corems.encapsulation.nist_atoms

NIST-pinned atomic masses, abundances, and isotope lists.

Do not edit by hand. Regenerate with just nist-atoms. Public lookup API is corems.encapsulation.constant.Atoms.

Hydrogen aliases: H/1H, D/2H. Most-abundant nuclides are stored under both the bare symbol and the mass-number key (C and 12C). Formula strings use canonical keys only.

isotopes here is a list of rare-nuclide keys, or [None] when there is no heavy isotope. Do not use this dict as Atoms.isotopes (that value is [English name, rare keys]). English names are not a NIST field; see Atoms.element_names.

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   1"""NIST-pinned atomic masses, abundances, and isotope lists.
   2
   3Do not edit by hand. Regenerate with `just nist-atoms`.
   4Public lookup API is ``corems.encapsulation.constant.Atoms``.
   5
   6Hydrogen aliases: H/1H, D/2H.
   7Most-abundant nuclides are stored under both the bare symbol and the
   8mass-number key (C and 12C). Formula strings use canonical keys only.
   9
  10``isotopes`` here is a list of rare-nuclide keys, or ``[None]`` when there
  11is no heavy isotope. Do not use this dict as ``Atoms.isotopes`` (that
  12value is ``[English name, rare keys]``). English names are not a NIST
  13field; see ``Atoms.element_names``.
  14"""
  15
  16NIST_TABLE_ID = 'Coursey et al. Atomic Weights and Isotopic Compositions version 4.1. https://www.nist.gov/pml/atomic-weights-and-isotopic-compositions-relative-atomic-masses'
  17NIST_DUMP_URL = 'https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=&ascii=ascii2&isotype=all'
  18NIST_RETRIEVED = '2026-09-02'
  19
  20atomic_masses = {
  21    'C': 12.0000000,
  22    'H': 1.00782503223,
  23    'O': 15.99491461957,
  24    'N': 14.00307400443,
  25    'P': 30.97376199842,
  26    'S': 31.9720711744,
  27    'F': 18.99840316273,
  28    'Cl': 34.968852682,
  29    'Br': 78.9183376,
  30    'I': 126.9044719,
  31    'Li': 7.0160034366,
  32    'Na': 22.9897692820,
  33    'K': 38.9637064864,
  34    'Rb': 84.9117897379,
  35    'Cs': 132.9054519610,
  36    'He': 4.00260325413,
  37    'Ne': 19.9924401762,
  38    'Ar': 39.9623831237,
  39    'Kr': 83.9114977282,
  40    'Xe': 131.9041550856,
  41    'Be': 9.012183065,
  42    'B': 11.00930536,
  43    'Mg': 23.985041697,
  44    'Al': 26.98153853,
  45    'Si': 27.97692653465,
  46    'Ca': 39.962590863,
  47    'Sc': 44.95590828,
  48    'Ti': 47.94794198,
  49    'V': 50.94395704,
  50    'Cr': 51.94050623,
  51    'Mn': 54.93804391,
  52    'Fe': 55.93493633,
  53    'Co': 58.93319429,
  54    'Ni': 57.93534241,
  55    'Cu': 62.92959772,
  56    'Zn': 63.92914201,
  57    'Ga': 68.9255735,
  58    'Ge': 73.921177761,
  59    'As': 74.92159457,
  60    'Se': 79.9165218,
  61    'Sr': 87.9056125,
  62    'Y': 88.9058403,
  63    'Zr': 89.9046977,
  64    'Nb': 92.9063730,
  65    'Mo': 97.90540482,
  66    'Ru': 101.9043441,
  67    'Rh': 102.9054980,
  68    'Pd': 105.9034804,
  69    'Ag': 106.9050916,
  70    'Cd': 113.90336509,
  71    'In': 114.903878776,
  72    'Sn': 119.90220163,
  73    'Sb': 120.9038120,
  74    'Te': 129.906222748,
  75    'Ba': 137.90524700,
  76    'La': 138.9063563,
  77    'Hf': 179.9465570,
  78    'Ta': 180.9479958,
  79    'W': 183.95093092,
  80    'Re': 186.9557501,
  81    'Os': 191.9614770,
  82    'Ir': 192.9629216,
  83    'Pt': 194.9647917,
  84    'Au': 196.96656879,
  85    'Hg': 201.97064340,
  86    'Tl': 204.9744278,
  87    'Pb': 207.9766525,
  88    'Bi': 208.9803991,
  89    'Ce': 139.9054431,
  90    'Pr': 140.9076576,
  91    'Nd': 141.9077290,
  92    'Sm': 151.9197397,
  93    'Eu': 152.9212380,
  94    'Gd': 157.9241123,
  95    'Tb': 158.9253547,
  96    'Dy': 163.9291819,
  97    'Ho': 164.9303288,
  98    'Er': 165.9302995,
  99    'Tm': 168.9342179,
 100    'Yb': 173.9388664,
 101    'Lu': 174.9407752,
 102    'Th': 232.0380558,
 103    'Pa': 231.0358842,
 104    'U': 238.0507884,
 105    'D': 2.01410177812,
 106    '3He': 3.0160293201,
 107    '6Li': 6.0151228874,
 108    '10B': 10.01293695,
 109    '13C': 13.00335483507,
 110    '15N': 15.00010889888,
 111    '17O': 16.99913175650,
 112    '18O': 17.99915961286,
 113    '21Ne': 20.993846685,
 114    '22Ne': 21.991385114,
 115    '25Mg': 24.985836976,
 116    '26Mg': 25.982592968,
 117    '29Si': 28.97649466490,
 118    '30Si': 29.973770136,
 119    '33S': 32.9714589098,
 120    '34S': 33.967867004,
 121    '36Ar': 35.967545105,
 122    '36S': 35.96708071,
 123    '37Cl': 36.965902602,
 124    '38Ar': 37.96273211,
 125    '40K': 39.963998166,
 126    '41K': 40.9618252579,
 127    '42Ca': 41.95861783,
 128    '43Ca': 42.95876644,
 129    '44Ca': 43.95548156,
 130    '46Ca': 45.9536890,
 131    '46Ti': 45.95262772,
 132    '47Ti': 46.95175879,
 133    '48Ca': 47.95252276,
 134    '49Ti': 48.94786568,
 135    '50Cr': 49.94604183,
 136    '50Ti': 49.94478689,
 137    '50V': 49.94715601,
 138    '53Cr': 52.94064815,
 139    '54Cr': 53.93887916,
 140    '54Fe': 53.93960899,
 141    '57Fe': 56.93539284,
 142    '58Fe': 57.93327443,
 143    '60Ni': 59.93078588,
 144    '61Ni': 60.93105557,
 145    '62Ni': 61.92834537,
 146    '64Ni': 63.92796682,
 147    '65Cu': 64.92778970,
 148    '66Zn': 65.92603381,
 149    '67Zn': 66.92712775,
 150    '68Zn': 67.92484455,
 151    '70Ge': 69.92424875,
 152    '70Zn': 69.9253192,
 153    '71Ga': 70.92470258,
 154    '72Ge': 71.922075826,
 155    '73Ge': 72.923458956,
 156    '74Se': 73.922475934,
 157    '76Ge': 75.921402726,
 158    '76Se': 75.919213704,
 159    '77Se': 76.919914154,
 160    '78Kr': 77.92036494,
 161    '78Se': 77.91730928,
 162    '80Kr': 79.91637808,
 163    '81Br': 80.9162897,
 164    '82Kr': 81.91348273,
 165    '82Se': 81.9166995,
 166    '83Kr': 82.91412716,
 167    '84Sr': 83.9134191,
 168    '86Kr': 85.9106106269,
 169    '86Sr': 85.9092606,
 170    '87Rb': 86.9091805310,
 171    '87Sr': 86.9088775,
 172    '91Zr': 90.9056396,
 173    '92Mo': 91.90680796,
 174    '92Zr': 91.9050347,
