# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1 # composition = Al # 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 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 nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan 1.633303930e+02 nan 0.74 nan nan nan nan nan nan nan nan 1.502064634e+02 nan 0.76 nan nan nan nan nan nan nan nan 1.384789336e+02 nan 0.78 nan nan nan nan nan 1.101239628e+02 nan nan 1.279069748e+02 nan 0.80 nan nan nan nan nan 1.014338051e+02 nan nan 1.183236168e+02 nan 0.82 nan nan nan nan nan 9.351751139e+01 nan nan 1.095849395e+02 nan 0.84 nan nan nan nan nan 8.630719886e+01 nan nan 1.016619361e+02 nan 0.86 nan nan nan nan nan 7.977479054e+01 nan nan 9.447859555e+01 nan 0.88 nan nan nan 1.680389370e+02 1.680289076e+02 7.384075185e+01 nan nan 8.791143757e+01 1.188087379e+02 0.90 nan 1.109260037e+02 nan 1.569415715e+02 1.569245519e+02 6.846270880e+01 1.126157837e+02 nan 8.188587866e+01 1.109212256e+02 0.92 nan 1.038480994e+02 nan 1.468387606e+02 1.468250164e+02 6.353124910e+01 1.053475228e+02 nan 7.633747719e+01 1.036851799e+02 0.94 nan 9.735685801e+01 nan 1.376507881e+02 1.376531758e+02 5.894595788e+01 9.866764185e+01 nan 7.119806027e+01 9.701425523e+01 0.96 nan 9.137451366e+01 nan 1.292359745e+02 1.292536371e+02 5.473057864e+01 9.251431333e+01 nan 6.641471249e+01 9.087174352e+01 0.98 nan 8.583388390e+01 nan 1.214880382e+02 1.215051588e+02 5.088451735e+01 8.680532614e+01 nan 6.197528309e+01 8.524400448e+01 1.00 1.143014117e+02 8.069680088e+01 1.051040747e+02 1.143350244e+02 1.143302307e+02 4.738297953e+01 8.152422013e+01 1.078404639e+02 5.787188409e+01 8.004504145e+01 1.02 1.077928063e+02 7.592658501e+01 9.911201668e+01 1.077530445e+02 1.077331850e+02 4.418247247e+01 7.664521558e+01 1.016701171e+02 5.407580612e+01 7.517563955e+01 1.04 1.017549454e+02 7.148059759e+01 9.352030757e+01 1.016747453e+02 1.016527312e+02 4.125325231e+01 7.210970832e+01 9.592290464e+01 5.055758706e+01 7.063136096e+01 1.06 9.609376772e+01 6.732498185e+01 8.828464363e+01 9.602761761e+01 9.600894937e+01 3.856199388e+01 6.787976008e+01 9.055147480e+01 4.729753713e+01 6.638433644e+01 1.08 9.079906386e+01 6.343701426e+01 8.341763905e+01 9.077446054e+01 9.076823785e+01 3.610028989e+01 6.391794116e+01 8.553587695e+01 4.426555694e+01 6.237454549e+01 1.10 8.585644659e+01 5.977080443e+01 7.885578760e+01 8.589193460e+01 8.590128661e+01 3.384407372e+01 6.017904718e+01 8.086303740e+01 4.143794311e+01 5.861250995e+01 1.12 8.125211688e+01 5.631366486e+01 7.457328415e+01 8.133088163e+01 8.135067912e+01 3.176914257e+01 5.662461745e+01 7.652092220e+01 3.879554784e+01 5.511840014e+01 1.14 7.697179695e+01 5.305704650e+01 7.056402765e+01 7.703809262e+01 7.705881260e+01 2.987975281e+01 5.326452829e+01 7.246953619e+01 3.632408815e+01 5.188055204e+01 1.16 7.296545048e+01 4.999868630e+01 6.679808777e+01 7.299216224e+01 7.300751553e+01 2.817466471e+01 5.011761132e+01 6.865933698e+01 3.401382043e+01 4.886795517e+01 1.18 6.920831734e+01 4.711119757e+01 6.327171169e+01 