829583300000  19.187156000000002  11.077709681600000
C
   0.000000000000000  26.382339500000000  12.462423391800000
O
   0.000000000000000  25.186971137400000  12.462423391800000
O
   0.000000000000000  26.980023681300001  11.427204022900000
O
   0.000000000000000  26.980023681300001  13.497642760700000
Ca
   1.456829583300000  23.983944999999999  11.077709681600000
C
   2.913659166700000  16.788761500000000   9.692995971400000
O
   2.913659166700000  16.191077318700000   8.657776602500000
O
   2.913659166700000  17.984129862600000   9.692995971400000
O
   2.913659166700000  16.191077318700000  10.728215340300000
Ca
   4.370488750000000  26.382339500000000  12.462423391800000
C
   2.913659166700000  21.585550500000000   9.692995971400000
O
   2.913659166700000  22.780918862600000   9.692995971400000
O
   2.913659166700000  20.987866318700000  10.728215340300000
O
   2.913659166700000  20.987866318700000   8.657776602500000
Ca
   4.370488750000000  21.585550500000000  12.462423391800000
C
   5.827318333300000  19.187156000000002  11.077709681600000
O
   5.827318333300000  17.991787637400002  11.077709681600000
O
   5.827318333300000  19.784840181300002  10.042490312700000
O
   5.827318333300000  19.784840181300002  12.112929050500000
Ca
   1.456829583300000  28.780733999999999  11.077709681600000
C
   0.000000000000000  35.975917500000001  12.462423391800000
O
   0.000000000000000  34.780549137400001  12.462423391800000
O
   0.000000000000000  36.573601681299998  11.427204022900000
O
   0.000000000000000  36.573601681299998  13.497642760700000
Ca
   1.456829583300000  33.577522999999999  11.077709681600000
C
   2.913659166700000  26.382339500000000   9.692995971400000
O
   2.913659166700000  25.784655318700000   8.657776602500000
O
   2.913659166700000  27.577707862600001   9.692995971400000
O
   2.913659166700000  25.784655318700000  10.728215340300000
Ca
   4.370488750000000  35.975917500000001  12.462423391800000
C
   2.913659166700000  31.179128500000001   9.692995971400000
O
   2.913659166700000  32.374496862599997   9.692995971400000
O
   2.913659166700000  30.581444318700001  10.728215340300000
O
   2.913659166700000  30.581444318700001   8.657776602500000
Ca
   4.370488750000000  31.179128500000001  12.462423391800000
C
   5.827318333300000  28.780733999999999  11.077709681600000
O
   5.827318333300000  27.585365637399999  11.077709681600000
O
   5.827318333300000  29.378418181299999  10.042490312700000
O
   5.827318333300000  29.378418181299999  12.112929050500000
Ca
   1.456829583300000  11.991972499999999  15.231850812199999
C
   0.000000000000000  19.187156000000002  16.616564522400001
O
   0.000000000000000  17.991787637400002  16.616564522400001
O
   0.000000000000000  19.784840181300002  15.581345153499999
O
   0.000000000000000  19.784840181300002  17.651783891299999
Ca
   1.456829583300000  16.788761500000000  15.231850812199999
C
   2.913659166700000   9.593578000000001  13.847137102000000
O
   2.913659166700000   8.995893818700001  12.811917733100000
O
   2.913659166700000  10.788946362600001  13.847137102000000
O
   2.913659166700000   8.995893818700001  14.882356470900000
Ca
   4.370488750000000  19.187156000000002  16.616564522400001
C
   2.913659166700000  14.390366999999999  13.847137102000000
O
   2.913659166700000  15.585735362599999  13.847137102000000
O
   2.913659166700000  13.792682818699999  14.882356470900000
O
   2.913659166700000  13.792682818699999  12.811917733100000
Ca
   4.370488750000000  14.390366999999999  16.616564522400001
C
   5.827318333300000  11.991972499999999  15.231850812199999
O
   5.827318333300000  10.796604137399999  15.231850812199999
O
   5.827318333300000  12.589656681299999  14.196631443299999
O
   5.827318333300000  12.589656681299999  16.267070181099999
Ca
   1.456829583300000  21.585550500000000  15.231850812199999
C
   0.000000000000000  28.780733999999999  16.616564522400001
O
   0.000000000000000  27.585365637399999  16.616564522400001
O
   0.000000000000000  29.378418181299999  15.581345153499999
O
   0.000000000000000  29.378418181299999  17.651783891299999
Ca
   1.456829583300000  26.382339500000000  15.231850812199999
C