 175    '94Mo': 93.90508490,
 176    '94Zr': 93.9063108,
 177    '95Mo': 94.90583877,
 178    '96Mo': 95.90467612,
 179    '96Ru': 95.90759025,
 180    '96Zr': 95.9082714,
 181    '97Mo': 96.90601812,
 182    '98Ru': 97.9052868,
 183    '99Ru': 98.9059341,
 184    '100Mo': 99.9074718,
 185    '100Ru': 99.9042143,
 186    '101Ru': 100.9055769,
 187    '102Pd': 101.9056022,
 188    '104Pd': 103.9040305,
 189    '104Ru': 103.9054275,
 190    '105Pd': 104.9050796,
 191    '106Cd': 105.9064599,
 192    '108Cd': 107.9041834,
 193    '108Pd': 107.9038916,
 194    '109Ag': 108.9047553,
 195    '110Cd': 109.90300661,
 196    '110Pd': 109.90517220,
 197    '111Cd': 110.90418287,
 198    '112Cd': 111.90276287,
 199    '112Sn': 111.90482387,
 200    '113Cd': 112.90440813,
 201    '113In': 112.90406184,
 202    '114Sn': 113.9027827,
 203    '115Sn': 114.903344699,
 204    '116Cd': 115.90476315,
 205    '116Sn': 115.90174280,
 206    '117Sn': 116.90295398,
 207    '118Sn': 117.90160657,
 208    '119Sn': 118.90331117,
 209    '120Te': 119.9040593,
 210    '122Sn': 121.9034438,
 211    '122Te': 121.9030435,
 212    '123Sb': 122.9042132,
 213    '123Te': 122.9042698,
 214    '124Sn': 123.9052766,
 215    '124Te': 123.9028171,
 216    '124Xe': 123.9058920,
 217    '125Te': 124.9044299,
 218    '126Te': 125.9033109,
 219    '126Xe': 125.9042983,
 220    '128Te': 127.90446128,
 221    '128Xe': 127.9035310,
 222    '129Xe': 128.9047808611,
 223    '130Ba': 129.9063207,
 224    '130Xe': 129.903509349,
 225    '131Xe': 130.90508406,
 226    '132Ba': 131.9050611,
 227    '134Ba': 133.90450818,
 228    '134Xe': 133.90539466,
 229    '135Ba': 134.90568838,
 230    '136Ba': 135.90457573,
 231    '136Ce': 135.90712921,
 232    '136Xe': 135.907214484,
 233    '137Ba': 136.90582714,
 234    '138Ce': 137.905991,
 235    '138La': 137.9071149,
 236    '142Ce': 141.9092504,
 237    '143Nd': 142.9098200,
 238    '144Nd': 143.9100930,
 239    '144Sm': 143.9120065,
 240    '145Nd': 144.9125793,
 241    '146Nd': 145.9131226,
 242    '147Sm': 146.9149044,
 243    '148Nd': 147.9168993,
 244    '148Sm': 147.9148292,
 245    '149Sm': 148.9171921,
 246    '150Nd': 149.9209022,
 247    '150Sm': 149.9172829,
 248    '151Eu': 150.9198578,
 249    '152Gd': 151.9197995,
 250    '154Gd': 153.9208741,
 251    '154Sm': 153.9222169,
 252    '155Gd': 154.9226305,
 253    '156Dy': 155.9242847,
 254    '156Gd': 155.9221312,
 255    '157Gd': 156.9239686,
 256    '158Dy': 157.9244159,
 257    '160Dy': 159.9252046,
 258    '160Gd': 159.9270624,
 259    '161Dy': 160.9269405,
 260    '162Dy': 161.9268056,
 261    '162Er': 161.9287884,
 262    '163Dy': 162.9287383,
 263    '164Er': 163.9292088,
 264    '167Er': 166.9320546,
 265    '168Er': 167.9323767,
 266    '168Yb': 167.9338896,
 267    '170Er': 169.9354702,
 268    '170Yb': 169.9347664,
 269    '171Yb': 170.9363302,
 270    '172Yb': 171.9363859,
 271    '173Yb': 172.9382151,
 272    '174Hf': 173.9400461,
 273    '176Hf': 175.9414076,
 274    '176Lu': 175.9426897,
 275    '176Yb': 175.9425764,
 276    '177Hf': 176.9432277,
 277    '178Hf': 177.9437058,
 278    '179Hf': 178.9458232,
 279    '180Ta': 179.9474648,
 280    '180W': 179.9467108,
 281    '182W': 181.94820394,
 282    '183W': 182.95022275,
 283    '184Os': 183.9524885,
 284    '185Re': 184.9529545,
 285    '186Os': 185.9538350,
 286    '186W': 185.9543628,
 287    '187Os': 186.9557474,
 288    '188Os': 187.9558352,
 289    '189Os': 188.9581442,
 290    '190Os': 189.9584437,
 291    '190Pt': 189.9599297,
 292    '191Ir': 190.9605893,
 293    '192Pt': 191.9610387,
 294    '194Pt': 193.9626809,
 295    '196Hg': 195.9658326,
 296    '196Pt': 195.96495209,
 297    '198Hg': 197.96676860,
 298    '198Pt': 197.9678949,
 299    '199Hg': 198.96828064,
 300    '200Hg': 199.96832659,
 301    '201Hg': 200.97030284,
 302    '203Tl': 202.9723446,
 303    '204Hg': 203.97349398,
 304    '204Pb': 203.9730440,
 305    '206Pb': 205.9744657,
 306    '207Pb': 206.9758973,
 307    '234U': 234.0409523,
 308    '235U': 235.0439301,
 309    '102Ru': 101.9043441,
 310    '103Rh': 102.9054980,
 311    '106Pd': 105.9034804,
 312    '107Ag': 106.9050916,
 313    '114Cd': 113.90336509,
 314    '115In': 114.903878776,
 315    '11B': 11.00930536,
 316    '120Sn': 119.90220163,
 317    '121Sb': 120.9038120,
 318    '127I': 126.9044719,
 319    '12C': 12.0000000,
 320    '130Te': 129.906222748,
 321    '132Xe': 131.9041550856,
 322    '133Cs': 132.9054519610,
 323    '138Ba': 137.90524700,
 324    '139La': 138.9063563,
 325    '140Ce': 139.9054431,
 326    '141Pr': 140.9076576,
 327    '142Nd': 141.9077290,
 328    '14N': 14.00307400443,
 329    '152Sm': 151.9197397,
 330    '153Eu': 152.9212380,
 331    '158Gd': 157.9241123,
 332    '159Tb': 158.9253547,
 333    '164Dy': 163.9291819,
 334    '165Ho': 164.9303288,
 335    '166Er': 165.9302995,
 336    '169Tm': 168.9342179,
 337    '16O': 15.99491461957,
 338    '174Yb': 173.9388664,
 339    '175Lu': 174.9407752,
 340    '180Hf': 179.9465570,
 341    '181Ta': 180.9479958,
 342    '184W': 183.95093092,
 343    '187Re': 186.9557501,
 344    '192Os': 191.9614770,
 345    '193Ir': 192.9629216,
 346    '195Pt': 194.9647917,
 347    '197Au': 196.96656879,
 348    '19F': 18.99840316273,
 349    '1H': 1.00782503223,
 350    '202Hg': 201.97064340,
 351    '205Tl': 204.9744278,
 352    '208Pb': 207.9766525,
 353    '209Bi': 208.9803991,
 354    '20Ne': 19.9924401762,
 355    '231Pa': 231.0358842,
 356    '232Th': 232.0380558,
 357    '238U': 238.0507884,
 358    '23Na': 22.9897692820,
 359    '24Mg': 23.985041697,
 360    '27Al': 26.98153853,
 361    '28Si': 27.97692653465,
 362    '2H': 2.01410177812,
 363    '31P': 30.97376199842,
 364    '32S': 31.9720711744,
 365    '35Cl': 34.968852682,
 366    '39K': 38.9637064864,
 367    '40Ar': 39.9623831237,
 368    '40Ca': 39.962590863,
 369    '45Sc': 44.95590828,
 370    '48Ti': 47.94794198,
 371    '4He': 4.00260325413,
 372    '51V': 50.94395704,
 373    '52Cr': 51.94050623,
