# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Thetford-R--Mo # implementation = 1987--Ackland-G-J--Mo--LAMMPS--ipr4 # composition = Mo # 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 2025-12-17 r A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 6.394127920e+03 nan 0.62 nan nan nan nan nan nan nan nan 5.610102155e+03 nan 0.64 nan nan nan nan nan nan nan nan 4.934041202e+03 nan 0.66 nan nan nan nan nan 3.809866023e+03 nan nan 4.349405369e+03 nan 0.68 nan nan nan nan nan 3.374029117e+03 nan nan 3.842450703e+03 nan 0.70 nan nan nan nan nan 2.993872119e+03 nan nan 3.401634303e+03 nan 0.72 nan nan nan nan nan 2.661583576e+03 nan nan 3.017422265e+03 nan 0.74 nan nan nan 6.233950989e+03 6.234239096e+03 2.371013661e+03 nan nan 2.681764664e+03 nan 0.76 nan 3.442064278e+03 nan 5.589388925e+03 5.589557718e+03 2.116476513e+03 3.565891039e+03 nan 2.387607786e+03 3.540880528e+03 0.78 nan 3.072793697e+03 nan 5.019229994e+03 5.019270238e+03 1.892495659e+03 3.187742791e+03 nan 2.129037998e+03 3.168118039e+03 0.80 nan 2.747317316e+03 nan 4.513717759e+03 4.513620755e+03 1.694943830e+03 2.854320757e+03 nan 1.901380276e+03 2.839140501e+03 0.82 nan 2.459754412e+03 nan 4.064603353e+03 4.064524348e+03 1.520119781e+03 2.559805490e+03 nan 1.700667741e+03 2.547740779e+03 0.84 3.664939570e+03 2.205440975e+03 3.240273064e+03 3.665016306e+03 3.665066731e+03 1.365017344e+03 2.298796418e+03 3.365851238e+03 1.523295805e+03 2.289171479e+03 0.86 3.308485788e+03 1.979860087e+03 2.921062930e+03 3.308822536e+03 3.309011125e+03 1.227254394e+03 2.066978757e+03 3.035467903e+03 1.366235416e+03 2.059606518e+03 0.88 2.990099097e+03 1.779633066e+03 2.636410383e+03 2.990668621e+03 2.990953188e+03 1.104771092e+03 1.860919812e+03 2.740924994e+03 1.226999081e+03 1.855766155e+03 0.90 2.705789039e+03 1.601867873e+03 2.382266317e+03 2.706237456e+03 2.706522680e+03 9.957510144e+02 1.677459724e+03 2.478103699e+03 1.103316882e+03 1.674155157e+03 0.92 2.451619957e+03 1.443527959e+03 2.155054774e+03 2.451669947e+03 2.451872487e+03 8.983741665e+02 1.513927624e+03 2.243138321e+03 9.934135281e+02 1.512048297e+03 0.94 2.223693125e+03 1.302309914e+03 1.951991439e+03 2.223513048e+03 2.223598363e+03 8.112987401e+02 1.367981326e+03 2.032659138e+03 8.955905359e+02 1.367029983e+03 0.96 2.019021751e+03 1.176326752e+03 1.770442269e+03 2.018799952e+03 2.018787468e+03 7.334524910e+02 1.237497647e+03 1.843891578e+03 8.084450729e+02 1.237169030e+03 0.98 1.835029573e+03 1.063796683e+03 1.607425637e+03 1.834830269e+03 1.834721549e+03 6.636189113e+02 1.120454469e+03 1.674385621e+03 7.306173909e+02 1.120839786e+03 1.00 1.669435657e+03 9.629401518e+02 1.460798665e+03 1.669286280e+03 1.669098883e+03 6.008844401e+02 1.015387966e+03 1.521914577e+03 6.610220256e+02 1.016534339e+03 1.02 1.520195464e+03 8.724386396e+02 1.328702246e+03 1.520178761e+03 1.519976548e+03 5.443945563e+02 9.210957335e+02 1.384671882e+03 5.987270600e+02 9.229072878e+02 1.04 1.385651877e+03 7.912024726e+02 1.209548022e+03 1.385730395e+03 1.385607352e+03 4.934478686e+02 8.364207557e+02 1.261047515e+03 5.427950421e+02 