# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Ti-Mn # implementation = 2025--Sharifi-H--Ni-Ti-Mn--LAMMPS--ipr1 # composition = MnNi2Ti # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 9.394406074e+02 9.394406074e+02 1.00 8.757693008e+02 8.757693008e+02 1.02 8.101285069e+02 8.101285069e+02 1.04 7.447549893e+02 7.447549893e+02 1.06 6.811969966e+02 6.811969966e+02 1.08 6.204915913e+02 6.204915913e+02 1.10 5.632919681e+02 5.632919681e+02 1.12 5.099659920e+02 5.099659920e+02 1.14 4.606722832e+02 4.606722832e+02 1.16 4.154188101e+02 4.154188101e+02 1.18 3.741077183e+02 3.741077183e+02 1.20 3.365694669e+02 3.365694669e+02 1.22 3.025886184e+02 3.025886184e+02 1.24 2.719231098e+02 2.719231098e+02 1.26 2.443184868e+02 2.443184868e+02 1.28 2.195182275e+02 2.195182275e+02 1.30 1.972710569e+02 1.972710569e+02 1.32 1.773359603e+02 1.773359603e+02 1.34 1.594854431e+02 1.594854431e+02 1.36 1.435074754e+02 1.435074754e+02 1.38 1.292064537e+02 1.292064537e+02 1.40 1.164034479e+02 1.164034479e+02 1.42 1.049359353e+02 1.049359353e+02 1.44 9.465717729e+01 9.465717729e+01 1.46 8.543536300e+01 8.543536300e+01 1.48 7.715260794e+01 7.715260794e+01 1.50 6.970387659e+01 6.970387659e+01 1.52 6.299588185e+01 6.299588185e+01 1.54 5.694599445e+01 5.694599445e+01 1.56 5.148118976e+01 5.148118976e+01 1.58 4.653705026e+01 4.653705026e+01 1.60 4.205683200e+01 4.205683200e+01 1.62 3.799060316e+01 3.799060316e+01 1.64 3.429445613e+01 3.429445613e+01 1.66 3.092979238e+01 3.092979238e+01 1.68 2.786267939e+01 2.786267939e+01 1.70 2.506327484e+01 2.506327484e+01 1.72 2.250531433e+01 2.250531433e+01 1.74 2.016565788e+01 2.016565788e+01 1.76 1.802386775e+01 1.802386775e+01 1.78 1.606180206e+01 1.606180206e+01 1.80 1.426329538e+01 1.426329538e+01 1.82 1.261390761e+01 1.261390761e+01 1.84 1.110071391e+01 1.110071391e+01 1.86 9.712121499e+00 9.712121499e+00 1.88 8.437710392e+00 8.437710392e+00 1.90 7.268091750e+00 7.268091750e+00 1.92 6.194777646e+00 6.194777646e+00 1.94 5.210070261e+00 5.210070261e+00 1.96 4.306968611e+00 4.306968611e+00 1.98 3.479086854e+00 3.479086854e+00 2.00 2.720567065e+00 2.720567065e+00 2.02 2.026013285e+00 2.026013285e+00 2.04 1.390453320e+00 1.390453320e+00 2.06 8.093051460e-01 8.093051460e-01 2.08 2.783473487e-01 2.783473487e-01 2.10 -2.062998679e-01 -2.062998679e-01 2.12 -6.482093370e-01 -6.482093370e-01 2.14 -1.050677184e+00 -1.050677184e+00 2.16 -1.416744679e+00 -1.416744679e+00 2.18 -1.749212526e+00 -1.749212526e+00 2.20 -2.050653433e+00 -2.050653433e+00 2.22 -2.323443156e+00 -2.323443156e+00 2.24 -2.569777836e+00 -2.569777836e+00 2.26 -2.791687917e+00 -2.791687917e+00 2.28 -2.991050977e+00 -2.991050977e+00 2.30 -3.169603562e+00 -3.169603562e+00 2.32 -3.328952082e+00 -3.328952082e+00 2.34 -3.470582866e+00 -3.470582866e+00 2.36 -3.595871412e+00 -3.595871412e+00 2.38 -3.706090925e+00 -3.706090925e+00 2.40 -3.802420172e+00 -3.802420172e+00 2.42 -3.885949886e+00 -3.885949886e+00 2.44 -3.957628107e+00 -3.957628107e+00 2.46 -4.018238620e+00 -4.018238620e+00 2.48 -4.068515965e+00 -4.068515965e+00 2.50 -4.109157997e+00 -4.109157997e+00 2.52 -4.140826386e+00 -4.140826386e+00 2.54 -4.164148317e+00 -4.164148317e+00 2.56 -4.179718139e+00 -4.179718139e+00 2.58 -4.188098912e+00 -4.188098912e+00 2.60 -4.189823862e+00 -4.189823862e+00 2.62 -4.185397741e+00 -4.185397741e+00 2.64 -4.175298103e+00 -4.175298103e+00 2.66 -4.159976494e+00 -4.159976494e+00 2.68 -4.139859569e+00 -4.139859569e+00 2.70 -4.115350146e+00 -4.115350146e+00 2.72 -4.086828203e+00 -4.086828203e+00 2.74 -4.054651840e+00 -4.054651840e+00 2.76 -4.019158217e+00 -4.019158217e+00 2.78 -3.980664489e+00 -3.980664489e+00 2.80 -3.939468733e+00 -3.939468733e+00 2.82 -3.895850895e+00 -3.895850895e+00 2.84 -3.850073736e+00 -3.850073736e+00 2.86 -3.802383773e+00 -3.802383773e+00 2.88 -3.753012200e+00 -3.753012200e+00 2.90 -3.702175770e+00 -3.702175770e+00 2.92 -3.650077616e+00 -3.650077616e+00 2.94 -3.596908007e+00 -3.596908007e+00 2.96 -3.542845014e+00 -3.542845014e+00 2.98 -3.488055112e+00 -3.488055112e+00 3.00 -3.432693705e+00 -3.432693705e+00 3.02 -3.376905588e+00 -3.376905588e+00 3.04 -3.320825375e+00 -3.320825375e+00 3.06 -3.264577891e+00 -3.264577891e+00 3.08 -3.208278545e+00 -3.208278545e+00 3.10 -3.152033700e+00 -3.152033700e+00 3.12 -3.095941040e+00 -3.095941040e+00 3.14 -3.040089938e+00 -3.040089938e+00 3.16 -2.984561829e+00 -2.984561829e+00 3.18 -2.929430581e+00 -2.929430581e+00 3.20 -2.874762866e+00 -2.874762866e+00 3.22 -2.820618532e+00 -2.820618532e+00 3.24 -2.767050958e+00 -2.767050958e+00 3.26 -2.714107411e+00 -2.714107411e+00 3.28 -2.661829379e+00 -2.661829379e+00 3.30 -2.610252891e+00 -2.610252891e+00 3.32 -2.559408806e+00 -2.559408806e+00 3.34 -2.509323075e+00 -2.509323075e+00 3.36 -2.460016958e+00 -2.460016958e+00 3.38 -2.411507199e+00 -2.411507199e+00 3.40 -2.363806146e+00 -2.363806146e+00 3.42 -2.316921827e+00 -2.316921827e+00 3.44 -2.270857978e+00 -2.270857978e+00 3.46 -2.225614047e+00 -2.225614047e+00 3.48 -2.181185182e+00 -2.181185182e+00 3.50 -2.137562265e+00 -2.137562265e+00 3.52 -2.094731989e+00 -2.094731989e+00 3.54 -2.052677066e+00 -2.052677066e+00 3.56 -2.011376568e+00 -2.011376568e+00 3.58 -1.970806457e+00 -1.970806457e+00 3.60 -1.930940310e+00 -1.930940310e+00 3.62 -1.891750229e+00 -1.891750229e+00 3.64 -1.853207904e+00 -1.853207904e+00 3.66 -1.815285775e+00 -1.815285775e+00 