 374    '55Mn': 54.93804391,
 375    '56Fe': 55.93493633,
 376    '58Ni': 57.93534241,
 377    '59Co': 58.93319429,
 378    '63Cu': 62.92959772,
 379    '64Zn': 63.92914201,
 380    '69Ga': 68.9255735,
 381    '74Ge': 73.921177761,
 382    '75As': 74.92159457,
 383    '79Br': 78.9183376,
 384    '7Li': 7.0160034366,
 385    '80Se': 79.9165218,
 386    '84Kr': 83.9114977282,
 387    '85Rb': 84.9117897379,
 388    '88Sr': 87.9056125,
 389    '89Y': 88.9058403,
 390    '90Zr': 89.9046977,
 391    '93Nb': 92.9063730,
 392    '98Mo': 97.90540482,
 393    '9Be': 9.012183065,
 394}
 395
 396isotopic_abundance = {
 397    'C': 0.9893,
 398    'H': 0.999885,
 399    'O': 0.99757,
 400    'N': 0.99636,
 401    'P': 1,
 402    'S': 0.9499,
 403    'F': 1,
 404    'Cl': 0.7576,
 405    'Br': 0.5069,
 406    'I': 1,
 407    'Li': 0.9241,
 408    'Na': 1,
 409    'K': 0.932581,
 410    'Rb': 0.7217,
 411    'Cs': 1,
 412    'He': 0.99999866,
 413    'Ne': 0.9048,
 414    'Ar': 0.996035,
 415    'Kr': 0.56987,
 416    'Xe': 0.269086,
 417    'Be': 1,
 418    'B': 0.801,
 419    'Mg': 0.7899,
 420    'Al': 1,
 421    'Si': 0.92223,
 422    'Ca': 0.96941,
 423    'Sc': 1,
 424    'Ti': 0.7372,
 425    'V': 0.99750,
 426    'Cr': 0.83789,
 427    'Mn': 1,
 428    'Fe': 0.91754,
 429    'Co': 1,
 430    'Ni': 0.68077,
 431    'Cu': 0.6915,
 432    'Zn': 0.4917,
 433    'Ga': 0.60108,
 434    'Ge': 0.3650,
 435    'As': 1,
 436    'Se': 0.4961,
 437    'Sr': 0.8258,
 438    'Y': 1,
 439    'Zr': 0.5145,
 440    'Nb': 1,
 441    'Mo': 0.2439,
 442    'Ru': 0.3155,
 443    'Rh': 1,
 444    'Pd': 0.2733,
 445    'Ag': 0.51839,
 446    'Cd': 0.2873,
 447    'In': 0.9571,
 448    'Sn': 0.3258,
 449    'Sb': 0.5721,
 450    'Te': 0.3408,
 451    'Ba': 0.71698,
 452    'La': 0.9991119,
 453    'Hf': 0.3508,
 454    'Ta': 0.9998799,
 455    'W': 0.3064,
 456    'Re': 0.6260,
 457    'Os': 0.4078,
 458    'Ir': 0.627,
 459    'Pt': 0.3378,
 460    'Au': 1,
 461    'Hg': 0.2986,
 462    'Tl': 0.7048,
 463    'Pb': 0.524,
 464    'Bi': 1,
 465    'Ce': 0.88450,
 466    'Pr': 1,
 467    'Nd': 0.27152,
 468    'Sm': 0.2675,
 469    'Eu': 0.5219,
 470    'Gd': 0.2484,
 471    'Tb': 1,
 472    'Dy': 0.28260,
 473    'Ho': 1,
 474    'Er': 0.33503,
 475    'Tm': 1,
 476    'Yb': 0.32026,
 477    'Lu': 0.97401,
 478    'Th': 1,
 479    'Pa': 1,
 480    'U': 0.992742,
 481    'D': 0.000115,
 482    '3He': 0.00000134,
 483    '6Li': 0.0759,
 484    '10B': 0.199,
 485    '13C': 0.0107,
 486    '15N': 0.00364,
 487    '17O': 0.00038,
 488    '18O': 0.00205,
 489    '21Ne': 0.0027,
 490    '22Ne': 0.0925,
 491    '25Mg': 0.1000,
 492    '26Mg': 0.1101,
 493    '29Si': 0.04685,
 494    '30Si': 0.03092,
 495    '33S': 0.0075,
 496    '34S': 0.0425,
 497    '36Ar': 0.003336,
 498    '36S': 0.0001,
 499    '37Cl': 0.2424,
 500    '38Ar': 0.000629,
 501    '40K': 0.000117,
 502    '41K': 0.067302,
 503    '42Ca': 0.00647,
 504    '43Ca': 0.00135,
 505    '44Ca': 0.02086,
 506    '46Ca': 0.00004,
 507    '46Ti': 0.0825,
 508    '47Ti': 0.0744,
 509    '48Ca': 0.00187,
 510    '49Ti': 0.0541,
 511    '50Cr': 0.04345,
 512    '50Ti': 0.0518,
 513    '50V': 0.00250,
 514    '53Cr': 0.09501,
 515    '54Cr': 0.02365,
 516    '54Fe': 0.05845,
 517    '57Fe': 0.02119,
 518    '58Fe': 0.00282,
 519    '60Ni': 0.26223,
 520    '61Ni': 0.011399,
 521    '62Ni': 0.036346,
 522    '64Ni': 0.009255,
 523    '65Cu': 0.3085,
 524    '66Zn': 0.2773,
 525    '67Zn': 0.0404,
 526    '68Zn': 0.1845,
 527    '70Ge': 0.2057,
 528    '70Zn': 0.0061,
 529    '71Ga': 0.39892,
 530    '72Ge': 0.2745,
 531    '73Ge': 0.0775,
 532    '74Se': 0.0089,
 533    '76Ge': 0.0773,
 534    '76Se': 0.0937,
 535    '77Se': 0.0763,
 536    '78Kr': 0.00355,
 537    '78Se': 0.2377,
 538    '80Kr': 0.02286,
 539    '81Br': 0.4931,
 540    '82Kr': 0.11593,
 541    '82Se': 0.0873,
 542    '83Kr': 0.11500,
 543    '84Sr': 0.0056,
 544    '86Kr': 0.17279,
 545    '86Sr': 0.0986,
 546    '87Rb': 0.2783,
 547    '87Sr': 0.0700,
 548    '91Zr': 0.1122,
 549    '92Mo': 0.1453,
 550    '92Zr': 0.1715,
 551    '94Mo': 0.0915,
 552    '94Zr': 0.1738,
 553    '95Mo': 0.1584,
 554    '96Mo': 0.1667,
 555    '96Ru': 0.0554,
 556    '96Zr': 0.0280,
 557    '97Mo': 0.0960,
 558    '98Ru': 0.0187,
 559    '99Ru': 0.1276,
 560    '100Mo': 0.0982,
 561    '100Ru': 0.1260,
 562    '101Ru': 0.1706,
 563    '102Pd': 0.0102,
 564    '104Pd': 0.1114,
 565    '104Ru': 0.1862,
 566    '105Pd': 0.2233,
 567    '106Cd': 0.0125,
 568    '108Cd': 0.0089,
 569    '108Pd': 0.2646,
 570    '109Ag': 0.48161,
 571    '110Cd': 0.1249,
 572    '110Pd': 0.1172,
 573    '111Cd': 0.1280,
 574    '112Cd': 0.2413,
 575    '112Sn': 0.0097,
 576    '113Cd': 0.1222,
 577    '113In': 0.0429,
 578    '114Sn': 0.0066,
 579    '115Sn': 0.0034,
 580    '116Cd': 0.0749,
 581    '116Sn': 0.1454,
 582    '117Sn': 0.0768,
 583    '118Sn': 0.2422,
 584    '119Sn': 0.0859,
 585    '120Te': 0.0009,
 586    '122Sn': 0.0463,
 587    '122Te': 0.0255,
 588    '123Sb': 0.4279,
 589    '123Te': 0.0089,
 590    '124Sn': 0.0579,
 591    '124Te': 0.0474,
 592    '124Xe': 0.000952,
 593    '125Te': 0.0707,
 594    '126Te': 0.1884,
 595    '126Xe': 0.000890,
 596    '128Te': 0.3174,
 597    '128Xe': 0.019102,
 598    '129Xe': 0.264006,
 599    '130Ba': 0.00106,
 600    '130Xe': 0.040710,
 601    '131Xe': 0.212324,
 602    '132Ba': 0.00101,
 603    '134Ba': 0.02417,
 604    '134Xe': 0.104357,
 605    '135Ba': 0.06592,
 606    '136Ba': 0.07854,
 607    '136Ce': 0.00185,
 608    '136Xe': 0.088573,
 609    '137Ba': 0.11232,
 610    '138Ce': 0.00251,
 611    '138La': 0.0008881,
 612    '142Ce': 0.11114,
 613    '143Nd': 0.12174,
 614    '144Nd': 0.23798,
 615    '144Sm': 0.0307,
 616    '145Nd': 0.08293,
 617    '146Nd': 0.17189,
 618    '147Sm': 0.1499,
 619    '148Nd': 0.05756,
 620    '148Sm': 0.1124,
 621    '149Sm': 0.1382,
 622    '150Nd': 0.05638,
 623    '150Sm': 0.0738,
 624    '151Eu': 0.4781,
 625    '152Gd': 0.0020,
 626    '154Gd': 0.0218,
 627    '154Sm': 0.2275,