8.388902078e+02 1.06 1.264119744e+03 7.183107192e+02 1.102013664e+03 1.264310036e+03 1.264347286e+03 4.474972438e+02 7.603783489e+02 1.149490110e+03 4.924487625e+02 7.633078374e+02 1.08 1.154332960e+03 6.527940972e+02 1.004980826e+03 1.154514795e+03 1.154663995e+03 4.060893359e+02 6.919751128e+02 1.048728558e+03 4.470700472e+02 6.953279033e+02 1.10 1.055064948e+03 5.937617518e+02 9.173804310e+02 1.055149869e+03 1.055355109e+03 3.687763916e+02 6.304217686e+02 9.575862503e+02 4.061274792e+02 6.341213198e+02 1.12 9.649935229e+02 5.404880958e+02 8.380625085e+02 9.650634344e+02 9.653058123e+02 3.350774090e+02 5.749746483e+02 8.749840039e+02 3.691143862e+02 5.787719761e+02 1.14 8.832207119e+02 4.924210756e+02 7.662314664e+02 8.833570688e+02 8.836071110e+02 3.046934061e+02 5.249572851e+02 8.000985965e+02 3.356047542e+02 5.286803044e+02 1.16 8.089620376e+02 4.490886243e+02 7.011789528e+02 8.091385861e+02 8.093579802e+02 2.773482835e+02 4.797100004e+02 7.322284240e+02 3.052080333e+02 4.833037499e+02 1.18 7.414963265e+02 4.099774312e+02 6.420704532e+02 7.416874026e+02 7.418556498e+02 2.525771949e+02 4.386692049e+02 6.707463891e+02 2.776364406e+02 4.420605887e+02 1.20 6.802293760e+02 3.746864622e+02 5.883133840e+02 6.804097266e+02 6.805064972e+02 2.300992201e+02 4.014021925e+02 6.150658400e+02 2.526520682e+02 4.044987435e+02 1.22 6.246782628e+02 3.427547082e+02 5.394410909e+02 6.247774768e+02 6.247784763e+02 2.096978227e+02 3.675052430e+02 5.645840849e+02 2.300258695e+02 3.702383910e+02 1.24 5.743509232e+02 3.137127886e+02 4.950635785e+02 5.742774660e+02 5.741693142e+02 1.911914842e+02 3.366360947e+02 5.186813533e+02 2.094772597e+02 3.389477993e+02 1.26 5.284527069e+02 2.872542287e+02 4.548457922e+02 5.282616853e+02 5.280890344e+02 1.744142743e+02 3.085011320e+02 4.768187958e+02 1.907810067e+02 3.103480514e+02 1.28 4.865213220e+02 2.631134281e+02 4.183664952e+02 4.862755727e+02 4.860712566e+02 1.592278504e+02 2.828320115e+02 4.386124307e+02 1.737450419e+02 2.842053075e+02 1.30 4.481818139e+02 2.410556393e+02 3.852179235e+02 4.479336604e+02 4.477110856e+02 1.455051343e+02 2.593555558e+02 4.037269470e+02 1.582174650e+02 2.603198324e+02 1.32 4.131090062e+02 2.208765823e+02 3.549486047e+02 4.128785690e+02 4.126571532e+02 1.330428182e+02 2.378135915e+02 3.718334621e+02 1.440863570e+02 2.385357110e+02 1.34 3.810039095e+02 2.024004736e+02 3.272429539e+02 3.808075862e+02 3.806152082e+02 1.217035374e+02 2.180191117e+02 3.426266153e+02 1.312516723e+02 2.186831910e+02 1.36 3.515497122e+02 1.854842501e+02 3.018511278e+02 3.514264637e+02 3.513019086e+02 1.113810654e+02 1.998187540e+02 3.158695334e+02 1.195809517e+02 2.004667429e+02 1.38 3.245060099e+02 1.700084678e+02 2.785514937e+02 3.244883049e+02 3.244631979e+02 1.019820778e+02 1.830789273e+02 2.913571126e+02 1.089458815e+02 1.837410027e+02 1.40 2.996776615e+02 1.558614514e+02 2.571570283e+02 2.997537138e+02 2.998192900e+02 9.343149640e+01 1.676906246e+02 2.688747454e+02 9.926100923e+01 1.684044224e+02 1.42 2.768898523e+02 1.429177867e+02 2.374854290e+02 2.770364671e+02 2.771736803e+02 