# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = AlMn # 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 2025-07-01 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 2.457537481e+02 2.457537481e+02 nan nan 0.86 nan nan nan nan 2.238575576e+02 2.238575576e+02 nan nan 0.88 nan nan nan nan 2.042051200e+02 2.042051200e+02 nan nan 0.90 nan nan nan nan 1.865721895e+02 1.865721895e+02 nan nan 0.92 nan nan nan nan 1.704073615e+02 1.704073615e+02 nan nan 0.94 nan nan nan nan 1.560012465e+02 1.560012465e+02 nan nan 0.96 2.446868727e+02 2.446868727e+02 nan nan 1.427943117e+02 1.427943117e+02 nan nan 0.98 2.248814581e+02 2.248814581e+02 nan nan 1.305926584e+02 1.305926584e+02 nan nan 1.00 2.070127496e+02 2.070127496e+02 nan nan 1.198327394e+02 1.198327394e+02 nan nan 1.02 1.901362084e+02 1.901362084e+02 nan nan 1.097803136e+02 1.097803136e+02 nan nan 1.04 1.752124983e+02 1.752124983e+02 nan nan 1.005164387e+02 1.005164387e+02 nan nan 1.06 1.612296831e+02 1.612296831e+02 nan nan 9.225324154e+01 9.225324154e+01 nan nan 1.08 1.484801467e+02 1.484801467e+02 2.120169009e+02 2.120169009e+02 8.493109808e+01 8.493109808e+01 2.276397230e+02 2.276397230e+02 1.10 1.370560723e+02 1.370560723e+02 1.963001067e+02 1.963001067e+02 7.801734693e+01 7.801734693e+01 2.107416960e+02 2.107416960e+02 1.12 1.261541247e+02 1.261541247e+02 1.814539257e+02 1.814539257e+02 7.165670083e+01 7.165670083e+01 1.950639126e+02 1.950639126e+02 1.14 1.160847893e+02 1.160847893e+02 1.676603674e+02 1.676603674e+02 6.570553308e+01 6.570553308e+01 1.806837730e+02 1.806837730e+02 1.16 1.071016808e+02 1.071016808e+02 1.551741171e+02 1.551741171e+02 6.036878049e+01 6.036878049e+01 1.673873045e+02 1.673873045e+02 1.18 9.890656587e+01 9.890656587e+01 1.435707907e+02 1.435707907e+02 5.549792046e+01 5.549792046e+01 1.552025080e+02 1.552025080e+02 1.20 9.102402766e+01 9.102402766e+01 1.333523245e+02 1.333523245e+02 5.108129843e+01 5.108129843e+01 1.437640641e+02 1.437640641e+02 1.22 8.392238264e+01 8.392238264e+01 1.234210211e+02 1.234210211e+02 4.698999602e+01 4.698999602e+01 1.334267888e+02 1.334267888e+02 1.24 7.763398194e+01 7.763398194e+01 1.141062967e+02 1.141062967e+02 4.309369181e+01 4.309369181e+01 1.236327277e+02 1.236327277e+02 1.26 7.151279044e+01 7.151279044e+01 1.057822016e+02 1.057822016e+02 3.956752076e+01 3.956752076e+01 1.147224312e+02 1.147224312e+02 1.28 6.582374028e+01 6.582374028e+01 9.790287876e+01 9.790287876e+01 3.635647596e+01 3.635647596e+01 1.063641423e+02 1.063641423e+02 1.30 6.065626051e+01 6.065626051e+01 9.069004300e+01 9.069004300e+01 3.351741270e+01 3.351741270e+01 9.852648188e+01 9.852648188e+01 1.32 5.575675526e+01 5.575675526e+01 8.381436756e+01 8.381436756e+01 3.070932484e+01 3.070932484e+01 9.131354606e+01 9.131354606e+01 1.34 5.123513773e+01 5.123513773e+01 7.781419231e+01 7.781419231e+01 2.818396308e+01 2.818396308e+01 8.457645364e+01 8.457645364e+01 1.36 4.718701832e+01 4.718701832e+01 7.187476853e+01 7.187476853e+01 2.580189964e+01 2.580189964e+01 7.838404587e+01 7.838404587e+01 1.38 4.354693238e+01 4.354693238e+01 6.640211925e+01 6.640211925e+01 2.364134060e+01 2.364134060e+01 7.267831693e+01 7.267831693e+01 1.40 3.994625332e+01 3.994625332e+01 6.129488458e+01 6.129488458e+01 