 628    '155Gd': 0.1480,
 629    '156Dy': 0.00056,
 630    '156Gd': 0.2047,
 631    '157Gd': 0.1565,
 632    '158Dy': 0.00095,
 633    '160Dy': 0.02329,
 634    '160Gd': 0.2186,
 635    '161Dy': 0.18889,
 636    '162Dy': 0.25475,
 637    '162Er': 0.00139,
 638    '163Dy': 0.24896,
 639    '164Er': 0.01601,
 640    '167Er': 0.22869,
 641    '168Er': 0.26978,
 642    '168Yb': 0.00123,
 643    '170Er': 0.14910,
 644    '170Yb': 0.02982,
 645    '171Yb': 0.1409,
 646    '172Yb': 0.2168,
 647    '173Yb': 0.16103,
 648    '174Hf': 0.0016,
 649    '176Hf': 0.0526,
 650    '176Lu': 0.02599,
 651    '176Yb': 0.12996,
 652    '177Hf': 0.1860,
 653    '178Hf': 0.2728,
 654    '179Hf': 0.1362,
 655    '180Ta': 0.0001201,
 656    '180W': 0.0012,
 657    '182W': 0.2650,
 658    '183W': 0.1431,
 659    '184Os': 0.0002,
 660    '185Re': 0.3740,
 661    '186Os': 0.0159,
 662    '186W': 0.2843,
 663    '187Os': 0.0196,
 664    '188Os': 0.1324,
 665    '189Os': 0.1615,
 666    '190Os': 0.2626,
 667    '190Pt': 0.00012,
 668    '191Ir': 0.373,
 669    '192Pt': 0.00782,
 670    '194Pt': 0.3286,
 671    '196Hg': 0.0015,
 672    '196Pt': 0.2521,
 673    '198Hg': 0.0997,
 674    '198Pt': 0.07356,
 675    '199Hg': 0.1687,
 676    '200Hg': 0.2310,
 677    '201Hg': 0.1318,
 678    '203Tl': 0.2952,
 679    '204Hg': 0.0687,
 680    '204Pb': 0.014,
 681    '206Pb': 0.241,
 682    '207Pb': 0.221,
 683    '234U': 0.000054,
 684    '235U': 0.007204,
 685    '102Ru': 0.3155,
 686    '103Rh': 1,
 687    '106Pd': 0.2733,
 688    '107Ag': 0.51839,
 689    '114Cd': 0.2873,
 690    '115In': 0.9571,
 691    '11B': 0.801,
 692    '120Sn': 0.3258,
 693    '121Sb': 0.5721,
 694    '127I': 1,
 695    '12C': 0.9893,
 696    '130Te': 0.3408,
 697    '132Xe': 0.269086,
 698    '133Cs': 1,
 699    '138Ba': 0.71698,
 700    '139La': 0.9991119,
 701    '140Ce': 0.88450,
 702    '141Pr': 1,
 703    '142Nd': 0.27152,
 704    '14N': 0.99636,
 705    '152Sm': 0.2675,
 706    '153Eu': 0.5219,
 707    '158Gd': 0.2484,
 708    '159Tb': 1,
 709    '164Dy': 0.28260,
 710    '165Ho': 1,
 711    '166Er': 0.33503,
 712    '169Tm': 1,
 713    '16O': 0.99757,
 714    '174Yb': 0.32026,
 715    '175Lu': 0.97401,
 716    '180Hf': 0.3508,
 717    '181Ta': 0.9998799,
 718    '184W': 0.3064,
 719    '187Re': 0.6260,
 720    '192Os': 0.4078,
 721    '193Ir': 0.627,
 722    '195Pt': 0.3378,
 723    '197Au': 1,
 724    '19F': 1,
 725    '1H': 0.999885,
 726    '202Hg': 0.2986,
 727    '205Tl': 0.7048,
 728    '208Pb': 0.524,
 729    '209Bi': 1,
 730    '20Ne': 0.9048,
 731    '231Pa': 1,
 732    '232Th': 1,
 733    '238U': 0.992742,
 734    '23Na': 1,
 735    '24Mg': 0.7899,
 736    '27Al': 1,
 737    '28Si': 0.92223,
 738    '2H': 0.000115,
 739    '31P': 1,
 740    '32S': 0.9499,
 741    '35Cl': 0.7576,
 742    '39K': 0.932581,
 743    '40Ar': 0.996035,
 744    '40Ca': 0.96941,
 745    '45Sc': 1,
 746    '48Ti': 0.7372,
 747    '4He': 0.99999866,
 748    '51V': 0.99750,
 749    '52Cr': 0.83789,
 750    '55Mn': 1,
 751    '56Fe': 0.91754,
 752    '58Ni': 0.68077,
 753    '59Co': 1,
 754    '63Cu': 0.6915,
 755    '64Zn': 0.4917,
 756    '69Ga': 0.60108,
 757    '74Ge': 0.3650,
 758    '75As': 1,
 759    '79Br': 0.5069,
 760    '7Li': 0.9241,
 761    '80Se': 0.4961,
 762    '84Kr': 0.56987,
 763    '85Rb': 0.7217,
 764    '88Sr': 0.8258,
 765    '89Y': 1,
 766    '90Zr': 0.5145,
 767    '93Nb': 1,
 768    '98Mo': 0.2439,
 769    '9Be': 1,
 770}
 771
 772isotopes = {
 773    'C': ['13C'],
 774    'H': ['D'],
 775    'O': ['17O', '18O'],
 776    'N': ['15N'],
 777    'P': [None],
 778    'S': ['33S', '34S', '36S'],
 779    'F': [None],
 780    'Cl': ['37Cl'],
 781    'Br': ['81Br'],
 782    'I': [None],
 783    'Li': ['6Li'],
 784    'Na': [None],
 785    'K': ['40K', '41K'],
 786    'Rb': ['87Rb'],
 787    'Cs': [None],
 788    'He': ['3He'],
 789    'Ne': ['21Ne', '22Ne'],
 790    'Ar': ['36Ar', '38Ar'],
 791    'Kr': ['78Kr', '80Kr', '82Kr', '83Kr', '86Kr'],
 792    'Xe': ['124Xe', '126Xe', '128Xe', '129Xe', '130Xe', '131Xe', '134Xe', '136Xe'],
 793    'Be': [None],
 794    'B': ['10B'],
 795    'Mg': ['25Mg', '26Mg'],
 796    'Al': [None],
 797    'Si': ['29Si', '30Si'],
 798    'Ca': ['42Ca', '43Ca', '44Ca', '46Ca', '48Ca'],
 799    'Sc': [None],
 800    'Ti': ['46Ti', '47Ti', '49Ti', '50Ti'],
 801    'V': ['50V'],
 802    'Cr': ['50Cr', '53Cr', '54Cr'],
 803    'Mn': [None],
 804    'Fe': ['54Fe', '57Fe', '58Fe'],
 805    'Co': [None],
 806    'Ni': ['60Ni', '61Ni', '62Ni', '64Ni'],
 807    'Cu': ['65Cu'],
 808    'Zn': ['66Zn', '67Zn', '68Zn', '70Zn'],
 809    'Ga': ['71Ga'],
 810    'Ge': ['70Ge', '72Ge', '73Ge', '76Ge'],
 811    'As': [None],
 812    'Se': ['74Se', '76Se', '77Se', '78Se', '82Se'],
 813    'Sr': ['84Sr', '86Sr', '87Sr'],
 814    'Y': [None],
 815    'Zr': ['91Zr', '92Zr', '94Zr', '96Zr'],
 816    'Nb': [None],
 817    'Mo': ['92Mo', '94Mo', '95Mo', '96Mo', '97Mo', '100Mo'],
 818    'Ru': ['96Ru', '98Ru', '99Ru', '100Ru', '101Ru', '104Ru'],
 819    'Rh': [None],
 820    'Pd': ['102Pd', '104Pd', '105Pd', '108Pd', '110Pd'],
 821    'Ag': ['109Ag'],
 822    'Cd': ['106Cd', '108Cd', '110Cd', '111Cd', '112Cd', '113Cd', '116Cd'],
 823    'In': ['113In'],
 824    'Sn': ['112Sn', '114Sn', '115Sn', '116Sn', '117Sn', '118Sn', '119Sn', '122Sn', '124Sn'],
 825    'Sb': ['123Sb'],
 826    'Te': ['120Te', '122Te', '123Te', '124Te', '125Te', '126Te', '128Te'],
 827    'Ba': ['130Ba', '132Ba', '134Ba', '135Ba', '136Ba', '137Ba'],
 828    'La': ['138La'],
 829    'Hf': ['174Hf', '176Hf', '177Hf', '178Hf', '179Hf'],
 830    'Ta': ['180Ta'],
 831    'W': ['180W', '182W', '183W', '186W'],
 832    'Re': ['185Re'],
 833    'Os': ['184Os', '186Os', '187Os', '188Os', '189Os', '190Os'],
 834    'Ir': ['191Ir'],
 835    'Pt': ['190Pt', '192Pt', '194Pt', '196Pt', '198Pt'],
 836    'Au': [None],
 837    'Hg': ['196Hg', '198Hg', '199Hg', '200Hg', '201Hg', '204Hg'],
 838    'Tl': ['203Tl'],
 839    'Pb': ['204Pb', '206Pb', '207Pb'],
 840    'Bi': [None],