8.564850212e+01 1.535638115e+02 2.482288828e+02 9.041901936e+01 1.543667032e+02 1.44 2.559919751e+02 1.310376908e+02 2.193389886e+02 2.561773648e+02 2.563575117e+02 7.852595898e+01 1.405801571e+02 2.292746773e+02 8.234749898e+01 1.415533296e+02 1.46 2.368483402e+02 1.200934841e+02 2.025664624e+02 2.370354409e+02 2.372211129e+02 7.199266233e+01 1.286587770e+02 2.118657814e+02 7.498444607e+01 1.298969724e+02 1.48 2.192054360e+02 1.099765079e+02 1.870435157e+02 2.193820711e+02 2.195605195e+02 6.599766247e+01 1.177493171e+02 1.957956960e+02 6.826805525e+01 1.192075197e+02 1.50 2.028904258e+02 1.006023576e+02 1.726573696e+02 2.030532002e+02 2.032204105e+02 6.049062073e+01 1.077699357e+02 1.809306191e+02 6.211242178e+01 1.093673668e+02 1.52 1.877839185e+02 9.190649139e+01 1.593069344e+02 1.879287581e+02 1.880799880e+02 5.542307932e+01 9.861764819e+01 1.671694892e+02 5.646020358e+01 1.003049795e+02 1.54 1.737798868e+02 8.383614187e+01 1.469047298e+02 1.739034922e+02 1.740334160e+02 5.075220705e+01 9.022940963e+01 1.544236492e+02 5.126621183e+01 9.195612671e+01 1.56 1.607853323e+02 7.634846314e+01 1.353760959e+02 1.608851019e+02 1.609878883e+02 4.644049925e+01 8.255001347e+01 1.426196893e+02 4.649237243e+01 8.426333288e+01 1.58 1.487319468e+02 6.940260320e+01 1.246584929e+02 1.488001158e+02 1.488679553e+02 4.245551118e+01 7.547583936e+01 1.316947269e+02 4.210486946e+01 7.717539578e+01 1.60 1.375556177e+02 6.296415814e+01 1.147013858e+02 1.375820852e+02 1.376063070e+02 3.876962126e+01 6.894587162e+01 1.215551993e+02 3.807027970e+01 7.064696863e+01 1.62 1.271970863e+02 5.700553194e+01 1.054720864e+02 1.271732828e+02 1.271468380e+02 3.535982079e+01 6.291880645e+01 1.121242341e+02 3.436108604e+01 6.463818314e+01 1.64 1.175846253e+02 5.149447109e+01 9.692931853e+01 1.175082221e+02 1.174303244e+02 3.220775025e+01 5.735831718e+01 1.033424382e+02 3.095123317e+01 5.910317231e+01 1.66 1.086140068e+02 4.638400520e+01 8.901832862e+01 1.085005599e+02 1.083867343e+02 2.930423437e+01 5.223296975e+01 9.514494917e+01 2.781753167e+01 5.398001393e+01 1.68 1.002313272e+02 4.165382149e+01 8.171799664e+01 1.001031921e+02 9.997505706e+01 2.664157508e+01 4.751247412e+01 8.748958465e+01 2.493992455e+01 4.923210989e+01 1.70 9.239280098e+01 3.728932329e+01 7.501245230e+01 9.227788274e+01 9.216296450e+01 2.421340006e+01 4.316316328e+01 8.033896081e+01 2.229256638e+01 4.483316827e+01 1.72 8.506058772e+01 3.328028532e+01 6.880221569e+01 8.497025973e+01 8.487993174e+01 2.197167587e+01 3.914127839e+01 7.366135932e+01 1.985228994e+01 4.076024927e+01 1.74 7.820088163e+01 2.962002947e+01 6.300652179e+01 7.813434036e+01 7.806779909e+01 1.987789645e+01 3.541900880e+01 6.743057972e+01 1.760302296e+01 3.698773591e+01 1.76 7.178514235e+01 2.626249774e+01 5.759552998e+01 7.174253518e+01 7.169992802e+01 1.791921936e+01 3.197149954e+01 6.162663156e+01 1.552753265e+01 3.349271779e+01 1.78 6.578984148e+01 2.317354321e+01 5.254234643e+01 6.577057815e+01 6.575131483e+01 1.608450462e+01 2.877590605e+01 5.623590212e+01 1.361457878e+01 3.025484939e+01 1.80 6.019623623e+01 2.034276756e+01 