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A-L23-new-all-conv_out_conv.txt
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A-L23-new-all-conv_out_conv.txt
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Energy <xanes> I(220)ss_0 (220)ss_0p (220)ss_0s Ic(220)ss_0 A(220)in_0 A(220)ou_0 I(220)sp_0 (220)sp_0p (220)sp_0s Ic(220)sp_0 A(220)in_0 A(220)ou_0 I(008)ss_0 (008)ss_0p (008)ss_0s Ic(008)ss_0 A(008)in_0 A(008)ou_0 I(008)sp_0 (008)sp_0p (008)sp_0s Ic(008)sp_0 A(008)in_0 A(008)ou_0 I(608)ss_0 (608)ss_0p (608)ss_0s Ic(608)ss_0 A(608)in_0 A(608)ou_0 I(608)sp_0 (608)sp_0p (608)sp_0s Ic(608)sp_0 A(608)in_0 A(608)ou_0 I(115)ss_0 (115)ss_0p (115)ss_0s Ic(115)ss_0 A(115)in_0 A(115)ou_0 I(115)sp_0 (115)sp_0p (115)sp_0s Ic(115)sp_0 A(115)in_0 A(115)ou_0
-50.000 3.3872480E-03 5.8444956E+06 2.4109781E+03 1.7798881E+02 5.6590067E+06 9.6977820E-02 9.6977820E-02 1.8218039E-26 1.3461635E-13 9.8223236E-15 1.7639852E-26 9.6977820E-02 9.6977766E-02 2.0981415E+05 4.5756169E+02 2.1247431E+01 2.0315509E+05 9.6977876E-02 9.6977876E-02 7.8649153E-28 2.8014266E-14 1.3009294E-15 7.6153191E-28 9.6977876E-02 9.6977370E-02 8.7478115E+04 2.9500407E+02 2.1229945E+01 8.4701770E+04 9.6977861E-02 9.6977825E-02 3.4674174E-28 -1.8614862E-14 4.7817994E-16 3.3573713E-28 9.6977861E-02 9.6977745E-02 3.2753263E-25 -5.5743504E-13 -1.2961020E-13 3.1713757E-25 9.6977845E-02 9.6977818E-02 2.6182863E-34 1.4171386E-17 -7.8102790E-18 2.5351890E-34 9.6977845E-02 9.6977777E-02
-49.500 3.4304011E-03 5.8409856E+06 2.4102469E+03 1.7803264E+02 5.6540967E+06 9.7003743E-02 9.7003743E-02 1.8208650E-26 1.3458134E-13 9.8241100E-15 1.7626049E-26 9.7003743E-02 9.7003689E-02 2.0914699E+05 4.5683003E+02 2.1291296E+01 2.0245499E+05 9.7003798E-02 9.7003798E-02 7.8398489E-28 2.7969367E-14 1.3036164E-15 7.5890193E-28 9.7003798E-02 9.7003299E-02 8.7049746E+04 2.9427398E+02 2.1273672E+01 8.4264473E+04 9.7003783E-02 9.7003747E-02 3.4955757E-28 -1.8690206E-14 4.8349490E-16 3.3837315E-28 9.7003783E-02 9.7003669E-02 3.2735634E-25 -5.5727915E-13 -1.2960049E-13 3.1688217E-25 9.7003767E-02 9.7003740E-02 2.6929547E-34 1.4434911E-17 -7.8056908E-18 2.6067908E-34 9.7003767E-02 9.7003700E-02
-49.479 3.4322678E-03 5.8408343E+06 2.4102153E+03 1.7803452E+02 5.6538853E+06 9.7004858E-02 9.7004858E-02 1.8208250E-26 1.3457985E-13 9.8241856E-15 1.7625459E-26 9.7004858E-02 9.7004805E-02 2.0911826E+05 4.5679849E+02 2.1293184E+01 2.0242484E+05 9.7004914E-02 9.7004914E-02 7.8387693E-28 2.7967431E-14 1.3037321E-15 7.5878870E-28 9.7004914E-02 9.7004415E-02 8.7031305E+04 2.9424251E+02 2.1275555E+01 8.4245653E+04 9.7004899E-02 9.7004863E-02 3.4968032E-28 -1.8693484E-14 4.8372642E-16 3.3848808E-28 9.7004899E-02 9.7004784E-02 3.2734874E-25 -5.5727242E-13 -1.2960011E-13 3.1687117E-25 9.7004883E-02 9.7004856E-02 2.6961886E-34 1.4446209E-17 -7.8055053E-18 2.6098913E-34 9.7004883E-02 9.7004816E-02