3.68 -1.777958206e+00 -1.777958206e+00 3.70 -1.741202575e+00 -1.741202575e+00 3.72 -1.705000188e+00 -1.705000188e+00 3.74 -1.669336941e+00 -1.669336941e+00 3.76 -1.634203653e+00 -1.634203653e+00 3.78 -1.599596048e+00 -1.599596048e+00 3.80 -1.565514392e+00 -1.565514392e+00 3.82 -1.531962815e+00 -1.531962815e+00 3.84 -1.498948396e+00 -1.498948396e+00 3.86 -1.466480090e+00 -1.466480090e+00 3.88 -1.434567599e+00 -1.434567599e+00 3.90 -1.403220285e+00 -1.403220285e+00 3.92 -1.372446216e+00 -1.372446216e+00 3.94 -1.342251403e+00 -1.342251403e+00 3.96 -1.312639283e+00 -1.312639283e+00 3.98 -1.283610451e+00 -1.283610451e+00 4.00 -1.255162644e+00 -1.255162644e+00 4.02 -1.227290941e+00 -1.227290941e+00 4.04 -1.199988125e+00 -1.199988125e+00 4.06 -1.173245164e+00 -1.173245164e+00 4.08 -1.147051733e+00 -1.147051733e+00 4.10 -1.121396744e+00 -1.121396744e+00 4.12 -1.096268821e+00 -1.096268821e+00 4.14 -1.071656701e+00 -1.071656701e+00 4.16 -1.047549528e+00 -1.047549528e+00 4.18 -1.023937042e+00 -1.023937042e+00 4.20 -1.000809682e+00 -1.000809682e+00 4.22 -9.781585813e-01 -9.781585813e-01 4.24 -9.559755214e-01 -9.559755214e-01 4.26 -9.341632932e-01 -9.341632932e-01 4.28 -9.109027796e-01 -9.109027796e-01 4.30 -8.812260675e-01 -8.812260675e-01 4.32 -8.436977862e-01 -8.436977862e-01 4.34 -8.192167714e-01 -8.192167714e-01 4.36 -8.004509948e-01 -8.004509948e-01 4.38 -7.820978810e-01 -7.820978810e-01 4.40 -7.641501366e-01 -7.641501366e-01 4.42 -7.466005006e-01 -7.466005006e-01 4.44 -7.294417381e-01 -7.294417381e-01 4.46 -7.126666401e-01 -7.126666401e-01 4.48 -6.962680276e-01 -6.962680276e-01 4.50 -6.802387575e-01 -6.802387575e-01 4.52 -6.645717288e-01 -6.645717288e-01 4.54 -6.492598892e-01 -6.492598892e-01 4.56 -6.342962410e-01 -6.342962410e-01 4.58 -6.196738471e-01 -6.196738471e-01 4.60 -6.053858357e-01 -6.053858357e-01 4.62 -5.914254055e-01 -5.914254055e-01 4.64 -5.777858294e-01 -5.777858294e-01 4.66 -5.644604585e-01 -5.644604585e-01 4.68 -5.514427256e-01 -5.514427256e-01 4.70 -5.387261479e-01 -5.387261479e-01 4.72 -5.263043299e-01 -5.263043299e-01 4.74 -5.141709655e-01 -5.141709655e-01 4.76 -5.023198400e-01 -5.023198400e-01 4.78 -4.907448320e-01 -4.907448320e-01 4.80 -4.794399146e-01 -4.794399146e-01 4.82 -4.683991568e-01 -4.683991568e-01 4.84 -4.576167242e-01 -4.576167242e-01 4.86 -4.470868800e-01 -4.470868800e-01 4.88 -4.368039853e-01 -4.368039853e-01 4.90 -4.267624997e-01 -4.267624997e-01 4.92 -4.161623397e-01 -4.161623397e-01 4.94 -3.949029669e-01 -3.949029669e-01 4.96 -3.353749595e-01 -3.353749595e-01 4.98 -1.932566714e-01 -1.932566714e-01 5.00 -1.368606226e-22 -1.367272716e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00