2.161919311e+01 2.161919311e+01 6.735366538e+01 6.735366538e+01 1.42 3.675006043e+01 3.675006043e+01 5.655740523e+01 5.655740523e+01 1.975650691e+01 1.975650691e+01 6.241837129e+01 6.241837129e+01 1.44 3.366099227e+01 3.366099227e+01 5.247999999e+01 5.247999999e+01 1.819948649e+01 1.819948649e+01 5.768958720e+01 5.768958720e+01 1.46 3.091427266e+01 3.091427266e+01 4.864129248e+01 4.864129248e+01 1.687644834e+01 1.687644834e+01 5.336171897e+01 5.336171897e+01 1.48 2.826180455e+01 2.826180455e+01 4.479440258e+01 4.479440258e+01 1.537540495e+01 1.537540495e+01 4.945938442e+01 4.945938442e+01 1.50 2.600225068e+01 2.600225068e+01 4.122286453e+01 4.122286453e+01 1.399192807e+01 1.399192807e+01 4.566335809e+01 4.566335809e+01 1.52 2.371439573e+01 2.371439573e+01 3.804077463e+01 3.804077463e+01 1.271651396e+01 1.271651396e+01 4.221783208e+01 4.221783208e+01 1.54 2.182070914e+01 2.182070914e+01 3.516964214e+01 3.516964214e+01 1.165174364e+01 1.165174364e+01 3.892337436e+01 3.892337436e+01 1.56 1.984120021e+01 1.984120021e+01 3.227386936e+01 3.227386936e+01 1.055624505e+01 1.055624505e+01 3.586543356e+01 3.586543356e+01 1.58 1.804441444e+01 1.804441444e+01 2.962929626e+01 2.962929626e+01 9.591391689e+00 9.591391689e+00 3.309155593e+01 3.309155593e+01 1.60 1.634801437e+01 1.634801437e+01 2.712614622e+01 2.712614622e+01 8.655648205e+00 8.655648205e+00 3.047316670e+01 3.047316670e+01 1.62 1.477906977e+01 1.477906977e+01 2.480049200e+01 2.480049200e+01 7.792708769e+00 7.792708769e+00 2.795028988e+01 2.795028988e+01 1.64 1.332806871e+01 1.332806871e+01 2.263960717e+01 2.263960717e+01 6.996901648e+00 6.996901648e+00 2.560351909e+01 2.560351909e+01 1.66 1.198625804e+01 1.198625804e+01 2.076183845e+01 2.076183845e+01 6.263027403e+00 6.263027403e+00 2.342040351e+01 2.342040351e+01 1.68 1.074557677e+01 1.074557677e+01 1.899456217e+01 1.899456217e+01 5.641193042e+00 5.641193042e+00 2.146469705e+01 2.146469705e+01 1.70 9.857673438e+00 9.857673438e+00 1.724076424e+01 1.724076424e+01 5.012285234e+00 5.012285234e+00 1.972391012e+01 1.972391012e+01 1.72 8.775368730e+00 8.775368730e+00 1.561172547e+01 1.561172547e+01 4.432587434e+00 4.432587434e+00 1.794628914e+01 1.794628914e+01 1.74 7.775481360e+00 7.775481360e+00 1.422939801e+01 1.422939801e+01 4.029025242e+00 4.029025242e+00 1.636745724e+01 1.636745724e+01 1.76 6.963798902e+00 6.963798902e+00 1.281346646e+01 1.281346646e+01 3.525907360e+00 3.525907360e+00 1.482356232e+01 1.482356232e+01 1.78 6.101525390e+00 6.101525390e+00 1.149896211e+01 1.149896211e+01 3.062567281e+00 3.062567281e+00 1.356497565e+01 1.356497565e+01 1.80 5.305838867e+00 5.305838867e+00 1.027888969e+01 1.027888969e+01 2.636015019e+00 2.636015019e+00 1.221616891e+01 1.221616891e+01 1.82 4.618106861e+00 4.618106861e+00 9.319926140e+00 9.319926140e+00 2.243495333e+00 2.243495333e+00 1.100094678e+01 1.100094678e+01 1.84 3.937855678e+00 3.937855678e+00 8.255965081e+00 8.255965081e+00 1.882467896e+00 1.882467896e+00 9.833200793e+00 9.833200793e+00 1.86 3.311102483e+00 3.311102483e+00 7.490954268e+00 7.490954268e+00 1.661349685e+00 1.661349685e+00 8.837272576e+00 8.837272576e+00 1.88 2.734008617e+00 2.734008617e+00 6.558358049e+00 6.558358049e+00 1.347347320e+00 1.347347320e+00 