# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag3Au # 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 2024-04-11 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.342433971e+02 nan nan 1.16 3.073856914e+02 nan nan 1.18 2.827388816e+02 nan nan 1.20 2.601060827e+02 nan nan 1.22 2.393087539e+02 nan nan 1.24 2.201856758e+02 nan nan 1.26 2.025914546e+02 nan nan 1.28 1.863946126e+02 2.893688724e+02 3.319338667e+02 1.30 1.714760078e+02 2.679729117e+02 3.079801222e+02 1.32 1.577276733e+02 2.481788338e+02 2.857945282e+02 1.34 1.450516989e+02 2.298575224e+02 2.652345608e+02 1.36 1.333591245e+02 2.128911479e+02 2.461702982e+02 1.38 1.225690661e+02 1.971720872e+02 2.284834997e+02 1.40 1.126080327e+02 1.826018706e+02 2.120667687e+02 1.42 1.034091778e+02 1.690903537e+02 1.968226746e+02 1.44 9.491142267e+01 1.565551588e+02 1.826626573e+02 1.46 8.705870141e+01 1.449212144e+02 1.695057024e+02 1.48 7.979954023e+01 1.341202111e+02 1.572770704e+02 1.50 7.308689275e+01 1.240898882e+02 1.459074219e+02 1.52 6.688754311e+01 1.147731864e+02 1.353324206e+02 1.54 6.117039461e+01 1.061174212e+02 1.254926117e+02 1.56 5.590170736e+01 9.807366152e+01 1.163333027e+02 1.58 5.104647994e+01 9.059638728e+01 1.078043018e+02 1.60 4.657193164e+01 8.364335342e+01 9.985953204e+01 1.62 4.244799695e+01 7.717551642e+01 9.245663296e+01 1.64 3.864713038e+01 7.115720900e+01 8.555663317e+01 1.66 3.514412360e+01 6.556531284e+01 7.912369455e+01 1.68 3.191593132e+01 6.037416961e+01 7.312487842e+01 1.70 2.894147466e+01 5.555794413e+01 6.753418228e+01 1.72 2.620141477e+01 5.108961898e+01 6.233283366e+01 1.74 2.367792064e+01 4.694382521e+01 5.749717626e+01 1.76 2.135446166e+01 4.309715151e+01 5.300285401e+01 1.78 1.921564872e+01 3.952796084e+01 4.882582878e+01 1.80 1.724713513e+01 3.621624445e+01 4.494373712e+01 1.82 1.543557130e+01 3.314352646e+01 4.133579607e+01 1.84 1.376859359e+01 3.029279531e+01 3.798271353e+01 1.86 1.223482445e+01 2.764842058e+01 3.486657925e+01 1.88 1.082386292e+01 2.519603349e+01 3.197074146e+01 1.90 9.526248288e+00 2.292237817e+01 2.927969685e+01 1.92 8.333390958e+00 2.081515664e+01 2.677901823e+01 1.94 7.237480551e+00 1.886289226e+01 2.445531587e+01 1.96 6.231389942e+00 1.705482945e+01 2.229620321e+01 1.98 5.308589997e+00 1.538087470e+01 2.029024081e+01 2.00 4.463079485e+00 1.383156915e+01 1.842685615e+01 2.02 3.689326094e+00 1.239807504e+01 1.669625668e+01 2.04 2.982211698e+00 1.107216018e+01 1.508935500e+01 2.06 2.336977307e+00 9.846171141e+00 1.359771580e+01 2.08 1.749167888e+00 8.712995214e+00 1.221352213e+01 2.10 1.214581125e+00 7.666017285e+00 1.092955075e+01 2.12 7.292259865e-01 6.699079176e+00 9.739143337e+00 2.14 2.892963283e-01 5.806445974e+00 