# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = CoTiZr2 # 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 2024-04-11 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 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.918690179e+02 2.918690179e+02 1.30 2.706838468e+02 2.706838468e+02 1.32 2.510593586e+02 2.510593586e+02 1.34 2.328700102e+02 2.328700102e+02 1.36 2.160015877e+02 2.160015877e+02 1.38 2.003510436e+02 2.003510436e+02 1.40 1.858253662e+02 1.858253662e+02 1.42 1.723395087e+02 1.723395087e+02 1.44 1.598146240e+02 1.598146240e+02 1.46 1.481776251e+02 1.481776251e+02 1.48 1.373615391e+02 1.373615391e+02 1.50 1.273053493e+02 1.273053493e+02 1.52 1.179530714e+02 1.179530714e+02 1.54 1.092527704e+02 1.092527704e+02 1.56 1.011562648e+02 1.011562648e+02 1.58 9.361939544e+01 9.361939544e+01 1.60 8.660208163e+01 8.660208163e+01 1.62 8.006781325e+01 8.006781325e+01 1.64 7.398289265e+01 7.398289265e+01 1.66 6.831580929e+01 6.831580929e+01 1.68 6.303694264e+01 6.303694264e+01 1.70 5.811865714e+01 5.811865714e+01 1.72 5.353543173e+01 5.353543173e+01 1.74 4.926388749e+01 4.926388749e+01 1.76 4.528260841e+01 4.528260841e+01 1.78 4.157189517e+01 4.157189517e+01 1.80 3.811348619e+01 3.811348619e+01 1.82 3.489035180e+01 3.489035180e+01 1.84 3.188644372e+01 3.188644372e+01 1.86 2.908665858e+01 2.908665858e+01 1.88 2.647689368e+01 2.647689368e+01 1.90 2.404415473e+01 2.404415473e+01 1.92 2.177654622e+01 2.177654622e+01 1.94 1.966334317e+01 1.966334317e+01 1.96 1.769531184e+01 1.769531184e+01 1.98 1.586313878e+01 1.586313878e+01 2.00 1.415816801e+01 1.415816801e+01 2.02 1.257261876e+01 1.257261876e+01 2.04 1.109878715e+01 1.109878715e+01 2.06 9.729309999e+00 9.729309999e+00 2.08 8.457211878e+00 8.457211878e+00 2.10 7.275884360e+00 7.275884360e+00 2.12 6.179103735e+00 6.179103735e+00 2.14 5.161060101e+00 5.161060101e+00 2.16 4.216399964e+00 4.216399964e+00 2.18 3.340223021e+00 3.340223021e+00 2.20 2.528049012e+00 2.528049012e+00 2.22 1.775731392e+00 1.775731392e+00 2.24 1.079387532e+00 1.079387532e+00 2.26 4.353636514e-01 4.353636514e-01 2.28 -1.597792442e-01 -1.597792442e-01 2.30 -7.092227933e-01 -7.092227933e-01 2.32 -1.215920088e+00 -1.215920088e+00 2.34 -1.682569461e+00 -1.682569461e+00 2.36 -2.111669292e+00 -2.111669292e+00 2.38 -2.505549999e+00 -2.505549999e+00 2.40 -2.866414226e+00 -2.866414226e+00 2.42 -3.196380273e+00 -3.196380273e+00 2.44 -3.497502125e+00 -3.497502125e+00 2.46 -3.771788906e+00 -3.771788906e+00 2.48 -4.021197864e+00 -4.021197864e+00 2.50 -4.247613516e+00 -4.247613516e+00 2.52 -4.452818868e+00 -4.452818868e+00 2.54 -4.638467802e+00 -4.638467802e+00 2.56 -4.806066000e+00 -4.806066000e+00 2.58 -4.956964530e+00 -4.956964530e+00 2.60 -5.092366398e+00 -5.092366398e+00 2.62 -5.213339385e+00 -5.213339385e+00 2.64 -5.320851602e+00 -5.320851602e+00 2.66 -5.415769518e+00 -5.415769518e+00 2.68 -5.498895034e+00 -5.498895034e+00 2.70 -5.570977542e+00 -5.570977542e+00 2.72 -5.632726362e+00 -5.632726362e+00 2.74 -5.684829109e+00 -5.684829109e+00 2.76 -5.728045321e+00 -5.728045321e+00 2.78 -5.762908026e+00 -5.762908026e+00 2.80 -5.789892076e+00 -5.789892076e+00 2.82 -5.809451732e+00 -5.809451732e+00 2.84 -5.822028588e+00 -5.822028588e+00 2.86 -5.828046470e+00 -5.828046470e+00 2.88 -5.827912535e+00 -5.827912535e+00 2.90 -5.822019724e+00 -5.822019724e+00 2.92 -5.810694165e+00 -5.810694165e+00 2.94 -5.794045057e+00 -5.794045057e+00 2.96 -5.772175956e+00 -5.772175956e+00 2.98 -5.745248182e+00 -5.745248182e+00 3.00 -5.713532247e+00 -5.713532247e+00 3.02 -5.677239853e+00 -5.677239853e+00 3.04 -5.636576240e+00 -5.636576240e+00 3.06 -5.591791384e+00 -5.591791384e+00 3.08 -5.543141286e+00 -5.543141286e+00 3.10 -5.490894955e+00 -5.490894955e+00 3.12 -5.435318138e+00 -5.435318138e+00 3.14 -5.376683139e+00 -5.376683139e+00 3.16 -5.315246307e+00 -5.315246307e+00 3.18 -5.251251123e+00 -5.251251123e+00 3.20 -5.184854989e+00 -5.184854989e+00 3.22 -5.116195932e+00 -5.116195932e+00 3.24 -5.045434201e+00 -5.045434201e+00 3.26 -4.972751199e+00 -4.972751199e+00 3.28 -4.898348067e+00 -4.898348067e+00 3.30 -4.822442788e+00 -4.822442788e+00 3.32 -4.745264663e+00 -4.745264663e+00 3.34 -4.667045899e+00 -4.667045899e+00 3.36 -4.588011460e+00 -4.588011460e+00 3.38 -4.508369325e+00 -4.508369325e+00 3.40 -4.428301772e+00 -4.428301772e+00 3.42 -4.347969130e+00 -4.347969130e+00 3.44 -4.267499949e+00 -4.267499949e+00 3.46 -4.187002736e+00 -4.187002736e+00 3.48 -4.106569422e+00 -4.106569422e+00 3.50 -4.026280844e+00 -4.026280844e+00 3.52 -3.946211107e+00 -3.946211107e+00 3.54 -3.866430237e+00 -3.866430237e+00 3.56 -3.787005036e+00 -3.787005036e+00 3.58 -3.707998440e+00 -3.707998440e+00 3.60 -3.629467972e+00 -3.629467972e+00 3.62 -3.551463998e+00 -3.551463998e+00 3.64 -3.474028482e+00 -3.474028482e+00 3.66 -3.397194754e+00 -3.397194754e+00 3.68 -3.320988512e+00 -3.320988512e+00 3.70 -3.245430035e+00 -3.245430035e+00 3.72 -3.170537359e+00 -3.170537359e+00 3.74 -3.096330046e+00 -3.096330046e+00 3.76 -3.022833133e+00 -3.022833133e+00 3.78 -2.950080801e+00 -2.950080801e+00 3.80 -2.878119263e+00 -2.878119263e+00 3.82 -2.807008378e+00 -2.807008378e+00 3.84 -2.736821507e+00 -2.736821507e+00 3.86 -2.667643314e+00 -2.667643314e+00 3.88 -2.599565508e+00 -2.599565508e+00 3.90 -2.532680937e+00 -2.532680937e+00 3.92 -2.467073511e+00 -2.467073511e+00 3.94 -2.402825845e+00 -2.402825845e+00 3.96 -2.339991872e+00 -2.339991872e+00 3.98 -2.278609549e+00 -2.278609549e+00 4.00 -2.218696032e+00 -2.218696032e+00 4.02 -2.160249182e+00 -2.160249182e+00 4.04 -2.103250625e+00 -2.103250625e+00 4.06 -2.047669637e+00 -2.047669637e+00 4.08 -1.993467175e+00 -1.993467175e+00 4.10 -1.940592193e+00 -1.940592193e+00 4.12 -1.889015668e+00 -1.889015668e+00 4.14 -1.838684197e+00 -1.838684197e+00 4.16 -1.789556017e+00 -1.789556017e+00 4.18 -1.741592990e+00 -1.741592990e+00 4.20 -1.694761208e+00 -1.694761208e+00 4.22 -1.649031207e+00 -1.649031207e+00 4.24 -1.604377847e+00 -1.604377847e+00 4.26 -1.560779910e+00 -1.560779910e+00 4.28 -1.518219462e+00 -1.518219462e+00 4.30 -1.476681042e+00 -1.476681042e+00 4.32 -1.436150736e+00 -1.436150736e+00 4.34 -1.396615244e+00 -1.396615244e+00 4.36 -1.358061023e+00 -1.358061023e+00 4.38 -1.320473610e+00 -1.320473610e+00 4.40 -1.283837168e+00 -1.283837168e+00 