# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = Al3Ni # 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 2025-07-01 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 4.287438559e+02 nan nan 0.92 3.929955419e+02 nan nan 0.94 3.600244590e+02 nan nan 0.96 3.297398455e+02 nan nan 0.98 3.020002229e+02 4.159780462e+02 nan 1.00 2.766367691e+02 3.842355529e+02 nan 1.02 2.534692178e+02 3.547942054e+02 3.916307697e+02 1.04 2.323033992e+02 3.275354946e+02 3.626972902e+02 1.06 2.129137448e+02 3.022126199e+02 3.356143200e+02 1.08 1.951526630e+02 2.787444193e+02 3.103556198e+02 1.10 1.788861945e+02 2.570472155e+02 2.868845208e+02 1.12 1.639873225e+02 2.370209477e+02 2.651324855e+02 1.14 1.503375021e+02 2.185573609e+02 2.450112879e+02 1.16 1.378273120e+02 2.015457315e+02 2.264218366e+02 1.18 1.263565248e+02 1.858767589e+02 2.092604503e+02 1.20 1.158338078e+02 1.714451149e+02 1.934232228e+02 1.22 1.061762066e+02 1.581510129e+02 1.788089614e+02 1.24 9.730851424e+01 1.459010775e+02 1.653210727e+02 1.26 8.916259565e+01 1.346087198e+02 1.528686824e+02 1.28 8.167671507e+01 1.241941745e+02 1.413672028e+02 1.30 7.479489330e+01 1.145843121e+02 1.307385159e+02 1.32 6.846631204e+01 1.057123097e+02 1.209108916e+02 1.34 6.264477249e+01 9.751724035e+01 1.118187331e+02 1.36 5.728821098e+01 8.994362345e+01 1.034022176e+02 1.38 5.235826964e+01 8.294096430e+01 9.560687747e+01 1.40 4.781991883e+01 7.646330405e+01 8.838315943e+01 1.42 4.364112646e+01 7.046879152e+01 8.168598291e+01 1.44 3.979256886e+01 6.491928383e+01 7.547431366e+01 1.46 3.624737804e+01 5.977998055e+01 6.971076347e+01 1.48 3.298092021e+01 5.501909164e+01 6.436122019e+01 1.50 2.997060102e+01 5.060753875e+01 5.939451081e+01 1.52 2.719569346e+01 4.651868876e+01 5.478209904e+01 1.54 2.463718482e+01 4.272811651e+01 5.049781478e+01 1.56 2.227763965e+01 3.921339447e+01 4.651761460e+01 1.58 2.010107641e+01 3.595390679e+01 4.281937079e+01 1.60 1.809285537e+01 3.293068445e+01 3.938268540e+01 1.62 1.623957630e+01 3.012625945e+01 3.618872722e+01 1.64 1.452898446e+01 2.752453551e+01 3.322008829e+01 1.66 1.294988371e+01 2.511067287e+01 3.046065830e+01 1.68 1.149205603e+01 2.287098563e+01 2.789551490e+01 1.70 1.014618645e+01 2.079284968e+01 2.551082691e+01 1.72 8.903793074e+00 1.886461966e+01 2.329376851e+01 1.74 7.757161565e+00 1.707554280e+01 2.123244329e+01 1.76 6.699283804e+00 1.541565564e+01 1.931581600e+01 1.78 5.723799351e+00 1.387571593e+01 1.753365138e+01 1.80 4.824906750e+00 1.244715419e+01 1.587645872e+01 1.82 3.997244583e+00 1.112202927e+01 1.433544130e+01 1.84 3.235843545e+00 9.892987138e+00 1.290245007e+01 1.86 2.536096143e+00 8.753222535e+00 1.156994092e+01 1.88 1.893708622e+00 7.696443028e+00 1.033093503e+01 1.90 1.304664898e+00 6.716835348e+00 9.178981856e+00 1.92 7.652090165e-01 5.809033663e+00 8.108124590e+00 1.94 2.718296022e-01 4.968089608e+00 7.112867501e+00 1.96 -1.787547710e-01 4.189443940e+00 6.188145331e+00 1.98 -5.896093615e-01 3.468895904e+00 5.329294215e+00 2.00 -9.635962610e-01 2.802564102e+00 4.532016531e+00 2.02 -1.303386648e+00 2.186832347e+00 3.792310704e+00 2.04 -1.611472370e+00 1.618315226e+00 3.106426080e+00 2.06 -1.890176877e+00 