6.919044323e+01 6.919120616e+01 2.663037316e+01 4.718282348e+01 6.506629884e+01 3.185531150e+01 4.603324934e+01 1.20 6.566487528e+01 4.436301958e+01 5.997593984e+01 6.561567625e+01 6.559909524e+01 2.522428795e+01 4.443189171e+01 6.167653427e+01 2.983417789e+01 4.334984710e+01 1.22 6.231066249e+01 4.175432084e+01 5.685921024e+01 6.224856786e+01 6.222343282e+01 2.392583176e+01 4.184261895e+01 5.846165242e+01 2.793847200e+01 4.081420427e+01 1.24 5.912423153e+01 3.927300175e+01 5.386911251e+01 5.906950724e+01 5.904623377e+01 2.270142430e+01 3.939697958e+01 5.539885711e+01 2.616352951e+01 3.842762752e+01 1.26 5.607583603e+01 3.691742453e+01 5.099637792e+01 5.604972564e+01 5.603449627e+01 2.153780092e+01 3.708704026e+01 5.247096157e+01 2.450789333e+01 3.617722413e+01 1.28 5.316189067e+01 3.469727054e+01 4.825414928e+01 5.316960309e+01 5.316375329e+01 2.044036579e+01 3.491142384e+01 4.968017275e+01 2.297818365e+01 3.404697092e+01 1.30 5.039362171e+01 3.260150055e+01 4.564288022e+01 5.042086039e+01 5.042443013e+01 1.942433785e+01 3.285511182e+01 4.702748505e+01 2.157048489e+01 3.202467781e+01 1.32 4.776003998e+01 3.060802911e+01 4.314727639e+01 4.779800538e+01 4.781284849e+01 1.848905859e+01 3.089975534e+01 4.450513731e+01 2.027102727e+01 3.010639637e+01 1.34 4.525242279e+01 2.871385772e+01 4.075916617e+01 4.530072202e+01 4.532714665e+01 1.761719660e+01 2.903610319e+01 4.211200000e+01 1.906784657e+01 2.829463694e+01 1.36 4.287516135e+01 2.692688527e+01 3.850100327e+01 4.292567640e+01 4.295844824e+01 1.679075801e+01 2.725804782e+01 3.984590759e+01 1.795110501e+01 2.660322448e+01 1.38 4.062333833e+01 2.523630464e+01 3.637482236e+01 4.066369049e+01 4.069355560e+01 1.600820651e+01 2.557166146e+01 3.770100857e+01 1.690899334e+01 2.503636193e+01 1.40 3.848025702e+01 2.363139252e+01 3.436625350e+01 3.850325203e+01 3.852271182e+01 1.526533835e+01 2.398806990e+01 3.566258383e+01 1.593434679e+01 2.358320210e+01 1.42 3.643282463e+01 2.211728916e+01 3.245797132e+01 3.643796999e+01 3.644592857e+01 1.455602339e+01 2.251173702e+01 3.371724780e+01 1.500822163e+01 2.222954919e+01 1.44 3.448405701e+01 2.070209726e+01 3.063400927e+01 3.446863493e+01 3.446500117e+01 1.387112112e+01 2.113656792e+01 3.186318940e+01 1.412400965e+01 2.095708713e+01 1.46 3.263997306e+01 1.937666987e+01 2.889366308e+01 3.259853204e+01 3.258373595e+01 1.320344467e+01 1.985170155e+01 3.009479670e+01 1.327609478e+01 1.974838979e+01 1.48 3.088471738e+01 1.812643163e+01 2.724389055e+01 3.082294572e+01 3.080019641e+01 1.255033798e+01 1.864733409e+01 2.840141726e+01 1.246161707e+01 1.859809836e+01 1.50 2.919754007e+01 1.694073149e+01 2.567957124e+01 2.913102866e+01 2.910482769e+01 1.190842726e+01 1.751998043e+01 2.677684095e+01 1.168080351e+01 1.751822728e+01 1.52 2.756223378e+01 1.582257167e+01 2.419409955e+01 2.751481333e+01 2.749044582e+01 1.127803509e+01 1.646571536e+01 2.521922876e+01 1.093087490e+01 1.650966685e+01 1.54 2.598364705e+01 1.477412000e+01 2.278512879e+01 2.597065212e+01 2.595245252e+01 