# 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 = Pb3Pd # 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 4.843813633e+02 nan nan 1.16 4.500788104e+02 nan nan 1.18 4.183715001e+02 nan nan 1.20 3.890363058e+02 nan nan 1.22 3.618713060e+02 nan nan 1.24 3.366944139e+02 nan nan 1.26 3.133412791e+02 nan nan 1.28 2.916627292e+02 4.278289813e+02 4.825342270e+02 1.30 2.715230726e+02 4.001461487e+02 4.519067195e+02 1.32 2.527993095e+02 3.743567380e+02 4.233489551e+02 1.34 2.353802814e+02 3.503118606e+02 3.967020476e+02 1.36 2.191652108e+02 3.278754744e+02 3.718221709e+02 1.38 2.040623638e+02 3.069249873e+02 3.485781500e+02 1.40 1.899881885e+02 2.873507525e+02 3.268499117e+02 1.42 1.768666411e+02 2.690539483e+02 3.065275187e+02 1.44 1.646281977e+02 2.519439795e+02 2.875101425e+02 1.46 1.532087998e+02 2.359368089e+02 2.697048068e+02 1.48 1.425489524e+02 2.209543796e+02 2.530254037e+02 1.50 1.325931953e+02 2.069243423e+02 2.373920718e+02 1.52 1.232900556e+02 1.937795258e+02 2.227308633e+02 1.54 1.145921431e+02 1.814574278e+02 2.089736034e+02 1.56 1.064561541e+02 1.699000763e+02 1.960577233e+02 1.58 9.884391034e+01 1.590541476e+02 1.839260517e+02 1.60 9.174957093e+01 1.488709563e+02 1.725263624e+02 1.62 8.514919220e+01 1.393060928e+02 1.618106052e+02 1.64 7.900676922e+01 1.303187920e+02 1.517341721e+02 1.66 7.328916642e+01 1.218713440e+02 1.422554656e+02 1.68 6.796594633e+01 1.139287251e+02 1.333357574e+02 1.70 6.300905830e+01 1.064583365e+02 1.249391372e+02 1.72 5.839253327e+01 9.943012224e+01 1.170322698e+02 1.74 5.409229731e+01 9.283797465e+01 1.095840809e+02 1.76 5.008613221e+01 8.666952764e+01 1.025655051e+02 1.78 4.635363140e+01 8.089639289e+01 9.595643255e+01 1.80 4.287603545e+01 7.549226905e+01 8.975788753e+01 1.82 3.963598314e+01 7.043273984e+01 8.394613091e+01 1.84 3.661727549e+01 6.569512542e+01 7.849623249e+01 1.86 3.380473547e+01 6.125833972e+01 7.338496500e+01 1.88 3.118416001e+01 5.710280165e+01 6.859060424e+01 1.90 2.874231557e+01 5.321031139e+01 6.409282676e+01 1.92 2.646692400e+01 4.956390531e+01 5.987268840e+01 1.94 2.434662090e+01 4.614771586e+01 5.591255128e+01 1.96 2.237089708e+01 4.294689500e+01 5.219599595e+01 1.98 2.053002579e+01 3.994757011e+01 4.870769822e+01 2.00 1.881498695e+01 3.713681457e+01 4.543332195e+01 2.02 1.721740527e+01 3.450260940e+01 4.235945683e+01 2.04 1.572949195e+01 3.203377848e+01 3.947357661e+01 2.06 1.434400953e+01 2.971990941e+01 3.676400817e+01 2.08 1.305423597e+01 2.755128212e+01 3.421988139e+01 2.10 1.185392672e+01 2.551881554e+01 3.183109127e+01 2.12 1.073727208e+01 2.361403680e+01 2.958824999e+01 2.14 9.698854490e+00 2.182906204e+01 2.748263233e+01 2.16 8.733614735e+00 2.015656668e+01 2.550610665e+01 2.18 7.836818498e+00 1.858974445e+01 2.365105559e+01 2.20 7.004036554e+00 1.712225007e+01 2.191031062e+01 2.22 6.231119570e+00 1.574814887e+01 2.027708969e+01 2.24 5.514177257e+00 1.446187144e+01 1.874497604e+01 2.26 4.849558549e+00 1.325817909e+01 1.730790278e+01 2.28 4.233835928e+00 1.213213876e+01 1.596014875e+01 2.30 3.663792789e+00 1.107909720e+01 1.469632405e+01 2.32 3.136413499e+00 1.009466330e+01 1.351135836e+01 2.34 2.648872767e+00 9.174685483e+00 1.240048188e+01 