# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = Cr2NiW # 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 2.342283253e+02 2.342283253e+02 1.00 2.192297358e+02 2.192297358e+02 1.02 2.052081407e+02 2.052081407e+02 1.04 1.920963781e+02 1.920963781e+02 1.06 1.829381965e+02 1.829381965e+02 1.08 1.792202591e+02 1.792202591e+02 1.10 1.786800866e+02 1.786800866e+02 1.12 1.797079502e+02 1.797079502e+02 1.14 1.811892673e+02 1.811892673e+02 1.16 1.823833000e+02 1.823833000e+02 1.18 1.829726827e+02 1.829726827e+02 1.20 1.827847512e+02 1.827847512e+02 1.22 1.815828535e+02 1.815828535e+02 1.24 1.792720641e+02 1.792720641e+02 1.26 1.758572354e+02 1.758572354e+02 1.28 1.714100622e+02 1.714100622e+02 1.30 1.660442048e+02 1.660442048e+02 1.32 1.598967630e+02 1.598967630e+02 1.34 1.531147581e+02 1.531147581e+02 1.36 1.458455090e+02 1.458455090e+02 1.38 1.382300205e+02 1.382300205e+02 1.40 1.303986761e+02 1.303986761e+02 1.42 1.224686665e+02 1.224686665e+02 1.44 1.145427159e+02 1.145427159e+02 1.46 1.067087378e+02 1.067087378e+02 1.48 9.904015790e+01 9.904015790e+01 1.50 9.159669081e+01 9.159669081e+01 1.52 8.442540192e+01 8.442540192e+01 1.54 7.756193656e+01 7.756193656e+01 1.56 7.103182115e+01 7.103182115e+01 1.58 6.485176943e+01 6.485176943e+01 1.60 5.903095078e+01 5.903095078e+01 1.62 5.357218449e+01 5.357218449e+01 1.64 4.847304138e+01 4.847304138e+01 1.66 4.372684182e+01 4.372684182e+01 1.68 3.932354946e+01 3.932354946e+01 1.70 3.525055602e+01 3.525055602e+01 1.72 3.149336116e+01 3.149336116e+01 1.74 2.803615318e+01 2.803615318e+01 1.76 2.486229996e+01 2.486229996e+01 1.78 2.195475612e+01 2.195475612e+01 1.80 1.929639514e+01 1.929639514e+01 1.82 1.687027692e+01 1.687027692e+01 1.84 1.465985724e+01 1.465985724e+01 1.86 1.264914595e+01 1.264914595e+01 1.88 1.082282018e+01 1.082282018e+01 1.90 9.166300414e+00 9.166300414e+00 1.92 7.665792002e+00 7.665792002e+00 1.94 6.308298937e+00 6.308298937e+00 1.96 5.081622425e+00 5.081622425e+00 1.98 3.974350340e+00 3.974350340e+00 2.00 2.975833999e+00 2.975833999e+00 2.02 2.076152841e+00 2.076152841e+00 2.04 1.266117718e+00 1.266117718e+00 2.06 5.372970791e-01 5.372970791e-01 2.08 -1.179483984e-01 -1.179483984e-01 2.10 -7.064333111e-01 -7.064333111e-01 2.12 -1.234135132e+00 -1.234135132e+00 2.14 -1.706213507e+00 -1.706213507e+00 2.16 -2.127063731e+00 -2.127063731e+00 2.18 -2.500412585e+00 -2.500412585e+00 2.20 -2.829455190e+00 -2.829455190e+00 2.22 -3.117015979e+00 -3.117015979e+00 2.24 -3.365719544e+00 -3.365719544e+00 2.26 -3.578146705e+00 -3.578146705e+00 2.28 -3.756952123e+00 -3.756952123e+00 2.30 -3.904927708e+00 -3.904927708e+00 2.32 -4.025006963e+00 -4.025006963e+00 2.34 -4.120217208e+00 -4.120217208e+00 2.36 -4.193596123e+00 -4.193596123e+00 2.38 -4.248099240e+00 -4.248099240e+00 2.40 -4.286693911e+00 -4.286693911e+00 2.42 -4.312277065e+00 -4.312277065e+00 2.44 -4.327368320e+00 -4.327368320e+00 2.46 -4.334088680e+00 -4.334088680e+00 2.48 -4.334179241e+00 -4.334179241e+00 2.50 -4.329036393e+00 -4.329036393e+00 2.52 -4.319756586e+00 -4.319756586e+00 2.54 -4.307184540e+00 -4.307184540e+00 2.56 -4.291960194e+00 -4.291960194e+00 2.58 -4.274561449e+00 -4.274561449e+00 2.60 -4.255341123e+00 -4.255341123e+00 2.62 -4.234533765e+00 -4.234533765e+00 2.64 -4.212204592e+00 -4.212204592e+00 2.66 -4.188362187e+00 -4.188362187e+00 2.68 -4.163004053e+00 -4.163004053e+00 2.70 -4.136124553e+00 -4.136124553e+00 2.72 -4.107720189e+00 -4.107720189e+00 2.74 -4.077792887e+00 -4.077792887e+00 2.76 -4.046351819e+00 -4.046351819e+00 2.78 -4.013414196e+00 -4.013414196e+00 2.80 -3.979005357e+00 -3.979005357e+00 2.82 -3.943158401e+00 -3.943158401e+00 2.84 -3.905913548e+00 -3.905913548e+00 2.86 -3.867317343e+00 -3.867317343e+00 2.88 -3.827421801e+00 -3.827421801e+00 2.90 -3.786283550e+00 -3.786283550e+00 2.92 -3.743963004e+00 -3.743963004e+00 2.94 -3.700523589e+00 -3.700523589e+00 2.96 -3.656031038e+00 -3.656031038e+00 2.98 -3.610552758e+00 -3.610552758e+00 3.00 -3.564157264e+00 -3.564157264e+00 3.02 -3.516913680e+00 -3.516913680e+00 3.04 -3.468891308e+00 -3.468891308e+00 3.06 -3.420159251e+00 -3.420159251e+00 3.08 -3.370786085e+00 -3.370786085e+00 3.10 -3.320839583e+00 -3.320839583e+00 3.12 -3.270386479e+00 -3.270386479e+00 3.14 -3.219492261e+00 -3.219492261e+00 3.16 -3.168221009e+00 -3.168221009e+00 3.18 -3.116635247e+00 -3.116635247e+00 3.20 -3.064795825e+00 -3.064795825e+00 3.22 -3.012761828e+00 -3.012761828e+00 3.24 -2.960590493e+00 -2.960590493e+00 3.26 -2.908337148e+00 -2.908337148e+00 3.28 -2.856055166e+00 -2.856055166e+00 3.30 -2.803795927e+00 -2.803795927e+00 3.32 -2.751608795e+00 -2.751608795e+00 3.34 -2.699541102e+00 -2.699541102e+00 3.36 -2.647638142e+00 -2.647638142e+00 3.38 -2.595943169e+00 -2.595943169e+00 3.40 -2.544497407e+00 -2.544497407e+00 3.42 -2.493340059e+00 -2.493340059e+00 3.44 -2.442508325e+00 -2.442508325e+00 3.46 -2.392037424e+00 -2.392037424e+00 3.48 -2.341960621e+00 -2.341960621e+00 3.50 -2.292309251e+00 -2.292309251e+00 3.52 -2.243112754e+00 -2.243112754e+00 3.54 -2.194398709e+00 -2.194398709e+00 3.56 -2.146192868e+00 -2.146192868e+00 3.58 -2.098519194e+00 -2.098519194e+00 3.60 -2.051399907e+00 -2.051399907e+00 3.62 -2.004855516e+00 -2.004855516e+00 3.64 -1.958904869e+00 -1.958904869e+00 3.66 -1.913565193e+00 -1.913565193e+00 3.68 -1.868852142e+00 -1.868852142e+00 3.70 -1.824779841e+00 -1.824779841e+00 3.72 -1.781360931e+00 -1.781360931e+00 3.74 -1.738606618e+00 -1.738606618e+00 3.76 -1.696526724e+00 -1.696526724e+00 3.78 -1.655129728e+00 -1.655129728e+00 3.80 -1.614422822e+00 -1.614422822e+00 3.82 -1.574411954e+00 -1.574411954e+00 3.84 -1.535101883e+00 -1.535101883e+00 3.86 -1.496496225e+00 -1.496496225e+00 3.88 -1.458597502e+00 -1.458597502e+00 3.90 -1.421407196e+00 -1.421407196e+00 3.92 -1.384925795e+00 -1.384925795e+00 3.94 -1.349152842e+00 -1.349152842e+00 3.96 -1.314086989e+00 -1.314086989e+00 3.98 -1.279726042e+00 -1.279726042e+00 4.00 -1.246067009e+00 -1.246067009e+00 4.02 -1.213106155e+00 -1.213106155e+00 4.04 -1.180839039e+00 -1.180839039e+00 4.06 -1.149260572e+00 -1.149260572e+00 4.08 -1.118365056e+00 -1.118365056e+00 4.10 -1.088146229e+00 -1.088146229e+00 4.12 -1.058597317e+00 -1.058597317e+00 4.14 -1.029711066e+00 -1.029711066e+00 4.16 -1.001479793e+00 -1.001479793e+00 4.18 -9.738954224e-01 -9.738954224e-01 4.20 -9.469495265e-01 -9.469495265e-01 4.22 -9.206333622e-01 -9.206333622e-01 4.24 -8.949379085e-01 -8.949379085e-01 4.26 -8.698229254e-01 -8.698229254e-01 4.28 -8.446642695e-01 -8.446642695e-01 4.30 -8.178547132e-01 -8.178547132e-01 4.32 -7.891681985e-01 -7.891681985e-01 4.34 -7.651693788e-01 -7.651693788e-01 4.36 -7.433544984e-01 -7.433544984e-01 4.38 -7.220801109e-01 -7.220801109e-01 4.40 -7.013364146e-01 -7.013364146e-01 4.42 -6.811135799e-01 -6.811135799e-01 4.44 -6.614017672e-01 -6.614017672e-01 4.46 -6.421911446e-01 -6.421911446e-01 4.48 -6.234719034e-01 -6.234719034e-01 4.50 -6.052342725e-01 -6.052342725e-01 4.52 -5.874685314e-01 -5.874685314e-01 4.54 -5.701650214e-01 -5.701650214e-01 4.56 -5.533141571e-01 -5.533141571e-01 4.58 -5.369064346e-01 -5.369064346e-01 4.60 -5.209324406e-01 -5.209324406e-01 4.62 -5.053828595e-01 -5.053828595e-01 4.64 -4.902484797e-01 -4.902484797e-01 4.66 -4.755201993e-01 -4.755201993e-01 4.68 -4.611890309e-01 -4.611890309e-01 4.70 -4.472461056e-01 -4.472461056e-01 4.72 -4.336826766e-01 -4.336826766e-01 4.74 -4.204901219e-01 -4.204901219e-01 4.76 -4.076599470e-01 -4.076599470e-01 4.78 -3.951837865e-01 -3.951837865e-01 4.80 -3.830534056e-01 -3.830534056e-01 4.82 -3.712607012e-01 -3.712607012e-01 4.84 -3.597977029e-01 -3.597977029e-01 4.86 -3.486565730e-01 -3.486565730e-01 4.88 -3.378296073e-01 -3.378296073e-01 4.90 -3.273092346e-01 -3.273092346e-01 4.92 -3.160833783e-01 -3.160833783e-01 4.94 -2.917688493e-01 -2.917688493e-01 4.96 -2.259454684e-01 -2.259454684e-01 4.98 -1.013537736e-01 -1.013537736e-01 5.00 -8.723205804e-24 -8.724553747e-24 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 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