# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ti-Co # implementation = 2025--Sharifi-H--Cu-Ti-Co--LAMMPS--ipr1 # composition = CoCuTi2 # 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 1.666708193e+02 1.666708193e+02 1.00 1.678682140e+02 1.678682140e+02 1.02 1.692889191e+02 1.692889191e+02 1.04 1.706384084e+02 1.706384084e+02 1.06 1.715339697e+02 1.715339697e+02 1.08 1.717379013e+02 1.717379013e+02 1.10 1.711211915e+02 1.711211915e+02 1.12 1.696347506e+02 1.696347506e+02 1.14 1.672868159e+02 1.672868159e+02 1.16 1.641253243e+02 1.641253243e+02 1.18 1.602243094e+02 1.602243094e+02 1.20 1.556735152e+02 1.556735152e+02 1.22 1.505705802e+02 1.505705802e+02 1.24 1.450152671e+02 1.450152671e+02 1.26 1.391053026e+02 1.391053026e+02 1.28 1.329334803e+02 1.329334803e+02 1.30 1.265857110e+02 1.265857110e+02 1.32 1.201398400e+02 1.201398400e+02 1.34 1.136650890e+02 1.136650890e+02 1.36 1.072219153e+02 1.072219153e+02 1.38 1.008621788e+02 1.008621788e+02 1.40 9.462952305e+01 9.462952305e+01 1.42 8.855990171e+01 8.855990171e+01 1.44 8.268219727e+01 8.268219727e+01 1.46 7.701888610e+01 7.701888610e+01 1.48 7.158672132e+01 7.158672132e+01 1.50 6.639740915e+01 6.639740915e+01 1.52 6.145826063e+01 6.145826063e+01 1.54 5.677280917e+01 5.677280917e+01 1.56 5.234138481e+01 5.234138481e+01 1.58 4.816164048e+01 4.816164048e+01 1.60 4.422902534e+01 4.422902534e+01 1.62 4.053721612e+01 4.053721612e+01 1.64 3.707850109e+01 3.707850109e+01 1.66 3.384411334e+01 3.384411334e+01 1.68 3.082452010e+01 3.082452010e+01 1.70 2.800967192e+01 2.800967192e+01 1.72 2.538921463e+01 2.538921463e+01 1.74 2.295266767e+01 2.295266767e+01 1.76 2.068957225e+01 2.068957225e+01 1.78 1.858961246e+01 1.858961246e+01 1.80 1.664271275e+01 1.664271275e+01 1.82 1.483911559e+01 1.483911559e+01 1.84 1.316945633e+01 1.316945633e+01 1.86 1.162480037e+01 1.162480037e+01 1.88 1.019665356e+01 1.019665356e+01 1.90 8.876981283e+00 8.876981283e+00 1.92 7.658218872e+00 7.658218872e+00 1.94 6.533274047e+00 6.533274047e+00 1.96 5.495522998e+00 5.495522998e+00 1.98 4.538801016e+00 4.538801016e+00 2.00 3.657385764e+00 3.657385764e+00 2.02 2.845967365e+00 2.845967365e+00 2.04 2.099609453e+00 2.099609453e+00 2.06 1.413719828e+00 1.413719828e+00 2.08 7.840260127e-01 7.840260127e-01 2.10 2.065525762e-01 2.065525762e-01 2.12 -3.223998245e-01 -3.223998245e-01 2.14 -8.062739100e-01 -8.062739100e-01 2.16 -1.248273847e+00 -1.248273847e+00 2.18 -1.651381960e+00 -1.651381960e+00 2.20 -2.018374290e+00 -2.018374290e+00 2.22 -2.351835009e+00 -2.351835009e+00 2.24 -2.654169794e+00 -2.654169794e+00 2.26 -2.927618271e+00 -2.927618271e+00 2.28 -3.174265551e+00 -3.174265551e+00 2.30 -3.396052945e+00 -3.396052945e+00 2.32 -3.594787944e+00 -3.594787944e+00 2.34 -3.772153460e+00 -3.772153460e+00 2.36 -3.929716436e+00 -3.929716436e+00 2.38 -4.068935849e+00 -4.068935849e+00 2.40 -4.191170137e+00 -4.191170137e+00 2.42 -4.297684124e+00 -4.297684124e+00 2.44 -4.389655444e+00 -4.389655444e+00 2.46 -4.468180525e+00 -4.468180525e+00 2.48 -4.534280165e+00 -4.534280165e+00 2.50 -4.588930054e+00 -4.588930054e+00 2.52 -4.633170453e+00 -4.633170453e+00 2.54 -4.667996484e+00 -4.667996484e+00 2.56 -4.694331549e+00 -4.694331549e+00 2.58 -4.713028715e+00 -4.713028715e+00 2.60 -4.724859595e+00 -4.724859595e+00 2.62 -4.730521223e+00 -4.730521223e+00 2.64 -4.730642919e+00 -4.730642919e+00 2.66 -4.725792541e+00 -4.725792541e+00 2.68 -4.716482197e+00 -4.716482197e+00 2.70 -4.703173465e+00 -4.703173465e+00 2.72 -4.686282144e+00 -4.686282144e+00 2.74 -4.666182587e+00 -4.666182587e+00 2.76 -4.643211655e+00 -4.643211655e+00 2.78 -4.617672314e+00 -4.617672314e+00 2.80 -4.589836909e+00 -4.589836909e+00 2.82 -4.559950150e+00 -4.559950150e+00 2.84 -4.528231816e+00 -4.528231816e+00 2.86 -4.494879224e+00 -4.494879224e+00 2.88 -4.460069467e+00 -4.460069467e+00 2.90 -4.423961444e+00 -4.423961444e+00 2.92 -4.386697705e+00 -4.386697705e+00 2.94 -4.348406122e+00 -4.348406122e+00 2.96 -4.309201405e+00 -4.309201405e+00 2.98 -4.269186469e+00 -4.269186469e+00 3.00 -4.228453681e+00 -4.228453681e+00 3.02 -4.187247489e+00 -4.187247489e+00 3.04 -4.147609183e+00 -4.147609183e+00 3.06 -4.110214295e+00 -4.110214295e+00 3.08 -4.067226969e+00 -4.067226969e+00 3.10 -4.023765672e+00 -4.023765672e+00 3.12 -3.979981337e+00 -3.979981337e+00 3.14 -3.935918230e+00 -3.935918230e+00 3.16 -3.891616487e+00 -3.891616487e+00 3.18 -3.847112599e+00 -3.847112599e+00 3.20 -3.802439832e+00 -3.802439832e+00 3.22 -3.757628613e+00 -3.757628613e+00 3.24 -3.712706859e+00 -3.712706859e+00 3.26 -3.667700276e+00 -3.667700276e+00 3.28 -3.622632615e+00 -3.622632615e+00 3.30 -3.577525900e+00 -3.577525900e+00 3.32 -3.532400619e+00 -3.532400619e+00 3.34 -3.487275897e+00 -3.487275897e+00 3.36 -3.442169646e+00 -3.442169646e+00 3.38 -3.397098694e+00 -3.397098694e+00 3.40 -3.352078901e+00 -3.352078901e+00 3.42 -3.307125269e+00 -3.307125269e+00 3.44 -3.262252038e+00 -3.262252038e+00 3.46 -3.217472777e+00 -3.217472777e+00 3.48 -3.172800467e+00 -3.172800467e+00 3.50 -3.128247584e+00 -3.128247584e+00 3.52 -3.083826163e+00 -3.083826163e+00 3.54 -3.039547867e+00 -3.039547867e+00 3.56 -2.995424039e+00 -2.995424039e+00 3.58 -2.951465746e+00 -2.951465746e+00 3.60 -2.907683815e+00 -2.907683815e+00 3.62 -2.864088863e+00 -2.864088863e+00 3.64 -2.820691311e+00 -2.820691311e+00 3.66 -2.777501402e+00 -2.777501402e+00 