-48.979 3.4770218E-03 5.8372194E+06 2.4094620E+03 1.7807966E+02 5.6488318E+06 9.7031550E-02 9.7031550E-02 1.8198741E-26 1.3454438E-13 9.8259771E-15 1.7611408E-26 9.7031550E-02 9.7031498E-02 2.0843212E+05 4.5604473E+02 2.1338351E+01 2.0170517E+05 9.7031605E-02 9.7031605E-02 7.8129902E-28 2.7921176E-14 1.3064990E-15 7.5608523E-28 9.7031605E-02 9.7031114E-02 8.6591162E+04 2.9349037E+02 2.1320581E+01 8.3796541E+04 9.7031591E-02 9.7031554E-02 3.5263792E-28 -1.8772280E-14 4.8930954E-16 3.4125711E-28 9.7031591E-02 9.7031478E-02 3.2716708E-25 -5.5711141E-13 -1.2959150E-13 3.1660821E-25 9.7031575E-02 9.7031548E-02 2.7740118E-34 1.4715445E-17 -7.8010810E-18 2.6844849E-34 9.7031575E-02 9.7031509E-02
-48.479 3.5229162E-03 5.8335563E+06 2.4086983E+03 1.7812560E+02 5.6437064E+06 9.7058723E-02 9.7058723E-02 1.8189103E-26 1.3450843E-13 9.8278012E-15 1.7597153E-26 9.7058723E-02 9.7058672E-02 2.0773777E+05 4.5528066E+02 2.1384330E+01 2.0097694E+05 9.7058779E-02 9.7058779E-02 7.7869016E-28 2.7874287E-14 1.3093156E-15 7.5334956E-28 9.7058779E-02 9.7058294E-02 8.6146154E+04 2.9272791E+02 2.1366418E+01 8.3342556E+04 9.7058764E-02 9.7058727E-02 3.5564876E-28 -1.8852155E-14 4.9498899E-16 3.4407442E-28 9.7058764E-02 9.7058652E-02 3.2698300E-25 -5.5694820E-13 -1.2958281E-13 3.1634148E-25 9.7058748E-02 9.7058721E-02 2.8549785E-34 1.4990448E-17 -7.7964310E-18 2.7620650E-34 9.7058748E-02 9.7058683E-02
-47.979 3.5699939E-03 5.8298436E+06 2.4079241E+03 1.7817238E+02 5.6385072E+06 9.7086392E-02 9.7086392E-02 1.8179335E-26 1.3447198E-13 9.8296587E-15 1.7582690E-26 9.7086392E-02 9.7086342E-02 2.0703499E+05 4.5450599E+02 2.1431145E+01 2.0023995E+05 9.7086448E-02 9.7086448E-02 7.7604960E-28 2.7826746E-14 1.3121835E-15 7.5058094E-28 9.7086448E-02 9.7085970E-02 8.5696176E+04 2.9195489E+02 2.1413088E+01 8.2883594E+04 9.7086433E-02 9.7086396E-02 3.5871439E-28 -1.8933136E-14 5.0076735E-16 3.4694137E-28 9.7086433E-02 9.7086322E-02 3.2679643E-25 -5.5678272E-13 -1.2957403E-13 3.1607088E-25 9.7086416E-02 9.7086389E-02 2.9392372E-34 1.5271394E-17 -7.7915500E-18 2.8427712E-34 9.7086416E-02 9.7086352E-02