8.636163250e+00 2.16 -1.088377811e-01 4.982780632e+00 7.614935252e+00 2.18 -4.686222145e-01 4.223126271e+00 6.670172252e+00 2.20 -7.932994902e-01 3.522894210e+00 5.796899198e+00 2.22 -1.085885384e+00 2.877853862e+00 4.990387849e+00 2.24 -1.349148924e+00 2.284119660e+00 4.246116113e+00 2.26 -1.585601494e+00 1.738131559e+00 3.559759351e+00 2.28 -1.797498073e+00 1.236628734e+00 2.927209149e+00 2.30 -1.986850891e+00 7.766186625e-01 2.344604082e+00 2.32 -2.155453363e+00 3.553445377e-01 1.808354305e+00 2.34 -2.304910208e+00 -2.974641528e-02 1.315148652e+00 2.36 -2.436668970e+00 -3.810320293e-01 8.619432389e-01 2.38 -2.552066194e+00 -7.007404890e-01 4.459373730e-01 2.40 -2.652393867e+00 -9.909712173e-01 6.454392565e-02 2.42 -2.738698976e+00 -1.253711368e+00 -2.846407052e-01 2.44 -2.811957539e+00 -1.490848523e+00 -6.038639711e-01 2.46 -2.873110981e+00 -1.704180492e+00 -8.952397515e-01 2.48 -2.923067913e+00 -1.895422967e+00 -1.160763989e+00 2.50 -2.962701935e+00 -2.066215617e+00 -1.402321545e+00 2.52 -2.992845739e+00 -2.218127233e+00 -1.621684016e+00 2.54 -3.014279806e+00 -2.352660711e+00 -1.820501043e+00 2.56 -3.027723646e+00 -2.471258095e+00 -2.000290150e+00 2.58 -3.033955619e+00 -2.575304285e+00 -2.162430659e+00 2.60 -3.033858989e+00 -2.666176674e+00 -2.308165216e+00 2.62 -3.027643129e+00 -2.745156023e+00 -2.438609134e+00 2.64 -3.015533070e+00 -2.813325437e+00 -2.554765189e+00 2.66 -2.997836415e+00 -2.871685338e+00 -2.657540655e+00 2.68 -2.974934375e+00 -2.921132470e+00 -2.747816576e+00 2.70 -2.947266583e+00 -2.962447560e+00 -2.826367653e+00 2.72 -2.915311609e+00 -2.996296677e+00 -2.893833884e+00 2.74 -2.879584448e+00 -3.023244401e+00 -2.950836603e+00 2.76 -2.840609634e+00 -3.043770405e+00 -2.997988108e+00 2.78 -2.798880314e+00 -3.058288728e+00 -3.035901703e+00 2.80 -2.754847944e+00 -3.067258927e+00 -3.065201944e+00 2.82 -2.708917593e+00 -3.071146484e+00 -3.086533692e+00 2.84 -2.661446779e+00 -3.070193642e+00 -3.100566147e+00 2.86 -2.612746959e+00 -3.064437176e+00 -3.107986984e+00 2.88 -2.563086852e+00 -3.053966066e+00 -3.109523246e+00 2.90 -2.512696673e+00 -3.038912305e+00 -3.106177271e+00 2.92 -2.461772469e+00 -3.019444116e+00 -3.098437025e+00 2.94 -2.410480114e+00 -2.995762116e+00 -3.086632213e+00 2.96 -2.358958938e+00 -2.968100275e+00 -3.071095558e+00 2.98 -2.307325298e+00 -2.936733064e+00 -3.052138671e+00 3.00 -2.255676222e+00 -2.901979553e+00 -3.030038257e+00 3.02 -2.204093142e+00 -2.864189836e+00 -3.005032449e+00 3.04 -2.152645522e+00 -2.823736006e+00 -2.977324892e+00 3.06 -2.101394166e+00 -2.781004619e+00 -2.947102949e+00 3.08 -2.050394051e+00 -2.736384608e+00 -2.914550078e+00 3.10 -1.999696620e+00 -2.690252169e+00 -2.879835134e+00 3.12 -1.949351527e+00 -2.642955227e+00 -2.843117621e+00 3.14 -1.899407846e+00 -2.594800547e+00 -2.804552168e+00 3.16 -1.849914746e+00 -2.546045834e+00 -2.764290808e+00 3.18 -1.800921654e+00 -2.496897835e+00 -2.722483667e+00 3.20 -1.752477938e+00 -2.447515836e+00 -2.679278646e+00 3.22 -1.704632183e+00 -2.398018948e+00 -2.634820579e+00 3.24 -1.657431180e+00 -2.348495173e+00 -2.589250207e+00 3.26 -1.610918790e+00 -2.299010542e+00 -2.542703233e+00 3.28 -1.565134836e+00 -2.249617167e+00 -2.495309604e+00 3.30 -1.520114183e+00 -2.200359651e+00 -2.447193139e+00 3.32 -1.475886109e+00 -2.151279738e+00 -2.398471556e+00 3.34 -1.432474039e+00 -2.102419374e+00 -2.349256953e+00 3.36 -1.389895659e+00 -2.053822429e+00 -2.299656746e+00 3.38 -1.348163360e+00 -2.005535383e+00 -2.249775049e+00 3.40 -1.307284953e+00 -1.957607228e+00 -2.199714386e+00 3.42 -1.267264540e+00 -1.910088824e+00 -2.149577604e+00 3.44 -1.228103444e+00 -1.863031905e+00 -2.099469693e+00 3.46 -1.189801056e+00 -1.816487909e+00 -2.049499192e+00 3.48 -1.152355545e+00 -1.770506763e+00 -1.999778769e+00 3.50 -1.115764338e+00 -1.725135734e+00 -1.950424610e+00 3.52 -1.080024361e+00 -1.680418417e+00 -1.901554420e+00 3.54 -1.045132023e+00 -1.636393907e+00 -1.853283993e+00 3.56 -1.011083019e+00 -1.593096169e+00 -1.805722780e+00 3.58 -9.778719809e-01 -1.550553597e+00 -1.758969011e+00 3.60 -9.454920531e-01 -1.508788771e+00 -1.713105191e+00 3.62 -9.139344617e-01 -1.467818368e+00 -1.668194692e+00 3.64 -8.831881260e-01 -1.427653220e+00 -1.624279972e+00 3.66 -8.532393564e-01 -1.388298518e+00 -1.581382578e+00 3.68 -8.240716625e-01 -1.349754123e+00 -1.539504779e+00 3.70 -7.956656852e-01 -1.312014999e+00 -1.498632398e+00 3.72 -7.679992571e-01 -1.275071756e+00 -1.458738353e+00 3.74 -7.410475871e-01 -1.238911283e+00 -1.419786411e+00 3.76 -7.147835680e-01 -1.203517462e+00 -1.381734783e+00 3.78 -6.891781999e-01 -1.168871935e+00 -1.344539328e+00 3.80 -6.642011294e-01 -1.134954888e+00 -1.308156233e+00 3.82 -6.398213018e-01 -1.101745812e+00 -1.272544139e+00 3.84 -6.160077272e-01 -1.069224194e+00 -1.237665719e+00 3.86 -5.927303593e-01 -1.037370086e+00 -1.203488743e+00 3.88 -5.699610784e-01 -1.006164539e+00 -1.169986677e+00 3.90 -5.476747623e-01 -9.755898581e-01 -1.137138856e+00 3.92 -5.258504049e-01 -9.456296854e-01 -1.104930303e+00 3.94 -5.044722263e-01 -9.162689398e-01 -1.073351252e+00 3.96 -4.835306639e-01 -8.874936194e-01 -1.042396429e+00 3.98 -4.630231395e-01 -8.592905480e-01 -1.012064202e+00 4.00 -4.429544390e-01 -8.316470958e-01 -9.823556591e-01 4.02 -4.233365605e-01 -8.045509431e-01 -9.532736723e-01 4.04 -4.041879106e-01 -7.779899340e-01 -9.248220304e-01 4.06 -3.855317985e-01 -7.519520665e-01 -8.970046650e-01 4.08 -3.673942772e-01 -7.264256470e-01 -8.698250040e-01 4.10 -3.498015043e-01 -7.013996234e-01 -8.432854632e-01 4.12 -3.327769041e-01 -6.768641154e-01 -8.173870740e-01 4.14 -3.163384824e-01 -6.528110627e-01 -7.921292362e-01 4.16 -3.004966527e-01 -6.292350263e-01 -7.675095796e-01 4.18 -2.852528661e-01 -6.061340121e-01 -7.435239137e-01 4.20 -2.705992135e-01 -5.835102507e-01 -7.201662455e-01 4.22 -2.565190348e-01 -5.613708151e-01 -6.974288456e-01 4.24 -2.429883870e-01 -5.397279565e-01 -6.753023458e-01 4.26 -2.299781947e-01 -5.185990388e-01 -6.537758550e-01 4.28 -2.174567784e-01 -4.980059831e-01 -6.328370806e-01 4.30 -2.053924914e-01 -4.779741819e-01 -6.124724490e-01 4.32 -1.937562138e-01 -4.585309122e-01 -5.926672176e-01 4.34 -1.825234902e-01 -4.397033561e-01 -5.734055763e-01 4.36 -1.716761518e-01 -4.215164124e-01 -5.546707350e-01 4.38 -1.612033139e-01 -4.039905283e-01 -5.364449975e-01 4.40 -1.511016692e-01 -3.871397919e-01 -5.187098220e-01 4.42 -1.413750817e-01 -3.709704959e-01 -5.014458697e-01 4.44 -1.320335050e-01 -3.554803073e-01 -4.846330433e-01 4.46 -1.230913339e-01 -3.406580942e-01 -4.682505192e-01 4.48 -1.145653489e-01 -3.264843646e-01 -4.522767763e-01 4.50 -1.064724633e-01 -3.129322025e-01 -4.366896254e-01 4.52 -9.882750869e-02 -2.999685466e-01 -4.214662418e-01 4.54 -9.164128756e-02 -2.875556423e-01 -4.065832316e-01 4.56 -8.491907693e-02 -2.756525201e-01 -3.920166720e-01 4.58 -7.865971031e-02 -2.642163855e-01 -3.777422263e-01 4.60 -7.285527098e-02 -2.532038498e-01 -3.637352711e-01 4.62 -6.749135904e-02 -2.425719663e-01 -3.499710757e-01 4.64 -6.254782769e-02 -2.322790756e-01 -3.364250383e-01 4.66 -5.799985234e-02 -2.222854809e-01 -3.230729905e-01 4.68 -5.381918089e-02 -2.125539899e-01 -3.098915810e-01 4.70 -4.997540597e-02 -2.030503645e-01 -2.968587453e-01 4.72 -4.643700755e-02 -1.937437162e-01 -2.839542684e-01 4.74 -4.317302500e-02 -1.846068806e-01 -2.711604377e-01 4.76 -4.015361277e-02 -1.756167902e-01 -2.584627802e-01 4.78 -3.735066606e-02 -1.667548576e-01 -2.458508631e-01 4.80 -3.473838829e-02 -1.580073597e-01 -2.333191267e-01 4.82 -3.229367556e-02 -1.493658171e-01 -2.208677030e-01 4.84 -2.999634472e-02 -1.408273029e-01 -2.085031568e-01 4.86 -2.782922996e-02 -1.323946795e-01 -1.962390757e-01 4.88 -2.577816972e-02 -1.240766770e-01 -1.840964213e-01 4.90 -2.383190018e-02 -1.158877702e-01 -1.721035602e-01 4.92 -2.198186795e-02 -1.078478051e-01 -1.602958956e-01 4.94 -2.022177553e-02 -9.998133831e-02 -1.487150514e-01 4.96 -1.854751240e-02 -9.231668252e-02 -1.374075913e-01 4.98 -1.695700649e-02 -8.488467827e-02 -1.264233077e-01 5.00 -1.544952399e-02 -7.771724970e-02 -1.158131648e-01 5.02 -1.402524958e-02 -7.084583326e-02 -1.056270299e-01 5.04 -1.268487181e-02 -6.429979246e-02 -9.591136456e-02 5.06 -1.142919658e-02 -5.810494179e-02 -8.670706097e-02 5.08 -1.025881034e-02 -5.228229710e-02 -7.804760261e-02 5.10 -9.173810893e-03 -4.684714617e-02 -6.995769265e-02 5.12 -8.173616824e-03 -4.180849318e-02 -6.245244207e-02 5.14 -7.256859283e-03 -3.716890720e-02 -5.553714687e-02 5.16 -6.421352050e-03 -3.292474106e-02 -4.920762387e-02 5.18 -5.664129435e-03 -2.906666540e-02 -4.345101498e-02 5.20 -4.981537164e-03 -2.558018735e-02 -3.824695020e-02 5.22 -4.369359337e-03 -2.244639051e-02 -3.356893915e-02 5.24 -3.822964736e-03 -1.964458363e-02 -2.938585253e-02 5.26 -3.337457659e-03 -1.715190662e-02 -2.566315695e-02 5.28 -2.907821489e-03 -1.494414637e-02 -2.236393312e-02 5.30 -2.529046694e-03 -1.299659584e-02 -1.945205807e-02 5.32 -2.196238277e-03 -1.128476122e-02 -1.689162350e-02 5.34 -1.904700650e-03 -9.784914318e-03 -1.464762045e-02 5.36 -1.650000127e-03 -8.474498600e-03 -1.268662196e-02 5.38 -1.428006826e-03 -7.332405143e-03 -1.097725023e-02 5.40 -1.234918680e-03 -6.339138249e-03 -9.490463069e-03 5.42 -1.067270676e-03 -5.476891699e-03 -8.199694727e-03 5.44 -9.219325091e-04 -4.729555706e-03 -7.080884586e-03 5.46 -7.960975719e-04 -4.082672619e-03 -6.112423124e-03 5.48 -6.872658904e-04 -3.523356811e-03 -5.275040118e-03 5.50 -5.932231595e-04 -3.040191414e-03 -4.551655360e-03 5.52 -5.120176199e-04 -2.623111917e-03 -3.927207810e-03 5.54 -4.419361105e-04 -2.263284224e-03 -3.388474117e-03 5.56 -3.814802867e-04 -1.952982774e-03 -2.923892075e-03 5.58 -3.293436975e-04 -1.685472606e-03 -2.523377807e-03 5.60 -2.843901810e-04 -1.454897962e-03 -2.178164407e-03 5.62 -2.456338523e-04 -1.256178949e-03 -1.880646261e-03 5.64 -2.122208202e-04 -1.084917073e-03 -1.624237783e-03 5.66 -1.834126676e-04 -9.373098349e-04 -1.403245658e-03 5.68 -1.585716600e-04 -8.100742663e-04 -1.212754405e-03 5.70 -1.371476001e-04 -7.003789684e-04 -1.048524657e-03 5.72 -1.186662169e-04 -6.057840988e-04 -9.069033177e-04 5.74 -1.027189640e-04 -5.241886496e-04 -7.847446278e-04 5.76 -8.895409388e-05 -4.537843336e-04 -6.793411216e-04 5.78 -7.706887634e-05 -3.930153973e-04 -5.883634550e-04 5.80 -6.680283636e-05 -3.405437050e-04 -5.098081241e-04 5.82 -5.793189120e-05 -2.952184806e-04 -4.419521583e-04 5.84 -5.026327863e-05 -2.560501392e-04 -3.833139368e-04 5.86 -4.363117700e-05 -2.221876971e-04 -3.326193638e-04 5.88 -3.789292814e-05 -1.928992985e-04 -2.887727097e-04 5.90 -3.292578412e-05 -1.675554483e-04 -2.508315051e-04 5.92 -2.862410778e-05 -1.456145886e-04 -2.179849443e-04 5.94 -2.489696552e-05 -1.266107019e-04 -1.895353230e-04 5.96 -2.166605871e-05 -1.101426603e-04 -1.648820915e-04 5.98 -1.886394680e-05 -9.586508102e-05 -1.435081622e-04 6.00 -1.643252151e-05 -8.348047655e-05 -1.249681562e-04