3.68 -2.734529202e+00 -2.734529202e+00 3.70 -2.691784610e+00 -2.691784610e+00 3.72 -2.649277353e+00 -2.649277353e+00 3.74 -2.607016990e+00 -2.607016990e+00 3.76 -2.565012911e+00 -2.565012911e+00 3.78 -2.523274335e+00 -2.523274335e+00 3.80 -2.481810307e+00 -2.481810307e+00 3.82 -2.440629703e+00 -2.440629703e+00 3.84 -2.399741224e+00 -2.399741224e+00 3.86 -2.359153394e+00 -2.359153394e+00 3.88 -2.318874561e+00 -2.318874561e+00 3.90 -2.278912895e+00 -2.278912895e+00 3.92 -2.239276382e+00 -2.239276382e+00 3.94 -2.199972820e+00 -2.199972820e+00 3.96 -2.161009817e+00 -2.161009817e+00 3.98 -2.122394782e+00 -2.122394782e+00 4.00 -2.084134918e+00 -2.084134918e+00 4.02 -2.046237214e+00 -2.046237214e+00 4.04 -2.008708432e+00 -2.008708432e+00 4.06 -1.971555096e+00 -1.971555096e+00 4.08 -1.934783471e+00 -1.934783471e+00 4.10 -1.898399549e+00 -1.898399549e+00 4.12 -1.862409018e+00 -1.862409018e+00 4.14 -1.826817242e+00 -1.826817242e+00 4.16 -1.791629221e+00 -1.791629221e+00 4.18 -1.756849559e+00 -1.756849559e+00 4.20 -1.722482412e+00 -1.722482412e+00 4.22 -1.688531443e+00 -1.688531443e+00 4.24 -1.654999763e+00 -1.654999763e+00 4.26 -1.621121913e+00 -1.621121913e+00 4.28 -1.570706845e+00 -1.570706845e+00 4.30 -1.452923003e+00 -1.452923003e+00 4.32 -1.225230026e+00 -1.225230026e+00 4.34 -1.127614098e+00 -1.127614098e+00 4.36 -1.095979986e+00 -1.095979986e+00 4.38 -1.065013939e+00 -1.065013939e+00 4.40 -1.034741014e+00 -1.034741014e+00 4.42 -1.005184792e+00 -1.005184792e+00 4.44 -9.763669368e-01 -9.763669368e-01 4.46 -9.483067630e-01 -9.483067630e-01 4.48 -9.210208188e-01 -9.210208188e-01 4.50 -8.945225015e-01 -8.945225015e-01 4.52 -8.688217207e-01 -8.688217207e-01 4.54 -8.439246209e-01 -8.439246209e-01 4.56 -8.198333788e-01 -8.198333788e-01 4.58 -7.965460823e-01 -7.965460823e-01 4.60 -7.740566996e-01 -7.740566996e-01 4.62 -7.523551415e-01 -7.523551415e-01 4.64 -7.314274151e-01 -7.314274151e-01 4.66 -7.112558660e-01 -7.112558660e-01 4.68 -6.918195005e-01 -6.918195005e-01 4.70 -6.730943756e-01 -6.730943756e-01 4.72 -6.550540444e-01 -6.550540444e-01 4.74 -6.376700407e-01 -6.376700407e-01 4.76 -6.209123862e-01 -6.209123862e-01 4.78 -6.047501035e-01 -6.047501035e-01 4.80 -5.891517199e-01 -5.891517199e-01 4.82 -5.740857464e-01 -5.740857464e-01 4.84 -5.595211196e-01 -5.595211196e-01 4.86 -5.454275963e-01 -5.454275963e-01 4.88 -5.317760938e-01 -5.317760938e-01 4.90 -5.185389695e-01 -5.185389695e-01 4.92 -5.044584513e-01 -5.044584513e-01 4.94 -4.740820210e-01 -4.740820210e-01 4.96 -3.886798253e-01 -3.886798253e-01 4.98 -2.049261691e-01 -2.049261691e-01 5.00 -1.852718846e-22 -1.852461454e-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