 841    'Ce': ['136Ce', '138Ce', '142Ce'],
 842    'Pr': [None],
 843    'Nd': ['143Nd', '144Nd', '145Nd', '146Nd', '148Nd', '150Nd'],
 844    'Sm': ['144Sm', '147Sm', '148Sm', '149Sm', '150Sm', '154Sm'],
 845    'Eu': ['151Eu'],
 846    'Gd': ['152Gd', '154Gd', '155Gd', '156Gd', '157Gd', '160Gd'],
 847    'Tb': [None],
 848    'Dy': ['156Dy', '158Dy', '160Dy', '161Dy', '162Dy', '163Dy'],
 849    'Ho': [None],
 850    'Er': ['162Er', '164Er', '167Er', '168Er', '170Er'],
 851    'Tm': [None],
 852    'Yb': ['168Yb', '170Yb', '171Yb', '172Yb', '173Yb', '176Yb'],
 853    'Lu': ['176Lu'],
 854    'Th': [None],
 855    'Pa': [None],
 856    'U': ['234U', '235U'],
 857}
 858
 859atoms_order = [
 860    'C',
 861    'H',
 862    'O',
 863    'N',
 864    'P',
 865    'S',
 866    'F',
 867    'Cl',
 868    'Br',
 869    'I',
 870    'Li',
 871    'Na',
 872    'K',
 873    'Rb',
 874    'Cs',
 875    'He',
 876    'Ne',
 877    'Ar',
 878    'Kr',
 879    'Xe',
 880    'Be',
 881    'B',
 882    'Mg',
 883    'Al',
 884    'Si',
 885    'Ca',
 886    'Sc',
 887    'Ti',
 888    'V',
 889    'Cr',
 890    'Mn',
 891    'Fe',
 892    'Co',
 893    'Ni',
 894    'Cu',
 895    'Zn',
 896    'Ga',
 897    'Ge',
 898    'As',
 899    'Se',
 900    'Sr',
 901    'Y',
 902    'Zr',
 903    'Nb',
 904    'Mo',
 905    'Ru',
 906    'Rh',
 907    'Pd',
 908    'Ag',
 909    'Cd',
 910    'In',
 911    'Sn',
 912    'Sb',
 913    'Te',
 914    'Ba',
 915    'La',
 916    'Hf',
 917    'Ta',
 918    'W',
 919    'Re',
 920    'Os',
 921    'Ir',
 922    'Pt',
 923    'Au',
 924    'Hg',
 925    'Tl',
 926    'Pb',
 927    'Bi',
 928    'Ce',
 929    'Pr',
 930    'Nd',
 931    'Sm',
 932    'Eu',
 933    'Gd',
 934    'Tb',
 935    'Dy',
 936    'Ho',
 937    'Er',
 938    'Tm',
 939    'Yb',
 940    'Lu',
 941    'Th',
 942    'Pa',
 943    'U',
 944    'D',
 945    '3He',
 946    '6Li',
 947    '10B',
 948    '13C',
 949    '15N',
 950    '17O',
 951    '18O',
 952    '21Ne',
 953    '22Ne',
 954    '25Mg',
 955    '26Mg',
 956    '29Si',
 957    '30Si',
 958    '33S',
 959    '34S',
 960    '36Ar',
 961    '36S',
 962    '37Cl',
 963    '38Ar',
 964    '40K',
 965    '41K',
 966    '42Ca',
 967    '43Ca',
 968    '44Ca',
 969    '46Ca',
 970    '46Ti',
 971    '47Ti',
 972    '48Ca',
 973    '49Ti',
 974    '50Cr',
 975    '50Ti',
 976    '50V',
 977    '53Cr',
 978    '54Cr',
 979    '54Fe',
 980    '57Fe',
 981    '58Fe',
 982    '60Ni',
 983    '61Ni',
 984    '62Ni',
 985    '64Ni',
 986    '65Cu',
 987    '66Zn',
 988    '67Zn',
 989    '68Zn',
 990    '70Ge',
 991    '70Zn',
 992    '71Ga',
 993    '72Ge',
 994    '73Ge',
 995    '74Se',
 996    '76Ge',
 997    '76Se',
 998    '77Se',
 999    '78Kr',
1000    '78Se',
1001    '80Kr',
1002    '81Br',
1003    '82Kr',
1004    '82Se',
1005    '83Kr',
1006    '84Sr',
1007    '86Kr',
1008    '86Sr',
1009    '87Rb',
1010    '87Sr',
1011    '91Zr',
1012    '92Mo',
1013    '92Zr',
1014    '94Mo',
1015    '94Zr',
1016    '95Mo',
1017    '96Mo',
1018    '96Ru',
1019    '96Zr',
1020    '97Mo',
1021    '98Ru',
1022    '99Ru',
1023    '100Mo',
1024    '100Ru',
1025    '101Ru',
1026    '102Pd',
1027    '104Pd',
1028    '104Ru',
1029    '105Pd',
1030    '106Cd',
1031    '108Cd',
1032    '108Pd',
1033    '109Ag',
1034    '110Cd',
1035    '110Pd',
1036    '111Cd',
1037    '112Cd',
1038    '112Sn',
1039    '113Cd',
1040    '113In',
1041    '114Sn',
1042    '115Sn',
1043    '116Cd',
1044    '116Sn',
1045    '117Sn',
1046    '118Sn',
1047    '119Sn',
1048    '120Te',
1049    '122Sn',
1050    '122Te',
1051    '123Sb',
1052    '123Te',
1053    '124Sn',
1054    '124Te',
1055    '124Xe',
1056    '125Te',
1057    '126Te',
1058    '126Xe',
1059    '128Te',
1060    '128Xe',
1061    '129Xe',
1062    '130Ba',
1063    '130Xe',
1064    '131Xe',
1065    '132Ba',
1066    '134Ba',
1067    '134Xe',
1068    '135Ba',
1069    '136Ba',
1070    '136Ce',
1071    '136Xe',
1072    '137Ba',
1073    '138Ce',
1074    '138La',
1075    '142Ce',
1076    '143Nd',
1077    '144Nd',
1078    '144Sm',
1079    '145Nd',
1080    '146Nd',
1081    '147Sm',
1082    '148Nd',
1083    '148Sm',
1084    '149Sm',
1085    '150Nd',
1086    '150Sm',
1087    '151Eu',
1088    '152Gd',
1089    '154Gd',
1090    '154Sm',
1091    '155Gd',
1092    '156Dy',
1093    '156Gd',
1094    '157Gd',
1095    '158Dy',
1096    '160Dy',
1097    '160Gd',
1098    '161Dy',
1099    '162Dy',
1100    '162Er',
1101    '163Dy',
1102    '164Er',
1103    '167Er',
1104    '168Er',
1105    '168Yb',
1106    '170Er',
1107    '170Yb',
1108    '171Yb',
1109    '172Yb',
1110    '173Yb',
1111    '174Hf',
1112    '176Hf',
1113    '176Lu',
1114    '176Yb',
1115    '177Hf',
1116    '178Hf',
1117    '179Hf',
1118    '180Ta',
1119    '180W',
1120    '182W',
1121    '183W',
1122    '184Os',
1123    '185Re',
1124    '186Os',
1125    '186W',
1126    '187Os',
1127    '188Os',
1128    '189Os',
1129    '190Os',
1130    '190Pt',
1131    '191Ir',
1132    '192Pt',
1133    '194Pt',
1134    '196Hg',
1135    '196Pt',
1136    '198Hg',
1137    '198Pt',
1138    '199Hg',
1139    '200Hg',
1140    '201Hg',
1141    '203Tl',
1142    '204Hg',
1143    '204Pb',
1144    '206Pb',
1145    '207Pb',
1146    '234U',
1147    '235U',
1148]

NIST_TABLE_ID = 'Coursey et al. Atomic Weights and Isotopic Compositions version 4.1. https://www.nist.gov/pml/atomic-weights-and-isotopic-compositions-relative-atomic-masses'

NIST_DUMP_URL = 'https://physics.nist.gov/cgi-bin/Compositions/stand_alone.pl?ele=&ascii=ascii2&isotype=all'

NIST_RETRIEVED = '2026-09-02'