1.066535980e+01 1.547605962e+01 2.373325734e+01 1.020632430e+01 1.556426933e+01 1.56 2.448349891e+01 1.377660334e+01 2.144069667e+01 2.449988798e+01 2.448976343e+01 1.006859784e+01 1.452816013e+01 2.232627922e+01 9.506338544e+00 1.466720592e+01 1.58 2.306178506e+01 1.282235699e+01 2.014584804e+01 2.309748998e+01 2.309639871e+01 9.482078852e+00 1.361409058e+01 2.099479446e+01 8.831349699e+00 1.381363210e+01 1.60 2.171433916e+01 1.190485676e+01 1.889473906e+01 2.176037831e+01 2.176792843e+01 8.901000094e+00 1.273351513e+01 1.973594448e+01 8.179049588e+00 1.299832391e+01 1.62 2.044239444e+01 1.102064459e+01 1.769913785e+01 2.048845324e+01 2.050266035e+01 8.325321884e+00 1.189365289e+01 1.854590080e+01 7.548350565e+00 1.221739031e+01 1.64 1.924128460e+01 1.016965126e+01 1.657657737e+01 1.928273190e+01 1.930306222e+01 7.761281767e+00 1.109899532e+01 1.742283896e+01 6.941684068e+00 1.146497277e+01 1.66 1.810506102e+01 9.357592342e+00 1.553084502e+01 1.814195753e+01 1.816869316e+01 7.210865956e+00 1.034571577e+01 1.636756590e+01 6.359445478e+00 1.073648918e+01 1.68 1.703378892e+01 8.589349319e+00 1.454932650e+01 1.706451728e+01 1.709662676e+01 6.672551894e+00 9.628337256e+00 1.537853421e+01 5.798039538e+00 1.003337857e+01 1.70 1.602757672e+01 7.863792066e+00 1.361555798e+01 1.604807543e+01 1.608287544e+01 6.147345853e+00 8.941357128e+00 1.443824763e+01 5.254955798e+00 9.357154447e+00 1.72 1.507830735e+01 7.176745197e+00 1.272954505e+01 1.508648226e+01 1.512021156e+01 5.637945087e+00 8.280551199e+00 1.353185218e+01 4.731006815e+00 8.703199340e+00 1.74 1.416492248e+01 6.523275184e+00 1.188833657e+01 1.416223315e+01 1.419021065e+01 5.144179066e+00 7.644119197e+00 1.265714164e+01 4.228293474e+00 8.067979818e+00 1.76 1.328473070e+01 5.898275853e+00 1.108724060e+01 1.327234381e+01 1.328968251e+01 4.664521121e+00 7.030291687e+00 1.181551879e+01 3.747817461e+00 7.453058796e+00 1.78 1.243919232e+01 5.297746762e+00 1.032094841e+01 1.241760017e+01 1.242137678e+01 4.197189612e+00 6.436586280e+00 1.100766739e+01 3.289634071e+00 6.860574730e+00 1.80 1.162387101e+01 4.721315770e+00 9.583815564e+00 1.159786327e+01 1.158945152e+01 3.740276245e+00 5.863267773e+00 1.023186137e+01 2.852404504e+00 6.286994052e+00 1.82 1.083415393e+01 4.172025922e+00 8.871112767e+00 1.081096690e+01 1.079406999e+01 3.292328478e+00 5.311224639e+00 9.486800853e+00 2.434233974e+00 5.728441178e+00 1.84 1.007005276e+01 3.651304783e+00 8.182058587e+00 1.005508527e+01 1.003319597e+01 2.853788566e+00 4.778290827e+00 8.772825421e+00 2.033725056e+00 5.184803058e+00 1.86 9.338366656e+00 3.159199577e+00 7.521671923e+00 9.331531725e+00 9.306735200e+00 2.427920907e+00 4.263068639e+00 8.093269614e+00 1.650615965e+00 4.661488562e+00 1.88 8.643534872e+00 2.694230282e+00 6.892679930e+00 8.640493963e+00 8.613897335e+00 2.017059415e+00 3.765473948e+00 7.448400611e+00 1.285242115e+00 4.162026379e+00 1.90 7.983532805e+00 2.253347804e+00 6.291973081e+00 7.979631495e+00 7.952465721e+00 1.621009774e+00 3.285390838e+00 