1.093844514e+00 2.470848648e+00 2.08 -2.141665548e+00 6.104570888e-01 1.882288638e+00 2.10 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2.46 -3.755118857e+00 -3.555750029e+00 -3.471293875e+00 2.48 -3.745276135e+00 -3.612915268e+00 -3.560505037e+00 2.50 -3.730723291e+00 -3.660894655e+00 -3.638432380e+00 2.52 -3.711895956e+00 -3.700366134e+00 -3.705860899e+00 2.54 -3.689198203e+00 -3.731964373e+00 -3.763527881e+00 2.56 -3.663004657e+00 -3.756283368e+00 -3.812125623e+00 2.58 -3.633662468e+00 -3.773878894e+00 -3.852304011e+00 2.60 -3.601493167e+00 -3.785270822e+00 -3.884672952e+00 2.62 -3.566794389e+00 -3.790945291e+00 -3.909804675e+00 2.64 -3.529841498e+00 -3.791356762e+00 -3.928235903e+00 2.66 -3.490889099e+00 -3.786929945e+00 -3.940469910e+00 2.68 -3.450172460e+00 -3.778061619e+00 -3.946978460e+00 2.70 -3.407908832e+00 -3.765122341e+00 -3.948203638e+00 2.72 -3.364298694e+00 -3.748458059e+00 -3.944559584e+00 2.74 -3.319526908e+00 -3.728391624e+00 -3.936434128e+00 2.76 -3.273763806e+00 -3.705224219e+00 -3.924190331e+00 2.78 -3.227166199e+00 -3.679236700e+00 -3.908167948e+00 2.80 -3.179878323e+00 -3.650690858e+00 -3.888684797e+00 2.82 -3.132032726e+00 -3.619830609e+00 -3.866038063e+00 2.84 -3.083751087e+00 -3.586883107e+00 -3.840505524e+00 2.86 -3.035144993e+00 -3.552059796e+00 -3.812346705e+00 2.88 -2.986316652e+00 -3.515557401e+00 -3.781803970e+00 2.90 -2.937359569e+00 -3.477558851e+00 -3.749103553e+00 2.92 -2.888359169e+00 -3.438234155e+00 -3.714456526e+00 2.94 -2.839393381e+00 -3.397741222e+00 -3.678059721e+00 2.96 -2.790533185e+00 -3.356226630e+00 -3.640096586e+00 2.98 -2.741843117e+00 -3.313826354e+00 -3.600738003e+00 3.00 -2.693381745e+00 -3.270666444e+00 -3.560143055e+00 3.02 -2.645202107e+00 -3.226863663e+00 -3.518459751e+00 3.04 -2.597352126e+00 -3.182526091e+00 -3.475825704e+00 3.06 -2.549874989e+00 -3.137753686e+00 -3.432368776e+00 3.08 -2.502809503e+00 -3.092638806e+00 -3.388207679e+00 3.10 -2.456190431e+00 -3.047266725e+00 -3.343452553e+00 3.12 -2.410048798e+00 -3.001716080e+00 -3.298205493e+00 3.14 -2.364412175e+00 -2.956059318e+00 -3.252561059e+00 3.16 -2.319304952e+00 -2.910363105e+00 -3.206606753e+00 3.18 -2.274748584e+00 -2.864688708e+00 -3.160423462e+00 3.20 -2.230761818e+00 -2.819092360e+00 -3.114085884e+00 3.22 -2.187360914e+00 -2.773625597e+00 -3.067662920e+00 3.24 -2.144559840e+00 -2.728335572e+00 -3.021218051e+00 3.26 -2.102370455e+00 -2.683265359e+00 -2.974809684e+00 3.28 -2.060802686e+00 -2.638454228e+00 -2.928491486e+00 3.30 -2.019864684e+00 -2.593937904e+00 -2.882312690e+00 3.32 -1.979562973e+00 -2.549748817e+00 -2.836318391e+00 3.34 -1.939902585e+00 -2.505916327e+00 -2.790549813e+00 3.36 -1.900887187e+00 -2.462466940e+00 -2.745044573e+00 3.38 -1.862519202e+00 -2.419424508e+00 -2.699836918e+00 3.40 -1.824799915e+00 -2.376810419e+00 -2.654957955e+00 3.42 -1.787729573e+00 -2.334643770e+00 -2.610435859e+00 3.44 -1.751307481e+00 -2.292941535e+00 -2.566296080e+00 3.46 -1.715532085e+00 -2.251718714e+00 -2.522561523e+00 3.48 -1.680401055e+00 -2.210988481e+00 -2.479262814e+00 3.50 -1.645911356e+00 -2.170762319e+00 -2.436661566e+00 3.52 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