# 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 = Co3Ti # 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 7.603699537e+02 nan nan 0.92 6.892915830e+02 nan nan 0.94 6.215486061e+02 nan nan 0.96 5.582077104e+02 nan nan 0.98 4.998205601e+02 7.533642867e+02 nan 1.00 4.465813358e+02 6.897489937e+02 nan 1.02 3.984426468e+02 6.301313660e+02 7.000884668e+02 1.04 3.552000890e+02 5.745142869e+02 6.449401773e+02 1.06 3.165529697e+02 5.230629895e+02 5.932130917e+02 1.08 2.820076622e+02 4.754023890e+02 5.444668104e+02 1.10 2.507812100e+02 4.303315795e+02 4.970731502e+02 1.12 2.226800194e+02 3.881509281e+02 4.516834343e+02 1.14 1.975150229e+02 3.490949864e+02 4.088614885e+02 1.16 1.750672486e+02 3.132389742e+02 3.689321769e+02 1.18 1.551048214e+02 2.805462041e+02 3.320451573e+02 1.20 1.373947291e+02 2.509039138e+02 2.982240234e+02 1.22 1.217107107e+02 2.241500992e+02 2.674039383e+02 1.24 1.078382953e+02 2.000933733e+02 2.394602116e+02 1.26 9.557778127e+01 1.785274848e+02 2.142298339e+02 1.28 8.474574366e+01 1.592417352e+02 1.915275063e+02 1.30 7.517550871e+01 1.420282789e+02 1.711574036e+02 1.32 6.671692862e+01 1.266870728e+02 1.529216550e+02 1.34 5.923569316e+01 1.130290627e+02 1.366262992e+02 1.36 5.261235896e+01 1.008780687e+02 1.220853255e+02 1.38 4.674121988e+01 9.007171716e+01 1.091232684e+02 1.40 4.152911049e+01 8.046169370e+01 9.757672522e+01 1.42 3.689420332e+01 7.191351979e+01 8.729508535e+01 1.44 3.276484155e+01 6.430600670e+01 7.814068511e+01 1.46 2.907843398e+01 5.753050589e+01 6.998855148e+01 1.48 2.578042705e+01 5.149003847e+01 6.272584906e+01 1.50 2.282336224e+01 4.609836634e+01 5.625118969e+01 1.52 2.016602079e+01 4.127905214e+01 5.047385614e+01 1.54 1.777265456e+01 3.696453526e+01 4.531297130e+01 1.56 1.561229885e+01 3.309524700e+01 4.069665481e+01 1.58 1.365816279e+01 2.961877843e+01 3.656119504e+01 1.60 1.188708986e+01 2.648910605e+01 3.285025142e+01 1.62 1.027908350e+01 2.366588144e+01 2.951410293e+01 1.64 8.816890498e+00 2.111378411e+01 2.650894818e+01 1.66 7.485635626e+00 1.880193555e+01 2.379625947e+01 1.68 6.272451646e+00 1.670337324e+01 2.134219413e+01 1.70 5.166039676e+00 1.479457968e+01 1.911706010e+01 1.72 4.156414197e+00 1.305506250e+01 1.709483407e+01 1.74 3.234748979e+00 1.146698226e+01 1.525273006e+01 1.76 2.393242199e+00 1.001482139e+01 1.357081353e+01 1.78 1.624997406e+00 8.685049852e+00 1.203165817e+01 1.80 9.239184709e-01 7.465760135e+00 1.062004188e+01 1.82 2.846142790e-01 6.346435972e+00 9.322677119e+00 1.84 -2.977340352e-01 5.317787888e+00 8.127973366e+00 1.86 -8.275153052e-01 4.371608519e+00 7.025827660e+00 1.88 -1.308742909e+00 3.500644751e+00 6.007440086e+00 1.90 -1.745090143e+00 2.698485233e+00 5.065151902e+00 1.92 -2.139922026e+00 1.959461131e+00 4.192303215e+00 1.94 -2.496323899e+00 1.278558703e+00 3.383108039e+00 1.96 -2.817127110e+00 6.513424049e-01 2.632544831e+00 1.98 -3.104932150e+00 7.388701190e-02 1.936260275e+00 2.00 -3.362129486e+00 -4.572821780e-01 1.290484880e+00 2.02 -3.590918319e+00 -9.452420868e-01 6.919588928e-01 2.04 -3.793324418e+00 -1.392725376e+00 1.378567953e-01 2.06 -3.971228557e+00 -1.802228908e+00 -3.743708639e-01 2.08 -4.126394413e+00 -2.176105587e+00 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-3.243713007e+00 3.16 -1.983357487e+00 -2.805958310e+00 -3.173330633e+00 3.18 -1.925222591e+00 -2.737729922e+00 -3.103497231e+00 3.20 -1.868293579e+00 -2.670387335e+00 -3.034288983e+00 3.22 -1.812567752e+00 -2.603967604e+00 -2.965776162e+00 3.24 -1.758040220e+00 -2.538503207e+00 -2.898023483e+00 3.26 -1.704704096e+00 -2.474022360e+00 -2.831090435e+00 3.28 -1.652550680e+00 -2.410549314e+00 -2.765031589e+00 3.30 -1.601569634e+00 -2.348104627e+00 -2.699896893e+00 3.32 -1.551749140e+00 -2.286705425e+00 -2.635731942e+00 3.34 -1.503076050e+00 -2.226365654e+00 -2.572578240e+00 3.36 -1.455536023e+00 -2.167096304e+00 -2.510473434e+00 3.38 -1.409113659e+00 -2.108905631e+00 -2.449451545e+00 3.40 -1.363792614e+00 -2.051799361e+00 -2.389543171e+00 3.42 -1.319555716e+00 -1.995780883e+00 -2.330775685e+00 3.44 -1.276385066e+00 -1.940851429e+00 -2.273173409e+00 3.46 -1.234262135e+00 -1.887010245e+00 -2.216757787e+00 3.48 -1.193167856e+00 -1.834254753e+00 -2.161628979e+00 3.50 -1.153082703e+00 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-5.807639102e-01 -1.025631417e+00 -1.362322817e+00 3.88 -5.559688657e-01 -9.923015002e-01 -1.331474926e+00 3.90 -5.317810904e-01 -9.597804226e-01 -1.301740496e+00 3.92 -5.081826263e-01 -9.280508385e-01 -1.273093382e+00 3.94 -4.851558772e-01 -8.970954044e-01 -1.245505525e+00 3.96 -4.626836215e-01 -8.668968091e-01 -1.218946980e+00 3.98 -4.407490252e-01 -8.374378014e-01 -1.193385955e+00 4.00 -4.193356533e-01 -8.087012161e-01 -1.168788869e+00 4.02 -3.971847708e-01 -7.806699979e-01 -1.145120422e+00 4.04 -3.712712801e-01 -7.533272230e-01 -1.122343684e+00 4.06 -6.051823750e-01 -7.266561201e-01 -1.100420197e+00 4.08 -7.689239120e-01 -7.006400887e-01 -1.079310092e+00 4.10 -7.533249035e-01 -6.752627166e-01 -1.058972225e+00 4.12 -7.373884501e-01 -6.505077958e-01 -1.039364333e+00 4.14 -7.217819474e-01 -6.263593371e-01 -1.020443202e+00 4.16 -7.065001463e-01 -6.028015842e-01 -1.002164865e+00 4.18 -6.915374190e-01 -5.798190258e-01 -9.844848264e-01 4.20 -6.768878664e-01 -5.573964073e-01 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