4.42 -1.248134286e+00 -1.248134286e+00 4.44 -1.213345988e+00 -1.213345988e+00 4.46 -1.179451919e+00 -1.179451919e+00 4.48 -1.146430618e+00 -1.146430618e+00 4.50 -1.114259830e+00 -1.114259830e+00 4.52 -1.082916798e+00 -1.082916798e+00 4.54 -1.052378509e+00 -1.052378509e+00 4.56 -1.022621870e+00 -1.022621870e+00 4.58 -9.936238467e-01 -9.936238467e-01 4.60 -9.653615346e-01 -9.653615346e-01 4.62 -9.378122226e-01 -9.378122226e-01 4.64 -9.109534365e-01 -9.109534365e-01 4.66 -8.847629939e-01 -8.847629939e-01 4.68 -8.592190799e-01 -8.592190799e-01 4.70 -8.343003540e-01 -8.343003540e-01 4.72 -8.099860964e-01 -8.099860964e-01 4.74 -7.862563962e-01 -7.862563962e-01 4.76 -7.630923797e-01 -7.630923797e-01 4.78 -7.404764738e-01 -7.404764738e-01 4.80 -7.183865966e-01 -7.183865966e-01 4.82 -6.968218468e-01 -6.968218468e-01 4.84 -6.757629389e-01 -6.757629389e-01 4.86 -6.552002548e-01 -6.552002548e-01 4.88 -6.351266138e-01 -6.351266138e-01 4.90 -6.155372500e-01 -6.155372500e-01 4.92 -5.964296277e-01 -5.964296277e-01 4.94 -5.778030806e-01 -5.778030806e-01 4.96 -5.596582786e-01 -5.596582786e-01 4.98 -5.419965511e-01 -5.419965511e-01 5.00 -5.248191186e-01 -5.248191186e-01 5.02 -5.081262998e-01 -5.081262998e-01 5.04 -4.919167725e-01 -4.919167725e-01 5.06 -4.761869581e-01 -4.761869581e-01 5.08 -4.609305879e-01 -4.609305879e-01 5.10 -4.461384843e-01 -4.461384843e-01 5.12 -4.317985644e-01 -4.317985644e-01 5.14 -4.178960519e-01 -4.178960519e-01 5.16 -4.044138600e-01 -4.044138600e-01 5.18 -3.913331037e-01 -3.913331037e-01 5.20 -3.786336927e-01 -3.786336927e-01 5.22 -3.662949609e-01 -3.662949609e-01 5.24 -3.542962968e-01 -3.542962968e-01 5.26 -3.426177466e-01 -3.426177466e-01 5.28 -3.312405700e-01 -3.312405700e-01 5.30 -3.201477347e-01 -3.201477347e-01 5.32 -3.093243368e-01 -3.093243368e-01 5.34 -2.987579352e-01 -2.987579352e-01 5.36 -2.884387862e-01 -2.884387862e-01 5.38 -2.783599626e-01 -2.783599626e-01 5.40 -2.685173413e-01 -2.685173413e-01 5.42 -2.589094472e-01 -2.589094472e-01 5.44 -2.495371492e-01 -2.495371492e-01 5.46 -2.404032146e-01 -2.404032146e-01 5.48 -2.315117452e-01 -2.315117452e-01 5.50 -2.228675329e-01 -2.228675329e-01 5.52 -2.144753850e-01 -2.144753850e-01 5.54 -2.063394808e-01 -2.063394808e-01 5.56 -1.984628153e-01 -1.984628153e-01 5.58 -1.908467801e-01 -1.908467801e-01 5.60 -1.834909143e-01 -1.834909143e-01 5.62 -1.763928355e-01 -1.763928355e-01 5.64 -1.695483399e-01 -1.695483399e-01 5.66 -1.629516413e-01 -1.629516413e-01 5.68 -1.565957043e-01 -1.565957043e-01 5.70 -1.504726220e-01 -1.504726220e-01 5.72 -1.445739893e-01 -1.445739893e-01 5.74 -1.388912298e-01 -1.388912298e-01 5.76 -1.334158452e-01 -1.334158452e-01 5.78 -1.281395716e-01 -1.281395716e-01 5.80 -1.230544374e-01 -1.230544374e-01 5.82 -1.181527179e-01 -1.181527179e-01 5.84 -1.134266051e-01 -1.134266051e-01 5.86 -1.088686476e-01 -1.088686476e-01 5.88 -1.044713686e-01 -1.044713686e-01 5.90 -1.002269934e-01 -1.002269934e-01 5.92 -9.612736097e-02 -9.612736097e-02 5.94 -9.216388618e-02 -9.216388618e-02 5.96 -8.832758067e-02 -8.832758067e-02 5.98 -8.460913179e-02 -8.460913179e-02 6.00 -8.099903477e-02 -8.099903477e-02