4.782384588e+01 6.019854852e+01 6.020086080e+01 1.436576451e+01 2.581169128e+01 5.124758038e+01 1.185503141e+01 2.725622505e+01 1.82 5.499016747e+01 1.775274811e+01 4.341997201e+01 5.501087979e+01 5.503159210e+01 1.275732880e+01 2.306257331e+01 4.663948208e+01 1.023695491e+01 2.448126876e+01 1.84 5.016187978e+01 1.537417973e+01 3.931173497e+01 5.019617891e+01 5.023047804e+01 1.125301830e+01 2.051178371e+01 4.237840340e+01 8.740298189e+00 2.191663738e+01 1.86 4.571040674e+01 1.319545743e+01 3.548242162e+01 4.575047255e+01 4.579053836e+01 9.848101505e+00 1.814363799e+01 3.845987023e+01 7.355163093e+00 1.955666917e+01 1.88 4.163755347e+01 1.120626054e+01 3.191748078e+01 4.167243029e+01 4.170730712e+01 8.539260381e+00 1.594447171e+01 3.483058434e+01 6.075257610e+00 1.739777124e+01 1.90 3.786744951e+01 9.389371848e+00 2.860441263e+01 3.789359335e+01 3.791973719e+01 7.324546919e+00 1.390460228e+01 3.144676622e+01 4.895992298e+00 1.540709477e+01 1.92 3.434702868e+01 7.730018888e+00 2.553267034e+01 3.436570661e+01 3.438438454e+01 6.203344075e+00 1.201599980e+01 2.829228881e+01 3.812241166e+00 1.356004991e+01 1.94 3.106002725e+01 6.216999245e+00 2.269357263e+01 3.107295404e+01 3.108588084e+01 5.176330649e+00 1.027000775e+01 2.535218615e+01 2.820061155e+00 1.184495223e+01 1.96 2.799133153e+01 4.839673013e+00 2.008022619e+01 2.800075181e+01 2.801017208e+01 4.245449750e+00 8.658815399e+00 2.261257445e+01 1.916668368e+00 1.025112843e+01 1.98 2.512689057e+01 3.587924443e+00 1.768745701e+01 2.513566087e+01 2.514443118e+01 3.413880532e+00 7.177449673e+00 2.006057597e+01 1.100412918e+00 8.768863565e+00 2.00 2.245363796e+01 2.452128467e+00 1.550559835e+01 2.246479634e+01 2.247595471e+01 2.679861515e+00 5.817267490e+00 1.768431374e+01 3.696116189e-01 7.389353597e+00 2.02 1.995942698e+01 1.423121586e+00 1.349053213e+01 1.997327033e+01 1.998711368e+01 2.006762819e+00 4.561350995e+00 1.547481217e+01 -2.945268588e-01 6.104672348e+00 2.04 1.763297275e+01 4.921766781e-01 1.162512462e+01 1.764925784e+01 1.766554293e+01 1.384548617e+00 3.402756872e+00 1.342298169e+01 -9.012965916e-01 4.907742156e+00 2.06 1.546383817e+01 -3.489956959e-01 9.899068550e+00 1.548229476e+01 1.550075135e+01 8.096161899e-01 2.335474276e+00 1.151956458e+01 -1.453635467e+00 3.792330266e+00 2.08 1.344508534e+01 -1.106599631e+00 8.304472721e+00 1.346473377e+01 1.348438221e+01 2.785024496e-01 1.354270159e+00 9.756996359e+00 -1.953932217e+00 2.754665005e+00 2.10 1.156961778e+01 -1.787002007e+00 6.833274696e+00 1.158898905e+01 1.160836032e+01 -2.121288304e-01 4.546690074e-01 8.128121291e+00 -2.404039093e+00 1.791221111e+00 2.12 9.829376635e+00 -2.397223790e+00 5.476669818e+00 9.846923299e+00 9.864469963e+00 -6.654974914e-01 -3.670651340e-01 6.625894845e+00 -2.805283135e+00 8.982338334e-01 2.14 8.216962562e+00 -2.943931316e+00 4.226255167e+00 8.231057297e+00 8.245152031e+00 -1.084715181e+00 -1.113858948e+00 5.243926697e+00 -3.158081497e+00 7.268703070e-02 2.16 6.725606447e+00 -3.433446811e+00 3.075449670e+00 6.734883764e+00 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