% 1d
% b-MnO2  Mn20  OD1   (A211212045zod-thin)  cal -0.99 eV
%  102
% X
      629.010     0.00357350
      629.788     0.00360739
      630.566     0.00354092
      631.344     0.00347652
      632.122     0.00333901
      632.900     0.00346463
      633.678     0.00343815
      634.456     0.00340203
      635.234     0.00339850
      636.012     0.00344738
      636.210     0.00337574
      636.494     0.00347333
      636.778     0.00345099
      637.062     0.00348324
      637.346     0.00350013
      637.630     0.00348522
      637.914     0.00369221
      638.198     0.00377609
      638.482     0.00385531
      638.766     0.00415369
      639.050     0.00474785
      639.334     0.00576177
      639.618     0.00812133
      639.902      0.0145023
      640.186      0.0182913
      640.470      0.0237518
      640.754      0.0202327
      641.038      0.0214991
      641.322      0.0226124
      641.606      0.0241666
      641.890      0.0264012
      642.174      0.0281041
      642.458      0.0291231
      642.742      0.0302129
      643.026      0.0314092
      643.310      0.0317539
      643.594      0.0324297
      643.878      0.0304719
      644.162      0.0284035
      644.446      0.0261748
      644.730      0.0239697
      645.014      0.0216351
      645.632      0.0171370
      646.054      0.0148616
      646.476      0.0135365
      646.898      0.0118011
      647.320      0.0105316
      647.742     0.00990966
      648.164     0.00943414
      648.586     0.00892739
      649.008     0.00871884
      649.210     0.00854446
      649.515     0.00886601
      649.820     0.00905619
      650.125     0.00943999
      650.430      0.0104886
      650.735      0.0124053
      651.040      0.0151087
      651.345      0.0177501
      651.955      0.0200146
      652.260      0.0218029
      652.565      0.0238606
      652.870      0.0244315
      653.175      0.0238985
      653.480      0.0233582
      653.785      0.0232106
      654.090      0.0226249
      654.700      0.0197426
      655.005      0.0181940
      655.510      0.0153567
      656.635      0.0110359
      657.760     0.00907972
      658.885     0.00827676
      660.010     0.00787252
      661.135     0.00759053
      662.260     0.00751976
      663.385     0.00761433
      664.510     0.00784993
      665.635     0.00747251
      666.760     0.00735587
      667.885     0.00735733
      669.010     0.00741062
      671.010     0.00740802
      672.677     0.00724241
      674.344     0.00727940
      676.011     0.00736612
      677.678     0.00736027
      679.345     0.00763061
      681.012     0.00777433
      682.679     0.00812253
      684.346     0.00810021
      686.465     0.00824202
      686.720     0.00803641
      686.975     0.00783821
      687.230     0.00791839
      687.485     0.00793709
      687.740     0.00815547
      687.995     0.00794986
      688.250     0.00769846
      689.003     0.00743561
      689.009     0.00743561
      689.015     0.00743561
