# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoNi # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan nan nan nan 0.80 nan nan nan nan nan nan nan nan 0.82 nan nan nan nan nan nan nan nan 0.84 nan nan nan nan nan nan nan nan 0.86 nan nan nan nan nan nan nan nan 0.88 nan nan nan nan 1.575404481e+05 1.575404481e+05 nan nan 0.90 nan nan nan nan 1.202270443e+05 1.202270443e+05 nan nan 0.92 nan nan nan nan 9.228994637e+04 9.228994637e+04 nan nan 0.94 nan nan nan nan 7.124182412e+04 7.124182412e+04 nan nan 0.96 nan nan nan nan 5.528879680e+04 5.528879680e+04 nan nan 0.98 nan nan nan nan 4.312806510e+04 4.312806510e+04 nan nan 1.00 5.188056429e+04 5.188056429e+04 nan nan 3.380714226e+04 3.380714226e+04 nan nan 1.02 4.085571143e+04 4.085571143e+04 nan nan 2.662518949e+04 2.662518949e+04 nan nan 1.04 3.231823253e+04 3.231823253e+04 nan nan 2.106335502e+04 2.106335502e+04 nan nan 1.06 2.567485688e+04 2.567485688e+04 nan nan 1.673524857e+04 1.673524857e+04 nan nan 1.08 2.048126991e+04 2.048126991e+04 nan nan 1.335148929e+04 1.335148929e+04 nan nan 1.10 1.640289865e+04 1.640289865e+04 nan nan 1.069416706e+04 1.069416706e+04 nan nan 1.12 1.318648213e+04 1.318648213e+04 1.938072924e+04 1.938072924e+04 8.598329551e+03 8.598329551e+03 2.276227176e+04 2.276227176e+04 1.14 1.063934104e+04 1.063934104e+04 1.563733618e+04 1.563733618e+04 6.938480273e+03 6.938480273e+03 1.836820458e+04 1.836820458e+04 1.16 8.614171449e+03 8.614171449e+03 1.266103130e+04 1.266103130e+04 5.618673834e+03 5.618673834e+03 1.487431743e+04 1.487431743e+04 1.18 6.997829171e+03 6.997829171e+03 1.028554145e+04 1.028554145e+04 4.565213073e+03 4.565213073e+03 1.208551589e+04 1.208551589e+04 1.20 5.703014802e+03 5.703014802e+03 8.382573617e+03 8.382573617e+03 3.721233564e+03 3.721233564e+03 9.851266289e+03 9.851266289e+03 1.22 4.662076746e+03 4.662076746e+03 6.852707585e+03 6.852707585e+03 3.042667473e+03 3.042667473e+03 8.054909471e+03 8.054909471e+03 1.24 3.822367535e+03 3.822367535e+03 5.618572325e+03 5.618572325e+03 2.495219401e+03 2.495219401e+03 6.605656358e+03 6.605656358e+03 1.26 3.142747920e+03 3.142747920e+03 4.619710770e+03 4.619710770e+03 2.052090020e+03 2.052090020e+03 5.432562221e+03 5.432562221e+03 1.28 2.590945238e+03 2.590945238e+03 3.808695726e+03 3.808695726e+03 1.692255311e+03 1.692255311e+03 4.479970290e+03 4.479970290e+03 1.30 2.141546383e+03 2.141546383e+03 3.148178448e+03 3.148178448e+03 1.399158540e+03 1.399158540e+03 3.704050579e+03 3.704050579e+03 1.32 1.774465199e+03 1.774465199e+03 2.608639271e+03 2.608639271e+03 1.159712897e+03 1.159712897e+03 3.070159316e+03 3.070159316e+03 1.34 1.473768449e+03 1.473768449e+03 2.166663348e+03 2.166663348e+03 9.635376167e+02 9.635376167e+02 2.550815724e+03 2.550815724e+03 1.36 1.226773688e+03 1.226773688e+03 1.803613001e+03 1.803613001e+03 8.023695977e+02 8.023695977e+02 2.124144874e+03 2.124144874e+03 1.38 1.023352259e+03 1.023352259e+03 1.504603787e+03 1.504603787e+03 6.696090776e+02 6.696090776e+02 1.772676005e+03 1.772676005e+03 1.40 8.553891147e+02 8.553891147e+02 1.257710468e+03 1.257710468e+03 5.599677769e+02 5.599677769e+02 1.482410824e+03 1.482410824e+03 1.42 7.163625929e+02 7.163625929e+02 1.053348090e+03 1.053348090e+03 4.691951637e+02 4.691951637e+02 