7.823281026e+00 7.823281026e+00 1.90 2.321179835e+00 2.321179835e+00 5.694503612e+00 5.694503612e+00 1.059077932e+00 1.059077932e+00 6.956724476e+00 6.956724476e+00 1.92 1.823549137e+00 1.823549137e+00 4.894713385e+00 4.894713385e+00 7.946361167e-01 7.946361167e-01 6.124020231e+00 6.124020231e+00 1.94 1.366414359e+00 1.366414359e+00 4.221355723e+00 4.221355723e+00 6.189792037e-01 6.189792037e-01 5.305303047e+00 5.305303047e+00 1.96 9.468792566e-01 9.468792566e-01 3.531935183e+00 3.531935183e+00 3.920306162e-01 3.920306162e-01 4.590811223e+00 4.590811223e+00 1.98 5.622558634e-01 5.622558634e-01 2.894789464e+00 2.894789464e+00 1.843888633e-01 1.843888633e-01 3.884616737e+00 3.884616737e+00 2.00 3.453253006e-01 3.453253006e-01 2.306383050e+00 2.306383050e+00 -5.367712855e-03 -5.367712855e-03 3.230853202e+00 3.230853202e+00 2.02 1.336674773e-02 1.336674773e-02 1.763422592e+00 1.763422592e+00 -1.785553153e-01 -1.785553153e-01 2.626031062e+00 2.626031062e+00 2.04 -2.899321742e-01 -2.899321742e-01 1.262839190e+00 1.262839190e+00 -3.363929589e-01 -3.363929589e-01 2.211620639e+00 2.211620639e+00 2.06 -5.666235629e-01 -5.666235629e-01 8.017720896e-01 8.017720896e-01 -4.800100434e-01 -4.800100434e-01 1.684539268e+00 1.684539268e+00 2.08 -8.186150161e-01 -8.186150161e-01 3.775536706e-01 3.775536706e-01 -6.104532956e-01 -6.104532956e-01 1.198051399e+00 1.198051399e+00 2.10 -9.669571597e-01 -9.669571597e-01 9.305545731e-02 9.305545731e-02 -6.789411098e-01 -6.789411098e-01 7.701483604e-01 7.701483604e-01 2.12 -1.118211445e+00 -1.118211445e+00 -2.237158958e-01 -2.237158958e-01 -7.624255429e-01 -7.624255429e-01 3.728420593e-01 3.728420593e-01 2.14 -1.316224676e+00 -1.316224676e+00 -5.622948173e-01 -5.622948173e-01 -8.642088575e-01 -8.642088575e-01 -1.001198224e-02 -1.001198224e-02 2.16 -1.495204654e+00 -1.495204654e+00 -8.722582552e-01 -8.722582552e-01 -9.559147799e-01 -9.559147799e-01 -3.397002681e-01 -3.397002681e-01 2.18 -1.656531305e+00 -1.656531305e+00 -1.155550014e+00 -1.155550014e+00 -1.038289658e+00 -1.038289658e+00 -6.199263765e-01 -6.199263765e-01 2.20 -1.801489017e+00 -1.801489017e+00 -1.413985506e+00 -1.413985506e+00 -1.112026466e+00 -1.112026466e+00 -9.201692334e-01 -9.201692334e-01 2.22 -1.931273422e+00 -1.931273422e+00 -1.649260579e+00 -1.649260579e+00 -1.177768764e+00 -1.177768764e+00 -1.194910274e+00 -1.194910274e+00 2.24 -1.980252423e+00 -1.980252423e+00 -1.729469208e+00 -1.729469208e+00 -1.102623855e+00 -1.102623855e+00 -1.445858142e+00 -1.445858142e+00 2.26 -2.087317150e+00 -2.087317150e+00 -1.931801366e+00 -1.931801366e+00 -1.162856434e+00 -1.162856434e+00 -1.674610804e+00 -1.674610804e+00 2.28 -2.182039151e+00 -2.182039151e+00 -2.114853682e+00 -2.114853682e+00 -1.216195330e+00 -1.216195330e+00 -1.882662991e+00 -1.882662991e+00 2.30 -2.265335551e+00 -2.265335551e+00 -2.279956321e+00 -2.279956321e+00 -1.263156722e+00 -1.263156722e+00 -2.071413101e+00 -2.071413101e+00 2.32 -2.338060619e+00 -2.338060619e+00 -2.428352939e+00 -2.428352939e+00 -1.304220693e+00 -1.304220693e+00 -2.155256374e+00 -2.155256374e+00 2.34 -2.401010115e+00 -2.401010115e+00 -2.561206433e+00 -2.561206433e+00 -1.339833795e+00 -1.339833795e+00 -2.314968045e+00 -2.314968045e+00 2.36 -2.454925313e+00 -2.454925313e+00 -2.679604284e+00 -2.679604284e+00 -1.370411432e+00 -1.370411432e+00 -2.370755339e+00 -2.370755339e+00 2.38 -2.500496743e+00 -2.500496743e+00 -2.784563521e+00 -2.784563521e+00 -1.396340056e+00 -1.396340056e+00 -2.505043297e+00 -2.505043297e+00 2.40 -2.538367663e+00 -2.538367663e+00 -2.877035345e+00 -2.877035345e+00 -1.417979210e+00 -1.417979210e+00 -2.625117890e+00 -2.625117890e+00 2.42 -2.569137282e+00 -2.569137282e+00 -2.957909431e+00 -2.957909431e+00 -1.435663412e+00 -1.435663412e+00 -2.656153883e+00 -2.656153883e+00 2.44 -2.593363754e+00 -2.593363754e+00 -2.888721681e+00 -2.888721681e+00 -1.449703904e+00 -1.449703904e+00 -2.755508595e+00 -2.755508595e+00 2.46 -2.611566968e+00 -2.611566968e+00 -2.957179833e+00 -2.957179833e+00 -1.460390281e+00 -1.460390281e+00 -2.843108470e+00 -2.843108470e+00 2.48 -2.624231130e+00 -2.624231130e+00 -3.015882092e+00 -3.015882092e+00 -1.467991983e+00 -1.467991983e+00 -2.919778995e+00 -2.919778995e+00 2.50 -2.631807173e+00 -2.631807173e+00 -3.065538646e+00 -3.065538646e+00 -1.472759703e+00 -1.472759703e+00 -2.986293241e+00 -2.986293241e+00 2.52 -2.634715001e+00 -2.634715001e+00 -2.994477735e+00 -2.994477735e+00 -1.418758555e+00 -1.418758555e+00 -3.043375189e+00 -3.043375189e+00 2.54 -2.633345567e+00 -2.633345567e+00 -3.034875974e+00 -3.034875974e+00 -1.421982986e+00 -1.421982986e+00 -3.045308690e+00 -3.045308690e+00 2.56 -2.628062817e+00 -2.628062817e+00 -3.067677441e+00 -3.067677441e+00 -1.422816075e+00 -1.422816075e+00 -3.088187782e+00 -3.088187782e+00 2.58 -2.483138924e+00 -2.483138924e+00 -3.093451310e+00 -3.093451310e+00 -1.421458122e+00 -1.421458122e+00 -3.123388925e+00 -3.123388925e+00 2.60 -2.478760878e+00 -2.478760878e+00 -3.112730115e+00 -3.112730115e+00 -1.418095552e+00 -1.418095552e+00 -3.151477443e+00 -3.151477443e+00 2.62 -2.470978549e+00 -2.470978549e+00 -3.126012040e+00 -3.126012040e+00 -1.412901849e+00 -1.412901849e+00 -3.172982701e+00 -3.172982701e+00 2.64 -2.460089227e+00 -2.460089227e+00 -3.133763076e+00 -3.133763076e+00 -1.406038430e+00 -1.406038430e+00 -3.188400348e+00 -3.188400348e+00 2.66 -2.446369749e+00 -2.446369749e+00 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-3.014889707e+00 -3.014889707e+00 -1.278455856e+00 -1.278455856e+00 -3.073096540e+00 -3.073096540e+00 2.82 -2.144629210e+00 -2.144629210e+00 -2.990956703e+00 -2.990956703e+00 -1.263732367e+00 -1.263732367e+00 -3.055226657e+00 -3.055226657e+00 2.84 -2.121537932e+00 -2.121537932e+00 -2.964685360e+00 -2.964685360e+00 -1.248361018e+00 -1.248361018e+00 -3.034562812e+00 -3.034562812e+00 2.86 -2.097166912e+00 -2.097166912e+00 -2.936300306e+00 -2.936300306e+00 -1.232417842e+00 -1.232417842e+00 -3.011353978e+00 -3.011353978e+00 2.88 -2.071658120e+00 -2.071658120e+00 -2.906011053e+00 -2.906011053e+00 -1.215973380e+00 -1.215973380e+00 -2.985832821e+00 -2.985832821e+00 2.90 -2.045143469e+00 -2.045143469e+00 -2.874012930e+00 -2.874012930e+00 -1.199093036e+00 -1.199093036e+00 -2.958216690e+00 -2.958216690e+00 2.92 -2.017745459e+00 -2.017745459e+00 -2.840487961e+00 -2.840487961e+00 -1.181837419e+00 -1.181837419e+00 -2.890501492e+00 -2.890501492e+00 2.94 -1.989577777e+00 -1.989577777e+00 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