# 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 = AgTi3 # 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 3.206879397e+02 nan nan 1.16 2.950548579e+02 nan nan 1.18 2.715263146e+02 nan nan 1.20 2.499146493e+02 nan nan 1.22 2.300504157e+02 nan nan 1.24 2.117810811e+02 nan nan 1.26 1.949690512e+02 nan nan 1.28 1.794893624e+02 2.778501134e+02 3.184790700e+02 1.30 1.652284393e+02 2.574130125e+02 2.956066977e+02 1.32 1.520835462e+02 2.385071876e+02 2.744185054e+02 1.34 1.399620961e+02 2.210075899e+02 2.547791992e+02 1.36 1.287807652e+02 2.047995021e+02 2.365652010e+02 1.38 1.184642226e+02 1.897791403e+02 2.196640628e+02 1.40 1.089436868e+02 1.758527496e+02 2.039736726e+02 1.42 1.001559801e+02 1.629350850e+02 1.894012339e+02 1.44 9.204310101e+01 1.509484866e+02 1.758624092e+02 1.46 8.455168422e+01 1.398224779e+02 1.632804456e+02 1.48 7.763225974e+01 1.294930812e+02 1.515849364e+02 1.50 7.123892506e+01 1.199017600e+02 1.407105824e+02 1.52 6.532960969e+01 1.109944195e+02 1.305966164e+02 1.54 5.986628977e+01 1.027207607e+02 1.211869165e+02 1.56 5.481460343e+01 9.503405360e+01 1.124301193e+02 1.58 5.014309149e+01 8.789110536e+01 1.042791654e+02 1.60 4.582263559e+01 8.125213493e+01 9.669048545e+01 1.62 4.182634274e+01 7.508052691e+01 8.962342855e+01 1.64 3.812962376e+01 6.934253590e+01 8.304021428e+01 1.66 3.471016184e+01 6.400689922e+01 7.690612344e+01 1.68 3.154801598e+01 5.904440991e+01 7.118946065e+01 1.70 2.862510923e+01 5.442768737e+01 6.586121405e+01 1.72 2.592439755e+01 5.013127034e+01 6.089466886e+01 1.74 2.342913616e+01 4.613183922e+01 5.626510030e+01 1.76 2.112385893e+01 4.240824625e+01 5.194952582e+01 1.78 1.899441582e+01 3.894126838e+01 4.792652365e+01 1.80 1.702789645e+01 3.571327433e+01 4.417612258e+01 1.82 1.521245211e+01 3.270829608e+01 4.067970010e+01 1.84 1.353708595e+01 2.991179039e+01 3.741986359e+01 1.86 1.199147732e+01 2.731091618e+01 3.438039001e+01 1.88 1.056588565e+01 2.489290699e+01 3.154657806e+01 1.90 9.251153776e+00 2.264553876e+01 2.890491275e+01 1.92 8.038784949e+00 2.055725174e+01 2.644314178e+01 1.94 6.921022909e+00 1.861708155e+01 2.414899664e+01 1.96 5.890866914e+00 1.681468258e+01 2.201105998e+01 1.98 4.942007721e+00 1.514040512e+01 2.001879954e+01 2.00 4.068714422e+00 1.358534162e+01 1.816255212e+01 2.02 3.265710692e+00 1.214128704e+01 1.643344681e+01 2.04 2.528071409e+00 1.080063786e+01 1.482329071e+01 2.06 1.851154524e+00 9.556300522e+00 1.332446705e+01 2.08 1.230568851e+00 8.401656920e+00 1.192987358e+01 2.10 6.621630730e-01 7.330578008e+00 1.063288663e+01 2.12 1.420199385e-01 6.337437934e+00 9.427321671e+00 2.14 -3.335473730e-01 5.417091125e+00 8.307369443e+00 2.16 -7.679896132e-01 4.564811404e+00 7.267513253e+00 2.18 -1.164503502e+00 3.776214158e+00 6.302456241e+00 2.20 -1.526013430e+00 3.047182458e+00 5.407092767e+00 2.22 -1.855165750e+00 2.373806216e+00 4.576543072e+00 2.24 -2.154342479e+00 1.752340725e+00 3.806227474e+00 2.26 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-4.261728243e+00 -3.818497857e+00 -3.417650043e+00 2.64 -4.263940572e+00 -3.911909906e+00 -3.553695062e+00 2.66 -4.260207397e+00 -3.994048098e+00 -3.675863756e+00 2.68 -4.250618695e+00 -4.065702527e+00 -3.785163564e+00 2.70 -4.235314255e+00 -4.127667253e+00 -3.882485125e+00 2.72 -4.214477519e+00 -4.180653143e+00 -3.968619889e+00 2.74 -4.188331350e+00 -4.225191406e+00 -4.044282483e+00 2.76 -4.157133781e+00 -4.261727539e+00 -4.110132162e+00 2.78 -4.121172734e+00 -4.290699921e+00 -4.166834954e+00 2.80 -4.080759891e+00 -4.312540629e+00 -4.215101191e+00 2.82 -4.036224605e+00 -4.327674530e+00 -4.255384083e+00 2.84 -3.987994497e+00 -4.336519868e+00 -4.288138675e+00 2.86 -3.936389762e+00 -4.339473101e+00 -4.313846016e+00 2.88 -3.881654900e+00 -4.336779307e+00 -4.333007624e+00 2.90 -3.824050694e+00 -4.328586225e+00 -4.346135485e+00 2.92 -3.763844726e+00 -4.315029104e+00 -4.353737704e+00 2.94 -3.701301439e+00 -4.296295548e+00 -4.356301137e+00 2.96 -3.636673447e+00 -4.272624274e+00 -4.354175230e+00 2.98 -3.570197420e+00 -4.244300793e+00 -4.347473294e+00 3.00 -3.502097929e+00 -4.211654147e+00 -4.336298776e+00 3.02 -3.432598654e+00 -4.175051780e+00 -4.320770315e+00 3.04 -3.361926265e+00 -4.134889402e+00 -4.301016879e+00 3.06 -3.290320341e+00 -4.091575066e+00 -4.277176298e+00 3.08 -3.218040566e+00 -4.045552626e+00 -4.249395083e+00 3.10 -3.145366556e+00 -3.997242106e+00 -4.217828269e+00 3.12 -3.072589252e+00 -3.946875599e+00 -4.182638753e+00 3.14 -2.999995670e+00 -3.894651515e+00 -4.143996120e+00 3.16 -2.927851290e+00 -3.840737687e+00 -4.102075465e+00 3.18 -2.856385120e+00 -3.785275165e+00 -4.057122967e+00 3.20 -2.785781066e+00 -3.728384590e+00 -4.009325676e+00 3.22 -2.716176506e+00 -3.670173238e+00 -3.958796381e+00 3.24 -2.647666448e+00 -3.610740980e+00 -3.905670600e+00 3.26 -2.580310568e+00 -3.550187046e+00 -3.850109140e+00 3.28 -2.514140758e+00 -3.488613894e+00 -3.792301483e+00 3.30 -2.449167920e+00 -3.426123135e+00 -3.732468797e+00 3.32 -2.385387677e+00 -3.362815545e+00 -3.670864589e+00 3.34 -2.322785083e+00 -3.298791219e+00 -3.607771184e+00 3.36 -2.261338904e+00 -3.234149683e+00 -3.543493833e+00 3.38 -2.201024540e+00 -3.168990272e+00 -3.478348161e+00 3.40 -2.141816992e+00 -3.103412976e+00 -3.412637945e+00 3.42 -2.083692716e+00 -3.037520083e+00 -3.346638876e+00 3.44 -2.026631202e+00 -2.971418058e+00 -3.280587017e+00 3.46 -1.970615429e+00 -2.905220211e+00 -3.214673510e+00 3.48 -1.915632488e+00 -2.839049083e+00 -3.149045645e+00 3.50 -1.861673477e+00 -2.773038104e+00 -3.083812597e+00 3.52 -1.808733591e+00 -2.707331598e+00 -3.019054380e+00 3.54 -1.756811266e+00 -2.642082409e+00 -2.954829387e+00 3.56 -1.705907999e+00 -2.577446817e+00 -2.891182306e+00 3.58 -1.656027665e+00 -2.513577142e+00 -2.828149150e+00 3.60 -1.607175860e+00 -2.450613206e+00 -2.765760478e+00 3.62 -1.559359198e+00 -2.388674313e+00 -2.704043045e+00 3.64 -1.512584609e+00 -2.327853401e+00 -2.643020418e+00 3.66 -1.466858641e+00 -2.268214402e+00 -2.582713062e+00 3.68 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-1.888436994e-01 -4.414627625e-01 -5.508195579e-01 4.76 -1.793217811e-01 -4.261724855e-01 -5.330788150e-01 4.78 -1.702402474e-01 -4.112208315e-01 -5.157684185e-01 4.80 -1.616039909e-01 -3.965911592e-01 -4.988768816e-01 4.82 -1.534135419e-01 -3.822696044e-01 -4.823941115e-01 4.84 -1.456642060e-01 -3.682447486e-01 -4.663116283e-01 4.86 -1.383457097e-01 -3.545086323e-01 -4.506227503e-01 4.88 -1.314423738e-01 -3.410570286e-01 -4.353227215e-01 4.90 -1.249337517e-01 -3.278897717e-01 -4.204087594e-01 4.92 -1.187956144e-01 -3.150109366e-01 -4.058800012e-01 4.94 -1.130011411e-01 -3.024288096e-01 -3.917373318e-01 4.96 -1.075221766e-01 -2.901555991e-01 -3.779830889e-01 4.98 -1.023304419e-01 -2.782068518e-01 -3.646206483e-01 5.00 -9.739861797e-02 -2.666005719e-01 -3.516539086e-01 5.02 -9.270125411e-02 -2.553560767e-01 -3.390867082e-01 5.04 -8.821547881e-02 -2.444926661e-01 -3.269222151e-01 5.06 -8.392150791e-02 -2.340282141e-01 -3.151623408e-01 5.08 -7.980295358e-02 -2.239778156e-01 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-1.059245413e-01 -1.563456659e-01 5.46 -2.896086392e-02 -1.016169649e-01 -1.502387571e-01 5.48 -2.749785230e-02 -9.741059560e-02 -1.442331243e-01 5.50 -2.610588765e-02 -9.329090561e-02 -1.383142892e-01 5.52 -2.477636795e-02 -8.924488312e-02 -1.324690454e-01 5.54 -2.350127369e-02 -8.526110916e-02 -1.266856210e-01 5.56 -2.227342280e-02 -8.132986285e-02 -1.209542075e-01 5.58 -2.108654492e-02 -7.744325265e-02 -1.152668444e-01 5.60 -1.993529048e-02 -7.359536899e-02 -1.096180242e-01 5.62 -1.881527302e-02 -6.978244599e-02 -1.040049424e-01 5.64 -1.772309498e-02 -6.600301656e-02 -9.842780243e-02 5.66 -1.665635680e-02 -6.225804030e-02 -9.289007215e-02 5.68 -1.561364679e-02 -5.855098050e-02 -8.739865602e-02 5.70 -1.459450846e-02 -5.488780500e-02 -8.196394637e-02 5.72 -1.359938118e-02 -5.127688742e-02 -7.659971883e-02 5.74 -1.262951110e-02 -4.772879011e-02 -7.132284479e-02 5.76 -1.168683062e-02 -4.425591936e-02 -6.615280709e-02 5.78 -1.077380804e-02 -4.087192104e-02 -6.111102368e-02 5.80 -9.893272063e-03 -3.759128448e-02 -5.622000254e-02 5.82 -9.048219479e-03 -3.442881162e-02 -5.150237873e-02 5.84 -8.241617415e-03 -3.139874482e-02 -4.697989836e-02 5.86 -7.476213147e-03 -2.851409498e-02 -4.267242498e-02 5.88 -6.754364697e-03 -2.578604000e-02 -3.859704743e-02 5.90 -6.077903744e-03 -2.322343939e-02 -3.476735688e-02 5.92 -5.448039182e-03 -2.083238680e-02 -3.119279181e-02 5.94 -4.865305448e-03 -1.861599540e-02 -2.787828886e-02 5.96 -4.329555235e-03 -1.657501762e-02 -2.482522081e-02 5.98 -3.839992123e-03 -1.470750077e-02 -2.203088935e-02 6.00 -3.395235596e-03 -1.300903068e-02 -1.948870622e-02