atomic_masses = {'C': 12.0, 'H': 1.00782503223, 'O': 15.99491461957, 'N': 14.00307400443, 'P': 30.97376199842, 'S': 31.9720711744, 'F': 18.99840316273, 'Cl': 34.968852682, 'Br': 78.9183376, 'I': 126.9044719, 'Li': 7.0160034366, 'Na': 22.989769282, 'K': 38.9637064864, 'Rb': 84.9117897379, 'Cs': 132.905451961, 'He': 4.00260325413, 'Ne': 19.9924401762, 'Ar': 39.9623831237, 'Kr': 83.9114977282, 'Xe': 131.9041550856, 'Be': 9.012183065, 'B': 11.00930536, 'Mg': 23.985041697, 'Al': 26.98153853, 'Si': 27.97692653465, 'Ca': 39.962590863, 'Sc': 44.95590828, 'Ti': 47.94794198, 'V': 50.94395704, 'Cr': 51.94050623, 'Mn': 54.93804391, 'Fe': 55.93493633, 'Co': 58.93319429, 'Ni': 57.93534241, 'Cu': 62.92959772, 'Zn': 63.92914201, 'Ga': 68.9255735, 'Ge': 73.921177761, 'As': 74.92159457, 'Se': 79.9165218, 'Sr': 87.9056125, 'Y': 88.9058403, 'Zr': 89.9046977, 'Nb': 92.906373, 'Mo': 97.90540482, 'Ru': 101.9043441, 'Rh': 102.905498, 'Pd': 105.9034804, 'Ag': 106.9050916, 'Cd': 113.90336509, 'In': 114.903878776, 'Sn': 119.90220163, 'Sb': 120.903812, 'Te': 129.906222748, 'Ba': 137.905247, 'La': 138.9063563, 'Hf': 179.946557, 'Ta': 180.9479958, 'W': 183.95093092, 'Re': 186.9557501, 'Os': 191.961477, 'Ir': 192.9629216, 'Pt': 194.9647917, 'Au': 196.96656879, 'Hg': 201.9706434, 'Tl': 204.9744278, 'Pb': 207.9766525, 'Bi': 208.9803991, 'Ce': 139.9054431, 'Pr': 140.9076576, 'Nd': 141.907729, 'Sm': 151.9197397, 'Eu': 152.921238, 'Gd': 157.9241123, 'Tb': 158.9253547, 'Dy': 163.9291819, 'Ho': 164.9303288, 'Er': 165.9302995, 'Tm': 168.9342179, 'Yb': 173.9388664, 'Lu': 174.9407752, 'Th': 232.0380558, 'Pa': 231.0358842, 'U': 238.0507884, 'D': 2.01410177812, '3He': 3.0160293201, '6Li': 6.0151228874, '10B': 10.01293695, '13C': 13.00335483507, '15N': 15.00010889888, '17O': 16.9991317565, '18O': 17.99915961286, '21Ne': 20.993846685, '22Ne': 21.991385114, '25Mg': 24.985836976, '26Mg': 25.982592968, '29Si': 28.9764946649, '30Si': 29.973770136, '33S': 32.9714589098, '34S': 33.967867004, '36Ar': 35.967545105, '36S': 35.96708071, '37Cl': 36.965902602, '38Ar': 37.96273211, '40K': 39.963998166, '41K': 40.9618252579, '42Ca': 41.95861783, '43Ca': 42.95876644, '44Ca': 43.95548156, '46Ca': 45.953689, '46Ti': 45.95262772, '47Ti': 46.95175879, '48Ca': 47.95252276, '49Ti': 48.94786568, '50Cr': 49.94604183, '50Ti': 49.94478689, '50V': 49.94715601, '53Cr': 52.94064815, '54Cr': 53.93887916, '54Fe': 53.93960899, '57Fe': 56.93539284, '58Fe': 57.93327443, '60Ni': 59.93078588, '61Ni': 60.93105557, '62Ni': 61.92834537, '64Ni': 63.92796682, '65Cu': 64.9277897, '66Zn': 65.92603381, '67Zn': 66.92712775, '68Zn': 67.92484455, '70Ge': 69.92424875, '70Zn': 69.9253192, '71Ga': 70.92470258, '72Ge': 71.922075826, '73Ge': 72.923458956, '74Se': 73.922475934, '76Ge': 75.921402726, '76Se': 75.919213704, '77Se': 76.919914154, '78Kr': 77.92036494, '78Se': 77.91730928, '80Kr': 79.91637808, '81Br': 80.9162897, '82Kr': 81.91348273, '82Se': 81.9166995, '83Kr': 82.91412716, '84Sr': 83.9134191, '86Kr': 85.9106106269, '86Sr': 85.9092606, '87Rb': 86.909180531, '87Sr': 86.9088775, '91Zr': 90.9056396, '92Mo': 91.90680796, '92Zr': 91.9050347, '94Mo': 93.9050849, '94Zr': 93.9063108, '95Mo': 94.90583877, '96Mo': 95.90467612, '96Ru': 95.90759025, '96Zr': 95.9082714, '97Mo': 96.90601812, '98Ru': 97.9052868, '99Ru': 98.9059341, '100Mo': 99.9074718, '100Ru': 99.9042143, '101Ru': 100.9055769, '102Pd': 101.9056022, '104Pd': 103.9040305, '104Ru': 103.9054275, '105Pd': 104.9050796, '106Cd': 105.9064599, '108Cd': 107.9041834, '108Pd': 107.9038916, '109Ag': 108.9047553, '110Cd': 109.90300661, '110Pd': 109.9051722, '111Cd': 110.90418287, '112Cd': 111.90276287, '112Sn': 111.90482387, '113Cd': 112.90440813, '113In': 112.90406184, '114Sn': 113.9027827, '115Sn': 114.903344699, '116Cd': 115.90476315, '116Sn': 115.9017428, '117Sn': 116.90295398, '118Sn': 117.90160657, '119Sn': 118.90331117, '120Te': 119.9040593, '122Sn': 121.9034438, '122Te': 121.9030435, '123Sb': 122.9042132, '123Te': 122.9042698, '124Sn': 123.9052766, '124Te': 123.9028171, '124Xe': 123.905892, '125Te': 124.9044299, '126Te': 125.9033109, '126Xe': 125.9042983, '128Te': 127.90446128, '128Xe': 127.903531, '129Xe': 128.9047808611, '130Ba': 129.9063207, '130Xe': 129.903509349, '131Xe': 130.90508406, '132Ba': 131.9050611, '134Ba': 133.90450818, '134Xe': 133.90539466, '135Ba': 134.90568838, '136Ba': 135.90457573, '136Ce': 135.90712921, '136Xe': 135.907214484, '137Ba': 136.90582714, '138Ce': 137.905991, '138La': 137.9071149, '142Ce': 141.9092504, '143Nd': 142.90982, '144Nd': 143.910093, '144Sm': 143.9120065, '145Nd': 144.9125793, '146Nd': 145.9131226, '147Sm': 146.9149044, '148Nd': 147.9168993, '148Sm': 147.9148292, '149Sm': 148.9171921, '150Nd': 149.9209022, '150Sm': 149.9172829, '151Eu': 150.9198578, '152Gd': 151.9197995, '154Gd': 153.9208741, '154Sm': 153.9222169, '155Gd': 154.9226305, '156Dy': 155.9242847, '156Gd': 155.9221312, '157Gd': 156.9239686, '158Dy': 157.9244159, '160Dy': 159.9252046, '160Gd': 159.9270624, '161Dy': 160.9269405, '162Dy': 161.9268056, '162Er': 161.9287884, '163Dy': 162.9287383, '164Er': 163.9292088, '167Er': 166.9320546, '168Er': 167.9323767, '168Yb': 167.9338896, '170Er': 169.9354702, '170Yb': 169.9347664, '171Yb': 170.9363302, '172Yb': 171.9363859, '173Yb': 172.9382151, '174Hf': 173.9400461, '176Hf': 175.9414076, '176Lu': 175.9426897, '176Yb': 175.9425764, '177Hf': 176.9432277, '178Hf': 177.9437058, '179Hf': 178.9458232, '180Ta': 179.9474648, '180W': 179.9467108, '182W': 181.94820394, '183W': 182.95022275, '184Os': 183.9524885, '185Re': 184.9529545, '186Os': 185.953835, '186W': 185.9543628, '187Os': 186.9557474, '188Os': 187.9558352, '189Os': 188.9581442, '190Os': 189.9584437, '190Pt': 189.9599297, '191Ir': 190.9605893, '192Pt': 191.9610387, '194Pt': 193.9626809, '196Hg': 195.9658326, '196Pt': 195.96495209, '198Hg': 197.9667686, '198Pt': 197.9678949, '199Hg': 198.96828064, '200Hg': 199.96832659, '201Hg': 200.97030284, '203Tl': 202.9723446, '204Hg': 203.97349398, '204Pb': 203.973044, '206Pb': 205.9744657, '207Pb': 206.9758973, '234U': 234.0409523, '235U': 235.0439301, '102Ru': 101.9043441, '103Rh': 102.905498, '106Pd': 105.9034804, '107Ag': 106.9050916, '114Cd': 113.90336509, '115In': 114.903878776, '11B': 11.00930536, '120Sn': 119.90220163, '121Sb': 120.903812, '127I': 126.9044719, '12C': 12.0, '130Te': 129.906222748, '132Xe': 131.9041550856, '133Cs': 132.905451961, '138Ba': 137.905247, '139La': 138.9063563, '140Ce': 139.9054431, '141Pr': 140.9076576, '142Nd': 141.907729, '14N': 14.00307400443, '152Sm': 