   2.913659166700000  19.187156000000002  13.847137102000000
O
   2.913659166700000  18.589471818700002  12.811917733100000
O
   2.913659166700000  20.382524362600002  13.847137102000000
O
   2.913659166700000  18.589471818700002  14.882356470900000
Ca
   4.370488750000000  28.780733999999999  16.616564522400001
C
   2.913659166700000  23.983944999999999  13.847137102000000
O
   2.913659166700000  25.179313362599999  13.847137102000000
O
   2.913659166700000  23.386260818699999  14.882356470900000
O
   2.913659166700000  23.386260818699999  12.811917733100000
Ca
   4.370488750000000  23.983944999999999  16.616564522400001
C
   5.827318333300000  21.585550500000000  15.231850812199999
O
   5.827318333300000  20.390182137400000  15.231850812199999
O
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O
   5.827318333300000  22.183234681300000  16.267070181099999
Ca
   1.456829583300000  31.179128500000001  15.231850812199999
C
   0.000000000000000  38.374312000000003  16.616564522400001
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O
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Ca
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C
   2.913659166700000  28.780733999999999  13.847137102000000
O
   2.913659166700000  28.183049818699999  12.811917733100000
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   2.913659166700000  29.976102362599999  13.847137102000000
O
   2.913659166700000  28.183049818699999  14.882356470900000
Ca
   4.370488750000000  38.374312000000003  16.616564522400001
C
   2.913659166700000  33.577522999999999  13.847137102000000
O
   2.913659166700000  34.772891362599999  13.847137102000000
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   2.913659166700000  32.979838818700003  14.882356470900000
O
   2.913659166700000  32.979838818700003  12.811917733100000
Ca
   4.370488750000000  33.577522999999999  16.616564522400001
C
   5.827318333300000  31.179128500000001  15.231850812199999
O
   5.827318333300000  29.983760137400001  15.231850812199999
O
   5.827318333300000  31.776812681300001  14.196631443299999
O
   5.827318333300000  31.776812681300001  16.267070181099999
Ca
   1.456829583300000  14.390366999999999  19.385991942800000
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   0.000000000000000  21.585550500000000  20.770705653000000
O
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O
   0.000000000000000  22.183234681300000  21.805925021899998
Ca
   1.456829583300000  19.187156000000002  19.385991942800000
C
   2.913659166700000  11.991972499999999  18.001278232600001
O
   2.913659166700000  11.394288318699999  16.966058863699999
O
   2.913659166700000  13.187340862599999  18.001278232600001
O
   2.913659166700000  11.394288318699999  19.036497601499999
Ca
   4.370488750000000  21.585550500000000  20.770705653000000
C
   2.913659166700000  16.788761500000000  18.001278232600001
O
   2.913659166700000  17.984129862600000  18.001278232600001
O
   2.913659166700000  16.191077318700000  19.036497601499999
O
   2.913659166700000  16.191077318700000  16.966058863699999
Ca
   4.370488750000000  16.788761500000000  20.770705653000000
C
   5.827318333300000  14.390366999999999  19.385991942800000
O
   5.827318333300000  13.194998637399999  19.385991942800000
O
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O
   5.827318333300000  14.988051181299999  20.421211311699999
Ca
   1.456829583300000  23.983944999999999  19.385991942800000
C
   0.000000000000000  31.179128500000001  20.770705653000000
O
   0.000000000000000  29.983760137400001  20.770705653000000
O
   0.000000000000000  31.776812681300001  19.735486284099998
O
   0.000000000000000  31.776812681300001  21.805925021899998
Ca
   1.456829583300000  28.780733999999999  19.385991942800000
C
   2.913659166700000  21.585550500000000  18.001278232600001
O
   2.913659166700000  20.987866318700000  16.966058863699999
O
   2.913659166700000  22.780918862600000  18.001278232600001
O
   2.913659166700000  20.987866318700000  19.036497601499999
Ca
   4.370488750000000  31.179128500000001  20.770705653000000
C
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O
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