-47.479 3.6182999E-03 5.8260802E+06 2.4071389E+03 1.7822002E+02 5.6332323E+06 9.7114570E-02 9.7114570E-02 1.8169432E-26 1.3443501E-13 9.8315507E-15 1.7568014E-26 9.7114570E-02 9.7114521E-02 2.0632360E+05 4.5372047E+02 2.1478820E+01 1.9949401E+05 9.7114626E-02 9.7114626E-02 7.7337661E-28 2.7778537E-14 1.3151042E-15 7.4777860E-28 9.7114626E-02 9.7114156E-02 8.5241116E+04 2.9117101E+02 2.1460616E+01 8.2419548E+04 9.7114611E-02 9.7114574E-02 3.6183640E-28 -1.9015249E-14 5.0664730E-16 3.4985937E-28 9.7114611E-02 9.7114503E-02 3.2660730E-25 -5.5661492E-13 -1.2956517E-13 3.1579630E-25 9.7114595E-02 9.7114567E-02 3.0269447E-34 1.5558469E-17 -7.7864324E-18 2.9267506E-34 9.7114595E-02 9.7114531E-02
-46.979 3.6678816E-03 5.8222647E+06 2.4063427E+03 1.7826854E+02 5.6278797E+06 9.7143273E-02 9.7143273E-02 1.8159391E-26 1.3439752E-13 9.8334783E-15 1.7553117E-26 9.7143273E-02 9.7143225E-02 2.0560339E+05 4.5292379E+02 2.1527380E+01 1.9873890E+05 9.7143329E-02 9.7143329E-02 7.7067039E-28 2.7729642E-14 1.3180790E-15 7.4494176E-28 9.7143329E-02 9.7142867E-02 8.4780861E+04 2.9037600E+02 2.1509027E+01 8.1950306E+04 9.7143314E-02 9.7143277E-02 3.6501646E-28 -1.9098525E-14 5.1263162E-16 3.5282989E-28 9.7143314E-02 9.7143207E-02 3.2641555E-25 -5.5644473E-13 -1.2955623E-13 3.1551765E-25 9.7143298E-02 9.7143270E-02 3.1182667E-34 1.5851864E-17 -7.7810726E-18 3.0141590E-34 9.7143298E-02 9.7143235E-02
-46.479 3.7187885E-03 5.8183957E+06 2.4055350E+03 1.7831797E+02 5.6224474E+06 9.7172516E-02 9.7172516E-02 1.8149209E-26 1.3435949E-13 9.8354426E-15 1.7537995E-26 9.7172516E-02 9.7172470E-02 2.0487413E+05 4.5211566E+02 2.1576851E+01 1.9797439E+05 9.7172573E-02 9.7172573E-02 7.6793015E-28 2.7680044E-14 1.3211098E-15 7.4206957E-28 9.7172573E-02 9.7172119E-02 8.4315293E+04 2.8956956E+02 2.1558347E+01 8.1475755E+04 9.7172557E-02 9.7172520E-02 3.6825632E-28 -1.9182994E-14 5.1872321E-16 3.5585445E-28 9.7172557E-02 9.7172452E-02 3.2622112E-25 -5.5627209E-13 -1.2954720E-13 3.1523481E-25 9.7172541E-02 9.7172513E-02 3.2133785E-34 1.6151780E-17 -7.7754648E-18 3.1051605E-34 9.7172541E-02 9.7172479E-02
-45.979 3.7710731E-03 5.8144718E+06 2.4047155E+03 1.7836834E+02 5.6169331E+06 9.7202315E-02 9.7202315E-02 1.8138881E-26 1.3432090E-13 9.8374447E-15 1.7522641E-26 9.7202315E-02 9.7202271E-02 2.0413562E+05 4.5129578E+02 2.1627260E+01 1.9720027E+05 9.7202372E-02 9.7202372E-02 7.6515503E-28 2.7629722E-14 1.3241980E-15 7.3916120E-28 9.7202372E-02 9.7201928E-02 8.3844290E+04 2.8875138E+02 2.1608603E+01 8.0995776E+04 9.7202357E-02 9.7202320E-02 3.7155779E-28 -1.9268686E-14 5.2492506E-16 3.5893466E-28 9.7202357E-02 9.7202254E-02 3.2602392E-25 -5.5609694E-13 -1.2953808E-13 3.1494767E-25 9.7202341E-02 9.7202313E-02 3.3124652E-34 1.6458426E-17 -7.7696032E-18 3.1999289E-34 9.7202341E-02 9.7202280E-02
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