151.9197397, '153Eu': 152.921238, '158Gd': 157.9241123, '159Tb': 158.9253547, '164Dy': 163.9291819, '165Ho': 164.9303288, '166Er': 165.9302995, '169Tm': 168.9342179, '16O': 15.99491461957, '174Yb': 173.9388664, '175Lu': 174.9407752, '180Hf': 179.946557, '181Ta': 180.9479958, '184W': 183.95093092, '187Re': 186.9557501, '192Os': 191.961477, '193Ir': 192.9629216, '195Pt': 194.9647917, '197Au': 196.96656879, '19F': 18.99840316273, '1H': 1.00782503223, '202Hg': 201.9706434, '205Tl': 204.9744278, '208Pb': 207.9766525, '209Bi': 208.9803991, '20Ne': 19.9924401762, '231Pa': 231.0358842, '232Th': 232.0380558, '238U': 238.0507884, '23Na': 22.989769282, '24Mg': 23.985041697, '27Al': 26.98153853, '28Si': 27.97692653465, '2H': 2.01410177812, '31P': 30.97376199842, '32S': 31.9720711744, '35Cl': 34.968852682, '39K': 38.9637064864, '40Ar': 39.9623831237, '40Ca': 39.962590863, '45Sc': 44.95590828, '48Ti': 47.94794198, '4He': 4.00260325413, '51V': 50.94395704, '52Cr': 51.94050623, '55Mn': 54.93804391, '56Fe': 55.93493633, '58Ni': 57.93534241, '59Co': 58.93319429, '63Cu': 62.92959772, '64Zn': 63.92914201, '69Ga': 68.9255735, '74Ge': 73.921177761, '75As': 74.92159457, '79Br': 78.9183376, '7Li': 7.0160034366, '80Se': 79.9165218, '84Kr': 83.9114977282, '85Rb': 84.9117897379, '88Sr': 87.9056125, '89Y': 88.9058403, '90Zr': 89.9046977, '93Nb': 92.906373, '98Mo': 97.90540482, '9Be': 9.012183065}

isotopic_abundance = {'C': 0.9893, 'H': 0.999885, 'O': 0.99757, 'N': 0.99636, 'P': 1, 'S': 0.9499, 'F': 1, 'Cl': 0.7576, 'Br': 0.5069, 'I': 1, 'Li': 0.9241, 'Na': 1, 'K': 0.932581, 'Rb': 0.7217, 'Cs': 1, 'He': 0.99999866, 'Ne': 0.9048, 'Ar': 0.996035, 'Kr': 0.56987, 'Xe': 0.269086, 'Be': 1, 'B': 0.801, 'Mg': 0.7899, 'Al': 1, 'Si': 0.92223, 'Ca': 0.96941, 'Sc': 1, 'Ti': 0.7372, 'V': 0.9975, 'Cr': 0.83789, 'Mn': 1, 'Fe': 0.91754, 'Co': 1, 'Ni': 0.68077, 'Cu': 0.6915, 'Zn': 0.4917, 'Ga': 0.60108, 'Ge': 0.365, 'As': 1, 'Se': 0.4961, 'Sr': 0.8258, 'Y': 1, 'Zr': 0.5145, 'Nb': 1, 'Mo': 0.2439, 'Ru': 0.3155, 'Rh': 1, 'Pd': 0.2733, 'Ag': 0.51839, 'Cd': 0.2873, 'In': 0.9571, 'Sn': 0.3258, 'Sb': 0.5721, 'Te': 0.3408, 'Ba': 0.71698, 'La': 0.9991119, 'Hf': 0.3508, 'Ta': 0.9998799, 'W': 0.3064, 'Re': 0.626, 'Os': 0.4078, 'Ir': 0.627, 'Pt': 0.3378, 'Au': 1, 'Hg': 0.2986, 'Tl': 0.7048, 'Pb': 0.524, 'Bi': 1, 'Ce': 0.8845, 'Pr': 1, 'Nd': 0.27152, 'Sm': 0.2675, 'Eu': 0.5219, 'Gd': 0.2484, 'Tb': 1, 'Dy': 0.2826, 'Ho': 1, 'Er': 0.33503, 'Tm': 1, 'Yb': 0.32026, 'Lu': 0.97401, 'Th': 1, 'Pa': 1, 'U': 0.992742, 'D': 0.000115, '3He': 1.34e-06, '6Li': 0.0759, '10B': 0.199, '13C': 0.0107, '15N': 0.00364, '17O': 0.00038, '18O': 0.00205, '21Ne': 0.0027, '22Ne': 0.0925, '25Mg': 0.1, '26Mg': 0.1101, '29Si': 0.04685, '30Si': 0.03092, '33S': 0.0075, '34S': 0.0425, '36Ar': 0.003336, '36S': 0.0001, '37Cl': 0.2424, '38Ar': 0.000629, '40K': 0.000117, '41K': 0.067302, '42Ca': 0.00647, '43Ca': 0.00135, '44Ca': 0.02086, '46Ca': 4e-05, '46Ti': 0.0825, '47Ti': 0.0744, '48Ca': 0.00187, '49Ti': 0.0541, '50Cr': 0.04345, '50Ti': 0.0518, '50V': 0.0025, '53Cr': 0.09501, '54Cr': 0.02365, '54Fe': 0.05845, '57Fe': 0.02119, '58Fe': 0.00282, '60Ni': 0.26223, '61Ni': 0.011399, '62Ni': 0.036346, '64Ni': 0.009255, '65Cu': 0.3085, '66Zn': 0.2773, '67Zn': 0.0404, '68Zn': 0.1845, '70Ge': 0.2057, '70Zn': 0.0061, '71Ga': 0.39892, '72Ge': 0.2745, '73Ge': 0.0775, '74Se': 0.0089, '76Ge': 0.0773, '76Se': 0.0937, '77Se': 0.0763, '78Kr': 0.00355, '78Se': 0.2377, '80Kr': 0.02286, '81Br': 0.4931, '82Kr': 0.11593, '82Se': 0.0873, '83Kr': 0.115, '84Sr': 0.0056, '86Kr': 0.17279, '86Sr': 0.0986, '87Rb': 0.2783, '87Sr': 0.07, '91Zr': 0.1122, '92Mo': 0.1453, '92Zr': 0.1715, '94Mo': 0.0915, '94Zr': 0.1738, '95Mo': 0.1584, '96Mo': 0.1667, '96Ru': 0.0554, '96Zr': 0.028, '97Mo': 0.096, '98Ru': 0.0187, '99Ru': 0.1276, '100Mo': 0.0982, '100Ru': 0.126, '101Ru': 0.1706, '102Pd': 0.0102, '104Pd': 0.1114, '104Ru': 0.1862, '105Pd': 0.2233, '106Cd': 0.0125, '108Cd': 0.0089, '108Pd': 0.2646, '109Ag': 0.48161, '110Cd': 0.1249, '110Pd': 0.1172, '111Cd': 0.128, '112Cd': 0.2413, '112Sn': 0.0097, '113Cd': 0.1222, '113In': 0.0429, '114Sn': 0.0066, '115Sn': 0.0034, '116Cd': 0.0749, '116Sn': 0.1454, '117Sn': 0.0768, '118Sn': 0.2422, '119Sn': 0.0859, '120Te': 0.0009, '122Sn': 0.0463, '122Te': 0.0255, '123Sb': 0.4279, '123Te': 0.0089, '124Sn': 0.0579, '124Te': 0.0474, '124Xe': 0.000952, '125Te': 0.0707, '126Te': 0.1884, '126Xe': 0.00089, '128Te': 0.3174, '128Xe': 0.019102, '129Xe': 0.264006, '130Ba': 0.00106, '130Xe': 0.04071, '131Xe': 0.212324, '132Ba': 0.00101, '134Ba': 0.02417, '134Xe': 0.104357, '135Ba': 0.06592, '136Ba': 0.07854, '136Ce': 0.00185, '136Xe': 0.088573, '137Ba': 0.11232, '138Ce': 0.00251, '138La': 0.0008881, '142Ce': 0.11114, '143Nd': 0.12174, '144Nd': 0.23798, '144Sm': 0.0307, '145Nd': 0.08293, '146Nd': 0.17189, '147Sm': 0.1499, '148Nd': 0.05756, '148Sm': 0.1124, '149Sm': 0.1382, '150Nd': 0.05638, '150Sm': 0.0738, '151Eu': 0.4781, '152Gd': 0.002, '154Gd': 0.0218, '154Sm': 0.2275, '155Gd': 0.148, '156Dy': 0.00056, '156Gd': 0.2047, '157Gd': 0.1565, '158Dy': 0.00095, '160Dy': 0.02329, '160Gd': 0.2186, '161Dy': 0.18889, '162Dy': 0.25475, '162Er': 0.00139, '163Dy': 0.24896, '164Er': 0.01601, '167Er': 0.22869, '168Er': 0.26978, '168Yb': 0.00123, '170Er': 0.1491, '170Yb': 0.02982, '171Yb': 0.1409, '172Yb': 0.2168, '173Yb': 0.16103, '174Hf': 0.0016, '176Hf': 0.0526, '176Lu': 0.02599, '176Yb': 0.12996, '177Hf': 0.186, '178Hf': 0.2728, '179Hf': 0.1362, '180Ta': 0.0001201, '180W': 0.0012, '182W': 0.265, '183W': 0.1431, '184Os': 0.0002, '185Re': 0.374, '186Os': 0.0159, '186W': 0.2843, '187Os': 0.0196, '188Os': 0.1324, '189Os': 0.1615, '190Os': 0.2626, '190Pt': 0.00012, '191Ir': 0.373, '192Pt': 0.00782, '194Pt': 0.3286, '196Hg': 0.0015, '196Pt': 0.2521, '198Hg': 0.0997, '198Pt': 0.07356, '199Hg': 0.1687, '200Hg': 0.231, '201Hg': 0.1318, '203Tl': 0.2952, '204Hg': 0.0687, '204Pb': 0.014, '206Pb': 0.241, '207Pb': 0.221, '234U': 5.4e-05, '235U': 0.007204, '102Ru': 0.3155, '103Rh': 1, '106Pd': 0.2733, '107Ag': 0.51839, '114Cd': 