1.242098227e+03 1.242098227e+03 1.44 6.010153138e+02 6.010153138e+02 8.837890125e+02 8.837890125e+02 3.938644027e+02 3.938644027e+02 1.042667533e+03 1.042667533e+03 1.46 5.050966219e+02 5.050966219e+02 7.427851594e+02 7.427851594e+02 3.312047012e+02 3.312047012e+02 8.767842057e+02 8.767842057e+02 1.48 4.251595542e+02 4.251595542e+02 6.252704375e+02 6.252704375e+02 2.789693491e+02 2.789693491e+02 7.385005176e+02 7.385005176e+02 1.50 3.584012688e+02 3.584012688e+02 5.271260236e+02 5.271260236e+02 2.353317167e+02 2.353317167e+02 6.229797183e+02 6.229797183e+02 1.52 3.025365554e+02 3.025365554e+02 4.449937776e+02 4.449937776e+02 1.988024676e+02 1.988024676e+02 5.262778881e+02 5.262778881e+02 1.54 2.556974804e+02 2.556974804e+02 3.761286121e+02 3.761286121e+02 1.681641491e+02 1.681641491e+02 4.451709150e+02 4.451709150e+02 1.56 2.163532446e+02 2.163532446e+02 3.182807803e+02 3.182807803e+02 1.424187647e+02 1.424187647e+02 3.770163881e+02 3.770163881e+02 1.58 1.832463824e+02 1.832463824e+02 2.696018373e+02 2.696018373e+02 1.207460591e+02 1.207460591e+02 3.196431361e+02 3.196431361e+02 1.60 1.553412878e+02 1.553412878e+02 2.285697769e+02 2.285697769e+02 1.024705388e+02 1.024705388e+02 2.712628256e+02 2.712628256e+02 1.62 1.317831947e+02 1.317831947e+02 1.939282441e+02 1.939282441e+02 8.703465027e+01 8.703465027e+01 2.303989561e+02 2.303989561e+02 1.64 1.118645665e+02 1.118645665e+02 1.646373220e+02 1.646373220e+02 7.397687719e+01 7.397687719e+01 1.958298646e+02 1.958298646e+02 1.66 9.499870204e+01 9.499870204e+01 1.398346339e+02 1.398346339e+02 6.291444844e+01 6.291444844e+01 1.665425650e+02 1.665425650e+02 1.68 8.069814081e+01 8.069814081e+01 1.188035976e+02 1.188035976e+02 5.352923207e+01 5.352923207e+01 1.416951219e+02 1.416951219e+02 1.70 6.855700350e+01 6.855700350e+01 1.009475686e+02 1.009475686e+02 4.555625686e+01 4.555625686e+01 1.205862821e+02 1.205862821e+02 1.72 5.823673061e+01 5.823673061e+01 8.576887424e+01 8.576887424e+01 3.877444315e+01 3.877444315e+01 1.026309562e+02 1.026309562e+02 1.74 4.945446210e+01 4.945446210e+01 7.285168205e+01 7.285168205e+01 3.299902302e+01 3.299902302e+01 8.734009239e+01 8.734009239e+01 1.76 4.197354732e+01 4.197354732e+01 6.184777267e+01 6.184777267e+01 2.807533002e+01 2.807533002e+01 7.430422679e+01 7.430422679e+01 1.78 3.559558784e+01 3.559558784e+01 5.246482098e+01 5.246482098e+01 2.387355012e+01 2.387355012e+01 6.317985013e+01 6.317985013e+01 1.80 3.015360561e+01 3.015360561e+01 4.445711301e+01 4.445711301e+01 2.028457399e+01 2.028457399e+01 5.367808356e+01 5.367808356e+01 1.82 2.550690032e+01 2.550690032e+01 3.761785555e+01 3.761785555e+01 1.721658585e+01 1.721658585e+01 4.555562167e+01 4.555562167e+01 1.84 2.153686522e+01 2.153686522e+01 3.177262187e+01 3.177262187e+01 1.459206966e+01 1.459206966e+01 3.860724524e+01 3.860724524e+01 1.86 1.814327284e+01 1.814327284e+01 2.677410917e+01 2.677410917e+01 1.234550694e+01 1.234550694e+01 3.265958346e+01 3.265958346e+01 1.88 1.524121426e+01 1.524121426e+01 2.249780836e+01 2.249780836e+01 1.042147952e+01 1.042147952e+01 2.756589774e+01 2.756589774e+01 1.90 1.275873938e+01 1.275873938e+01 1.883836087e+01 1.883836087e+01 8.773042603e+00 8.773042603e+00 2.320172248e+01 2.320172248e+01 1.92 