6.835233029e+00 9.375085160e-01 3.684773378e+00 1.92 7.355492121e+00 1.833256545e+00 5.715944129e+00 7.347972326e+00 7.321714998e+00 1.239783888e+00 2.823833116e+00 6.250278937e+00 6.080979351e-01 3.227627534e+00 1.94 6.756727832e+00 1.431139629e+00 5.162451442e+00 6.745890463e+00 6.722099734e+00 8.749340737e-01 2.382357792e+00 5.689904421e+00 2.980211759e-01 2.789289750e+00 1.96 6.185151264e+00 1.045620952e+00 4.632772255e+00 6.172167248e+00 6.152070388e+00 5.306329385e-01 1.962899835e+00 5.150687360e+00 7.485294927e-03 2.370237492e+00 1.98 5.638868391e+00 6.763734003e-01 4.130416060e+00 5.624368856e+00 5.608601776e+00 2.106753545e-01 1.565656878e+00 4.629547023e+00 -2.634468783e-01 1.972167541e+00 2.00 5.114656110e+00 3.219272113e-01 3.655380345e+00 5.099268437e+00 5.088333161e+00 -8.808875994e-02 1.189418975e+00 4.123771393e+00 -5.148829767e-01 1.595217597e+00 2.02 4.608273071e+00 -1.853682772e-02 3.205320148e+00 4.593248455e+00 4.587801389e+00 -3.694787826e-01 8.331817837e-01 3.632617309e+00 -7.478949950e-01 1.238562525e+00 2.04 4.115312733e+00 -3.433483600e-01 2.777531828e+00 4.103152397e+00 4.103979007e+00 -6.340604629e-01 4.965240663e-01 3.157062881e+00 -9.657462348e-01 9.014205362e-01 2.06 3.632353903e+00 -6.495468919e-01 2.368984462e+00 3.627086032e+00 3.634915010e+00 -8.820402196e-01 1.790918572e-01 2.698401806e+00 -1.172903391e+00 5.831017666e-01 2.08 3.159446230e+00 -9.340983152e-01 1.976340883e+00 3.164873656e+00 3.179893462e+00 -1.113650387e+00 -1.199622122e-01 2.259704624e+00 -1.370268660e+00 2.830155504e-01 2.10 2.702529292e+00 -1.196024403e+00 1.596214360e+00 2.719258365e+00 2.740401835e+00 -1.329142197e+00 -4.015115660e-01 1.843694741e+00 -1.556444675e+00 6.797873651e-04 2.12 2.268792570e+00 -1.435309881e+00 1.225941765e+00 2.293837288e+00 2.318837363e+00 -1.528771723e+00 -6.661648713e-01 1.450826617e+00 -1.731145324e+00 -2.642714418e-01 2.14 1.859159276e+00 -1.651746464e+00 8.649892698e-01 1.888809173e+00 1.915516554e+00 -1.712771666e+00 -9.139675960e-01 1.079723291e+00 -1.894174682e+00 -5.120951839e-01 2.16 1.472236544e+00 -1.845078823e+00 5.154749391e-01 1.503566286e+00 1.530804687e+00 -1.881318339e+00 -1.144054347e+00 7.288260391e-01 -2.044895667e+00 -7.429974692e-01 2.18 1.106562977e+00 -2.015579575e+00 1.793607709e-01 1.137382253e+00 1.164593985e+00 -2.034538878e+00 -1.354816786e+00 3.967520752e-01 -2.183188460e+00 -9.573266737e-01 2.20 7.606943587e-01 -2.165182070e+00 -1.415900341e-01 7.894505440e-01 8.160293821e-01 -2.172709947e+00 -1.544736318e+00 8.261020358e-02 -2.309407371e+00 -1.156057255e+00 2.22 4.333191810e-01 -2.298260582e+00 -4.442355172e-01 4.593602018e-01 4.845243767e-01 -2.296690155e+00 -1.714105527e+00 -2.136870595e-01 -2.423964106e+00 -1.341611694e+00 2.24 1.235142669e-01 -2.419178655e+00 -7.272727069e-01 1.464736443e-01 1.692292123e-01 -2.407586898e+00 -1.866547053e+00 -4.919437059e-01 -2.527375470e+00 -1.517900812e+00 2.26 -1.689220659e-01 -2.529745167e+00 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