0.2873, '115In': 0.9571, '11B': 0.801, '120Sn': 0.3258, '121Sb': 0.5721, '127I': 1, '12C': 0.9893, '130Te': 0.3408, '132Xe': 0.269086, '133Cs': 1, '138Ba': 0.71698, '139La': 0.9991119, '140Ce': 0.8845, '141Pr': 1, '142Nd': 0.27152, '14N': 0.99636, '152Sm': 0.2675, '153Eu': 0.5219, '158Gd': 0.2484, '159Tb': 1, '164Dy': 0.2826, '165Ho': 1, '166Er': 0.33503, '169Tm': 1, '16O': 0.99757, '174Yb': 0.32026, '175Lu': 0.97401, '180Hf': 0.3508, '181Ta': 0.9998799, '184W': 0.3064, '187Re': 0.626, '192Os': 0.4078, '193Ir': 0.627, '195Pt': 0.3378, '197Au': 1, '19F': 1, '1H': 0.999885, '202Hg': 0.2986, '205Tl': 0.7048, '208Pb': 0.524, '209Bi': 1, '20Ne': 0.9048, '231Pa': 1, '232Th': 1, '238U': 0.992742, '23Na': 1, '24Mg': 0.7899, '27Al': 1, '28Si': 0.92223, '2H': 0.000115, '31P': 1, '32S': 0.9499, '35Cl': 0.7576, '39K': 0.932581, '40Ar': 0.996035, '40Ca': 0.96941, '45Sc': 1, '48Ti': 0.7372, '4He': 0.99999866, '51V': 0.9975, '52Cr': 0.83789, '55Mn': 1, '56Fe': 0.91754, '58Ni': 0.68077, '59Co': 1, '63Cu': 0.6915, '64Zn': 0.4917, '69Ga': 0.60108, '74Ge': 0.365, '75As': 1, '79Br': 0.5069, '7Li': 0.9241, '80Se': 0.4961, '84Kr': 0.56987, '85Rb': 0.7217, '88Sr': 0.8258, '89Y': 1, '90Zr': 0.5145, '93Nb': 1, '98Mo': 0.2439, '9Be': 1}

isotopes = {'C': ['13C'], 'H': ['D'], 'O': ['17O', '18O'], 'N': ['15N'], 'P': [None], 'S': ['33S', '34S', '36S'], 'F': [None], 'Cl': ['37Cl'], 'Br': ['81Br'], 'I': [None], 'Li': ['6Li'], 'Na': [None], 'K': ['40K', '41K'], 'Rb': ['87Rb'], 'Cs': [None], 'He': ['3He'], 'Ne': ['21Ne', '22Ne'], 'Ar': ['36Ar', '38Ar'], 'Kr': ['78Kr', '80Kr', '82Kr', '83Kr', '86Kr'], 'Xe': ['124Xe', '126Xe', '128Xe', '129Xe', '130Xe', '131Xe', '134Xe', '136Xe'], 'Be': [None], 'B': ['10B'], 'Mg': ['25Mg', '26Mg'], 'Al': [None], 'Si': ['29Si', '30Si'], 'Ca': ['42Ca', '43Ca', '44Ca', '46Ca', '48Ca'], 'Sc': [None], 'Ti': ['46Ti', '47Ti', '49Ti', '50Ti'], 'V': ['50V'], 'Cr': ['50Cr', '53Cr', '54Cr'], 'Mn': [None], 'Fe': ['54Fe', '57Fe', '58Fe'], 'Co': [None], 'Ni': ['60Ni', '61Ni', '62Ni', '64Ni'], 'Cu': ['65Cu'], 'Zn': ['66Zn', '67Zn', '68Zn', '70Zn'], 'Ga': ['71Ga'], 'Ge': ['70Ge', '72Ge', '73Ge', '76Ge'], 'As': [None], 'Se': ['74Se', '76Se', '77Se', '78Se', '82Se'], 'Sr': ['84Sr', '86Sr', '87Sr'], 'Y': [None], 'Zr': ['91Zr', '92Zr', '94Zr', '96Zr'], 'Nb': [None], 'Mo': ['92Mo', '94Mo', '95Mo', '96Mo', '97Mo', '100Mo'], 'Ru': ['96Ru', '98Ru', '99Ru', '100Ru', '101Ru', '104Ru'], 'Rh': [None], 'Pd': ['102Pd', '104Pd', '105Pd', '108Pd', '110Pd'], 'Ag': ['109Ag'], 'Cd': ['106Cd', '108Cd', '110Cd', '111Cd', '112Cd', '113Cd', '116Cd'], 'In': ['113In'], 'Sn': ['112Sn', '114Sn', '115Sn', '116Sn', '117Sn', '118Sn', '119Sn', '122Sn', '124Sn'], 'Sb': ['123Sb'], 'Te': ['120Te', '122Te', '123Te', '124Te', '125Te', '126Te', '128Te'], 'Ba': ['130Ba', '132Ba', '134Ba', '135Ba', '136Ba', '137Ba'], 'La': ['138La'], 'Hf': ['174Hf', '176Hf', '177Hf', '178Hf', '179Hf'], 'Ta': ['180Ta'], 'W': ['180W', '182W', '183W', '186W'], 'Re': ['185Re'], 'Os': ['184Os', '186Os', '187Os', '188Os', '189Os', '190Os'], 'Ir': ['191Ir'], 'Pt': ['190Pt', '192Pt', '194Pt', '196Pt', '198Pt'], 'Au': [None], 'Hg': ['196Hg', '198Hg', '199Hg', '200Hg', '201Hg', '204Hg'], 'Tl': ['203Tl'], 'Pb': ['204Pb', '206Pb', '207Pb'], 'Bi': [None], 'Ce': ['136Ce', '138Ce', '142Ce'], 'Pr': [None], 'Nd': ['143Nd', '144Nd', '145Nd', '146Nd', '148Nd', '150Nd'], 'Sm': ['144Sm', '147Sm', '148Sm', '149Sm', '150Sm', '154Sm'], 'Eu': ['151Eu'], 'Gd': ['152Gd', '154Gd', '155Gd', '156Gd', '157Gd', '160Gd'], 'Tb': [None], 'Dy': ['156Dy', '158Dy', '160Dy', '161Dy', '162Dy', '163Dy'], 'Ho': [None], 'Er': ['162Er', '164Er', '167Er', '168Er', '170Er'], 'Tm': [None], 'Yb': ['168Yb', '170Yb', '171Yb', '172Yb', '173Yb', '176Yb'], 'Lu': ['176Lu'], 'Th': [None], 'Pa': [None], 'U': ['234U', '235U']}

atoms_order = ['C', 'H', 'O', 'N', 'P', 'S', 'F', 'Cl', 'Br', 'I', 'Li', 'Na', 'K', 'Rb', 'Cs', 'He', 'Ne', 'Ar', 'Kr', 'Xe', 'Be', 'B', 'Mg', 'Al', 'Si', 'Ca', 'Sc', 'Ti', 'V', 'Cr', 'Mn', 'Fe', 'Co', 'Ni', 'Cu', 'Zn', 'Ga', 'Ge', 'As', 'Se', 'Sr', 'Y', 'Zr', 'Nb', 'Mo', 'Ru', 'Rh', 'Pd', 'Ag', 'Cd', 'In', 'Sn', 'Sb', 'Te', 'Ba', 'La', 'Hf', 'Ta', 'W', 'Re', 'Os', 'Ir', 'Pt', 'Au', 'Hg', 'Tl', 'Pb', 'Bi', 'Ce', 'Pr', 'Nd', 'Sm', 'Eu', 'Gd', 'Tb', 'Dy', 'Ho', 'Er', 'Tm', 'Yb', 'Lu', 'Th', 'Pa', 'U', 'D', '3He', '6Li', '10B', '13C', '15N', '17O', '18O', '21Ne', '22Ne', '25Mg', '26Mg', '29Si', '30Si', '33S', '34S', '36Ar', '36S', '37Cl', '38Ar', '40K', '41K', '42Ca', '43Ca', '44Ca', '46Ca', '46Ti', '47Ti', '48Ca', '49Ti', '50Cr', '50Ti', '50V', '53Cr', '54Cr', '54Fe', '57Fe', '58Fe', '60Ni', '61Ni', '62Ni', '64Ni', '65Cu', '66Zn', '67Zn', '68Zn', '70Ge', '70Zn', '71Ga', '72Ge', '73Ge', '74Se', '76Ge', '76Se', '77Se', '78Kr', '78Se', '80Kr', '81Br', '82Kr', '82Se', '83Kr', '84Sr', '86Kr', '86Sr', '87Rb', '87Sr', '91Zr', '92Mo', '92Zr', '94Mo', '94Zr', '95Mo', '96Mo', '96Ru', '96Zr', '97Mo', '98Ru', '99Ru', '100Mo', '100Ru', '101Ru', '102Pd', '104Pd', '104Ru', '105Pd', '106Cd', '108Cd', '108Pd', '109Ag', '110Cd', '110Pd', '111Cd', '112Cd', '112Sn', '113Cd', '113In', '114Sn', '115Sn', '116Cd', '116Sn', '117Sn', '118Sn', '119Sn', '120Te', '122Sn', '122Te', '123Sb', '123Te', '124Sn', '124Te', '124Xe', '125Te', '126Te', '126Xe', '128Te', '128Xe', '129Xe', '130Ba', '130Xe', '131Xe', '132Ba', '134Ba', '134Xe', '135Ba', '136Ba', '136Ce', '136Xe', '137Ba', '138Ce', '138La', '142Ce', '143Nd', '144Nd', '144Sm', '145Nd', '146Nd', '147Sm', '148Nd', '148Sm', '149Sm', '150Nd', '150Sm', '151Eu', '152Gd', '154Gd', '154Sm', '155Gd', '156Dy', '156Gd', '157Gd', '158Dy', '160Dy', '160Gd', '161Dy', '162Dy', '162Er', '163Dy', '164Er', '167Er', '168Er', '168Yb', '170Er', '170Yb', '171Yb', '172Yb', '173Yb', '174Hf', '176Hf', '176Lu', '176Yb', '177Hf', '178Hf', '179Hf', '180Ta', '180W', '182W', '183W', '184Os', '185Re', '186Os', '186W', '187Os', '188Os', '189Os', '190Os', '190Pt', '191Ir', '192Pt', '194Pt', '196Hg', '196Pt', '198Hg', '198Pt', '199Hg', '200Hg', '201Hg', '203Tl', '204Hg', '204Pb', '206Pb', '207Pb', '234U', '235U']