1.063480660e+01 1.063480660e+01 1.570652637e+01 1.570652637e+01 7.360388820e+00 7.360388820e+00 1.946147076e+01 1.946147076e+01 1.94 8.817523660e+00 8.817523660e+00 1.302647575e+01 1.302647575e+01 6.149734790e+00 6.149734790e+00 1.625544389e+01 1.625544389e+01 1.96 7.262736939e+00 7.262736939e+00 1.073353392e+01 1.073353392e+01 5.112289336e+00 5.112289336e+00 1.350733805e+01 1.350733805e+01 1.98 5.932868857e+00 5.932868857e+00 8.772381541e+00 8.772381541e+00 4.223408464e+00 4.223408464e+00 1.115209865e+01 1.115209865e+01 2.00 4.795920708e+00 4.795920708e+00 7.095804929e+00 7.095804929e+00 3.462054679e+00 3.462054679e+00 9.134227099e+00 9.134227099e+00 2.02 3.824528039e+00 3.824528039e+00 5.663505549e+00 5.663505549e+00 2.810261578e+00 2.810261578e+00 7.406268205e+00 7.406268205e+00 2.04 2.995230234e+00 2.995230234e+00 4.441061172e+00 4.441061172e+00 2.252660600e+00 2.252660600e+00 5.927609979e+00 5.927609979e+00 2.06 2.287974507e+00 2.287974507e+00 3.398946706e+00 3.398946706e+00 1.776032308e+00 1.776032308e+00 4.663448548e+00 4.663448548e+00 2.08 1.685625826e+00 1.685625826e+00 2.511869768e+00 2.511869768e+00 1.369038214e+00 1.369038214e+00 3.583917824e+00 3.583917824e+00 2.10 1.173541691e+00 1.173541691e+00 1.758148092e+00 1.758148092e+00 1.021954172e+00 1.021954172e+00 2.663398837e+00 2.663398837e+00 2.12 7.391153954e-01 7.391153954e-01 1.119162172e+00 1.119162172e+00 7.264265167e-01 7.264265167e-01 1.879925863e+00 1.879925863e+00 2.14 3.715171106e-01 3.715171106e-01 5.789162322e-01 5.789162322e-01 4.752778184e-01 4.752778184e-01 1.214646821e+00 1.214646821e+00 2.16 6.147364950e-02 6.147364950e-02 1.236676262e-01 1.236676262e-01 2.623430463e-01 2.623430463e-01 6.512832374e-01 6.512832374e-01 2.18 -1.989600440e-01 -1.989600440e-01 -2.583865494e-01 -2.583865494e-01 8.233113943e-02 8.233113943e-02 1.757346270e-01 1.757346270e-01 2.20 -4.165813873e-01 -4.165813873e-01 -5.773746006e-01 -5.773746006e-01 -6.929200126e-02 -6.929200126e-02 -2.241577202e-01 -2.241577202e-01 2.22 -5.972294773e-01 -5.972294773e-01 -8.420136569e-01 -8.420136569e-01 -1.964219303e-01 -1.964219303e-01 -5.588815251e-01 -5.588815251e-01 2.24 -7.460400171e-01 -7.460400171e-01 -1.059933353e+00 -1.059933353e+00 -3.024659836e-01 -3.024659836e-01 -8.375117303e-01 -8.375117303e-01 2.26 -8.674748247e-01 -8.674748247e-01 -1.237745499e+00 -1.237745499e+00 -3.903654349e-01 -3.903654349e-01 -1.067871005e+00 -1.067871005e+00 2.28 -9.653856091e-01 -9.653856091e-01 -1.381150985e+00 -1.381150985e+00 -4.626413605e-01 -4.626413605e-01 -1.256709223e+00 -1.256709223e+00 2.30 -1.043096240e+00 -1.043096240e+00 -1.495065870e+00 -1.495065870e+00 -5.214538802e-01 -5.214538802e-01 -1.409887312e+00 -1.409887312e+00 2.32 -1.103468049e+00 -1.103468049e+00 -1.583722999e+00 -1.583722999e+00 -5.686467980e-01 -5.686467980e-01 -1.532491521e+00 -1.532491521e+00 2.34 -1.148936096e+00 -1.148936096e+00 -1.650758985e+00 -1.650758985e+00 -6.057860345e-01 -6.057860345e-01 -1.628916498e+00 -1.628916498e+00 2.36 -1.181611722e+00 -1.181611722e+00 -1.699341390e+00 -1.699341390e+00 -6.342454226e-01 -6.342454226e-01 -1.702952520e+00 -1.702952520e+00 2.38 -1.203362707e+00 -1.203362707e+00 -1.732277893e+00 -1.732277893e+00 -6.552806021e-01 -6.552806021e-01 -1.757860415e+00 -1.757860415e+00 2.40 -1.215818320e+00 -1.215818320e+00 -1.752006006e+00 -1.752006006e+00 -6.699886879e-01 -6.699886879e-01 -1.796431879e+00 -1.796431879e+00 2.42 -1.220398135e+00 -1.220398135e+00 -1.760633278e+00 -1.760633278e+00 -6.793228894e-01 -6.793228894e-01 -1.821039188e+00 -1.821039188e+00 2.44 -1.218339551e+00 -1.218339551e+00 -1.759977435e+00 -1.759977435e+00 -6.841108836e-01 -6.841108836e-01 -1.833714992e+00 -1.833714992e+00 2.46 -1.210721307e+00 -1.210721307e+00 -1.751600620e+00 -1.751600620e+00 -6.850705606e-01 -6.850705606e-01 -1.836239096e+00 -1.836239096e+00 2.48 -1.198483543e+00 -1.198483543e+00 -1.736838559e+00 -1.736838559e+00 -6.828235146e-01 -6.828235146e-01 -1.830161268e+00 -1.830161268e+00 2.50 -1.182444897e+00 -1.182444897e+00 -1.716825395e+00 -1.716825395e+00 -6.779065972e-01 -6.779065972e-01 -1.816849586e+00 -1.816849586e+00 2.52 -1.163317057e+00 -1.163317057e+00 -1.692514770e+00 -1.692514770e+00 -6.707818051e-01 -6.707818051e-01 -1.797475267e+00 -1.797475267e+00 2.54 -1.141717121e+00 -1.141717121e+00 -1.664697694e+00 -1.664697694e+00 -6.618447335e-01 -6.618447335e-01 -1.773042537e+00 -1.773042537e+00 2.56 -1.118178071e+00 -1.118178071e+00 -1.634017768e+00 -1.634017768e+00 -6.514317936e-01 -6.514317936e-01 -1.744454569e+00 -1.744454569e+00 2.58 -1.093157588e+00 -1.093157588e+00 -1.601014807e+00 -1.601014807e+00 -6.398263636e-01 -6.398263636e-01 -1.712506650e+00 -1.712506650e+00 2.60 -1.067042813e+00 -1.067042813e+00 -1.566180923e+00 -1.566180923e+00 -6.272640198e-01 -6.272640198e-01 -1.677881330e+00 -1.677881330e+00 2.62 -1.040154729e+00 -1.040154729e+00 -1.529917515e+00 -1.529917515e+00 -6.139369720e-01 -6.139369720e-01 -1.641158678e+00 -1.641158678e+00 2.64 -1.012758695e+00 -1.012758695e+00 -1.492553424e+00 -1.492553424e+00 -6.000034360e-01 -6.000034360e-01 -1.602834339e+00 -1.602834339e+00 2.66 -9.850692815e-01 -9.850692815e-01 -1.454413423e+00 -1.454413423e+00 -5.856209431e-01 -5.856209431e-01 -1.563329622e+00 -1.563329622e+00 2.68 -9.572536623e-01 -9.572536623e-01 -1.415794082e+00 -1.415794082e+00 -5.709338412e-01 -5.709338412e-01 -1.523004293e+00 -1.523004293e+00 2.70 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-7.441469359e-01 -7.441469359e-01 -1.111281633e+00 -1.111281633e+00 -4.528890090e-01 -4.528890090e-01 -1.201179095e+00 -1.201179095e+00 2.86 -7.200145367e-01 -7.200145367e-01 -1.075334698e+00 -1.075334698e+00 -4.387719751e-01 -4.387719751e-01 -1.163351497e+00 -1.163351497e+00 2.88 -6.965845817e-01 -6.965845817e-01 -1.040053833e+00 -1.040053833e+00 -4.248717434e-01 -4.248717434e-01 -1.126319970e+00 -1.126319970e+00 2.90 -6.738572979e-01 -6.738572979e-01 -1.005481312e+00 -1.005481312e+00 -4.112076809e-01 -4.112076809e-01 -1.090137671e+00 -1.090137671e+00 2.92 -6.518181159e-01 -6.518181159e-01 -9.716554535e-01 -9.716554535e-01 -3.977983755e-01 -3.977983755e-01 -1.054849749e+00 -1.054849749e+00 2.94 -6.304377678e-01 -6.304377678e-01 -9.386093154e-01 -9.386093154e-01 -3.846599042e-01 -3.846599042e-01 -1.020479659e+00 -1.020479659e+00 2.96 -6.096731325e-01 -6.096731325e-01 -9.063713972e-01 -9.063713972e-01 -3.718061985e-01 -3.718061985e-01 -9.870395901e-01 -9.870395901e-01 2.98 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