2.36 2.198520166e+00 8.315236172e+00 1.135920920e+01 2.38 1.782869547e+00 7.512596668e+00 1.038332961e+01 2.40 1.399585138e+00 6.763246191e+00 9.468899903e+00 2.42 1.046474871e+00 6.063855790e+00 8.612241036e+00 2.44 7.214871049e-01 5.411284108e+00 7.809930022e+00 2.46 4.227089980e-01 4.802576920e+00 7.058785830e+00 2.48 1.483637633e-01 4.234965439e+00 6.355848236e+00 2.50 -1.031949402e-01 3.705862924e+00 5.698353430e+00 2.52 -3.334933069e-01 3.212858783e+00 5.083705551e+00 2.54 -5.442057629e-01 2.753710591e+00 4.509454650e+00 2.56 -7.367099312e-01 2.326334772e+00 3.973278429e+00 2.58 -9.120765283e-01 1.928796245e+00 3.472970750e+00 2.60 -1.071340277e+00 1.559296940e+00 3.006435334e+00 2.62 -1.215503825e+00 1.216163587e+00 2.571682805e+00 2.64 -1.345543957e+00 8.978321450e-01 2.166826374e+00 2.66 -1.462411407e+00 6.028378948e-01 1.790080432e+00 2.68 -1.567029837e+00 3.298012481e-01 1.439753007e+00 2.70 -1.660301785e+00 7.741879218e-02 1.114238905e+00 2.72 -1.743127691e+00 -1.555437791e-01 8.120122163e-01 2.74 -1.816361324e+00 -3.702565420e-01 5.316203883e-01 2.76 -1.880795004e+00 -5.679011878e-01 2.716813527e-01 2.78 -1.937156362e+00 -7.497736682e-01 3.088421210e-02 2.80 -1.986108422e+00 -9.167685614e-01 -1.920076682e-01 2.82 -2.028247713e+00 -1.069710605e+00 -3.981522133e-01 2.84 -2.064108943e+00 -1.209396836e+00 -5.887679690e-01 2.86 -2.094169260e+00 -1.336597419e+00 -7.649960336e-01 2.88 -2.118858411e+00 -1.452057177e+00 -9.276330511e-01 2.90 -2.138562344e+00 -1.556496578e+00 -1.077422561e+00 2.92 -2.153633436e+00 -1.650611392e+00 -1.215062123e+00 2.94 -2.164400608e+00 -1.735077008e+00 -1.341208073e+00 2.96 -2.171168424e+00 -1.810568340e+00 -1.456478785e+00 2.98 -2.174225841e+00 -1.877728724e+00 -1.561467261e+00 3.00 -2.173871308e+00 -1.937155703e+00 -1.656733273e+00 3.02 -2.170456254e+00 -1.989401352e+00 -1.742816953e+00 3.04 -2.164144112e+00 -2.034973738e+00 -1.820256637e+00 3.06 -2.155084326e+00 -2.074346209e+00 -1.889582670e+00 3.08 -2.143436021e+00 -2.107955445e+00 -1.951300526e+00 3.10 -2.129363907e+00 -2.136212644e+00 -2.005890816e+00 3.12 -2.113035027e+00 -2.159506105e+00 -2.053809107e+00 3.14 -2.094616648e+00 -2.178210653e+00 -2.095485627e+00 3.16 -2.074274885e+00 -2.192681872e+00 -2.131325271e+00 3.18 -2.052160590e+00 -2.203262766e+00 -2.161708135e+00 3.20 -2.028404193e+00 -2.210280977e+00 -2.186990320e+00 3.22 -2.003143271e+00 -2.214046054e+00 -2.207506921e+00 3.24 -1.976523710e+00 -2.214846020e+00 -2.223571875e+00 3.26 -1.948697594e+00 -2.212950975e+00 -2.235481699e+00 3.28 -1.919819801e+00 -2.208675403e+00 -2.243517383e+00 3.30 -1.890043543e+00 -2.202203178e+00 -2.247946632e+00 3.32 -1.859515492e+00 -2.193641215e+00 -2.249025912e+00 3.34 -1.828370561e+00 -2.183093698e+00 -2.247002171e+00 3.36 -1.796731757e+00 -2.170662905e+00 -2.242131243e+00 3.38 -1.764703405e+00 -2.156449962e+00 -2.234722993e+00 3.40 -1.732374534e+00 -2.140555131e+00 -2.224941650e+00 3.42 -1.699818144e+00 -2.123079613e+00 -2.212936617e+00 3.44 -1.667097228e+00 -2.104122624e+00 -2.198865611e+00 3.46 -1.634260949e+00 -2.083773585e+00 -2.182892849e+00 3.48 -1.601351729e+00 -2.062105488e+00 -2.165187340e+00 3.50 -1.568405556e+00 -2.039190885e+00 -2.145918966e+00 3.52 -1.535458165e+00 -2.015104339e+00 -2.125264360e+00 3.54 -1.502540444e+00 -1.989921194e+00 -2.103390013e+00 3.56 -1.469684189e+00 -1.963716824e+00 -2.080447161e+00 3.58 -1.436921711e+00 -1.936566288e+00 -2.056561985e+00 3.60 -1.404286178e+00 -1.908544374e+00 -2.031851145e+00 3.62 -1.371811571e+00 -1.879725956e+00 -2.006419754e+00 3.64 -1.339532333e+00 -1.850186566e+00 -1.980359493e+00 3.66 -1.307482818e+00 -1.820003011e+00 -1.953748201e+00 3.68 -1.275696625e+00 -1.789253852e+00 -1.926650775e+00 3.70 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-2.115266797e-01 -4.352614837e-01 -5.296998970e-01 4.78 -2.035739052e-01 -4.204559900e-01 -5.119140730e-01 4.80 -1.958026359e-01 -4.060482722e-01 -4.946171881e-01 4.82 -1.882057787e-01 -3.920553558e-01 -4.778328158e-01 4.84 -1.807787542e-01 -3.784844974e-01 -4.615810826e-01 4.86 -1.735195023e-01 -3.653423059e-01 -4.458775937e-01 4.88 -1.664284214e-01 -3.526316877e-01 -4.307326647e-01 4.90 -1.595082177e-01 -3.403516201e-01 -4.161509121e-01 4.92 -1.527636468e-01 -3.284971821e-01 -4.021312118e-01 4.94 -1.462011425e-01 -3.170598212e-01 -3.886669897e-01 4.96 -1.398283350e-01 -3.060278123e-01 -3.757467851e-01 4.98 -1.336534785e-01 -2.953868526e-01 -3.633550016e-01 5.00 -1.276848227e-01 -2.851207358e-01 -3.514727606e-01 5.02 -1.219299714e-01 -2.752120490e-01 -3.400787794e-01 5.04 -1.163952799e-01 -2.656428492e-01 -3.291502074e-01 5.06 -1.110853402e-01 -2.563952843e-01 -3.186633770e-01 5.08 -1.060025965e-01 -2.474521370e-01 -3.085944401e-01 5.10 -1.011471161e-01 -2.387972777e-01 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-1.230173676e-01 -1.717207948e-01 5.48 -4.184826289e-02 -1.185619514e-01 -1.664563237e-01 5.50 -3.990196797e-02 -1.142805604e-01 -1.613208639e-01 5.52 -3.804157512e-02 -1.101640043e-01 -1.563073161e-01 5.54 -3.626512262e-02 -1.062026240e-01 -1.514075727e-01 5.56 -3.457048082e-02 -1.023864732e-01 -1.466173797e-01 5.58 -3.295524912e-02 -9.870548931e-02 -1.419287260e-01 5.60 -3.141664166e-02 -9.514964667e-02 -1.373351003e-01 5.62 -2.995147692e-02 -9.170908803e-02 -1.328301192e-01 5.64 -2.855631648e-02 -8.837423495e-02 -1.284075371e-01 5.66 -2.722752348e-02 -8.513587767e-02 -1.240612630e-01 5.68 -2.596120566e-02 -8.198524652e-02 -1.197853886e-01 5.70 -2.475329149e-02 -7.891407029e-02 -1.155742248e-01 5.72 -2.359961316e-02 -7.591462448e-02 -1.114223502e-01 5.74 -2.249599052e-02 -7.297977307e-02 -1.073246696e-01 5.76 -2.143831188e-02 -7.010300734e-02 -1.032764836e-01 5.78 -2.042260827e-02 -6.727848465e-02 -9.927356993e-02 5.80 -1.944511943e-02 -6.450106666e-02 -9.531227071e-02 5.82 -1.850235062e-02 -6.176636132e-02 -9.138959126e-02 5.84 -1.759111981e-02 -5.907076661e-02 -8.750330297e-02 5.86 -1.670859561e-02 -5.641151437e-02 -8.365204727e-02 5.88 -1.585232612e-02 -5.378671231e-02 -7.983543626e-02 5.90 -1.502025896e-02 -5.119538070e-02 -7.605414391e-02 5.92 -1.421075266e-02 -4.863747957e-02 -7.230998100e-02 5.94 -1.342257925e-02 -4.611391088e-02 -6.860594658e-02 5.96 -1.265491785e-02 -4.362627969e-02 -6.494624911e-02 5.98 -1.190733886e-02 -4.117731679e-02 -6.133628373e-02 6.00 -1.117977850e-02 -3.877073300e-02 -5.778256860e-02