# 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 = Ag2AuTi # 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 3.036893131e+02 3.036893131e+02 1.30 2.815141971e+02 2.815141971e+02 1.32 2.609886763e+02 2.609886763e+02 1.34 2.419784226e+02 2.419784226e+02 1.36 2.243614043e+02 2.243614043e+02 1.38 2.080272217e+02 2.080272217e+02 1.40 1.928757049e+02 1.928757049e+02 1.42 1.788152452e+02 1.788152452e+02 1.44 1.657615606e+02 1.657615606e+02 1.46 1.536372490e+02 1.536372490e+02 1.48 1.423717876e+02 1.423717876e+02 1.50 1.319013151e+02 1.319013151e+02 1.52 1.221678443e+02 1.221678443e+02 1.54 1.131180965e+02 1.131180965e+02 1.56 1.047024368e+02 1.047024368e+02 1.58 9.687429228e+01 9.687429228e+01 1.60 8.959007358e+01 8.959007358e+01 1.62 8.280934241e+01 8.280934241e+01 1.64 7.649494472e+01 7.649494472e+01 1.66 7.061295588e+01 7.061295588e+01 1.68 6.513241295e+01 6.513241295e+01 1.70 6.002490490e+01 6.002490490e+01 1.72 5.526668581e+01 5.526668581e+01 1.74 5.084374733e+01 5.084374733e+01 1.76 4.673400598e+01 4.673400598e+01 1.78 4.291717893e+01 4.291717893e+01 1.80 3.937243118e+01 3.937243118e+01 1.82 3.608040158e+01 3.608040158e+01 1.84 3.302324165e+01 3.302324165e+01 1.86 3.018450505e+01 3.018450505e+01 1.88 2.754900882e+01 2.754900882e+01 1.90 2.510267513e+01 2.510267513e+01 1.92 2.283238354e+01 2.283238354e+01 1.94 2.072586960e+01 2.072586960e+01 1.96 1.877168365e+01 1.877168365e+01 1.98 1.695918758e+01 1.695918758e+01 2.00 1.527854021e+01 1.527854021e+01 2.02 1.372063822e+01 1.372063822e+01 2.04 1.227702355e+01 1.227702355e+01 2.06 1.093979522e+01 1.093979522e+01 2.08 9.701554441e+00 9.701554441e+00 2.10 8.555383240e+00 8.555383240e+00 2.12 7.494837147e+00 7.494837147e+00 2.14 6.513932362e+00 6.513932362e+00 2.16 5.607122677e+00 5.607122677e+00 2.18 4.769271306e+00 4.769271306e+00 2.20 3.995623492e+00 3.995623492e+00 2.22 3.281779732e+00 3.281779732e+00 2.24 2.623666556e+00 2.623666556e+00 2.26 2.017502818e+00 2.017502818e+00 2.28 1.459764801e+00 1.459764801e+00 2.30 9.471571251e-01 9.471571251e-01 2.32 4.765950139e-01 4.765950139e-01 2.34 4.519756673e-02 4.519756673e-02 2.36 -3.497157070e-01 -3.497157070e-01 2.38 -7.106325881e-01 -7.106325881e-01 2.40 -1.039864026e+00 -1.039864026e+00 2.42 -1.339566115e+00 -1.339566115e+00 2.44 -1.611762966e+00 -1.611762966e+00 2.46 -1.858366410e+00 -1.858366410e+00 2.48 -2.081190158e+00 -2.081190158e+00 2.50 -2.281958312e+00 -2.281958312e+00 2.52 -2.462309374e+00 -2.462309374e+00 2.54 -2.623821055e+00 -2.623821055e+00 2.56 -2.768002266e+00 -2.768002266e+00 2.58 -2.896177508e+00 -2.896177508e+00 2.60 -3.009603734e+00 -3.009603734e+00 2.62 -3.109473534e+00 -3.109473534e+00 2.64 -3.196906206e+00 -3.196906206e+00 2.66 -3.272935747e+00 -3.272935747e+00 2.68 -3.338499936e+00 -3.338499936e+00 2.70 -3.394424367e+00 -3.394424367e+00 2.72 -3.441347768e+00 -3.441347768e+00 2.74 -3.479740521e+00 -3.479740521e+00 2.76 -3.510052073e+00 -3.510052073e+00 2.78 -3.532716464e+00 -3.532716464e+00 2.80 -3.548155451e+00 -3.548155451e+00 2.82 -3.556780777e+00 -3.556780777e+00 2.84 -3.558996025e+00 -3.558996025e+00 2.86 -3.555196714e+00 -3.555196714e+00 2.88 -3.545766190e+00 -3.545766190e+00 2.90 -3.531082546e+00 -3.531082546e+00 2.92 -3.511522542e+00 -3.511522542e+00 2.94 -3.487502492e+00 -3.487502492e+00 2.96 -3.459572968e+00 -3.459572968e+00 2.98 -3.427963430e+00 -3.427963430e+00 3.00 -3.392892699e+00 -3.392892699e+00 3.02 -3.354623212e+00 -3.354623212e+00 3.04 -3.313453894e+00 -3.313453894e+00 3.06 -3.269709186e+00 -3.269709186e+00 3.08 -3.223723942e+00 -3.223723942e+00 3.10 -3.175827125e+00 -3.175827125e+00 3.12 -3.126334208e+00 -3.126334208e+00 3.14 -3.075536108e+00 -3.075536108e+00 3.16 -3.023680566e+00 -3.023680566e+00 3.18 -2.970971761e+00 -2.970971761e+00 3.20 -2.917574828e+00 -2.917574828e+00 3.22 -2.863622847e+00 -2.863622847e+00 3.24 -2.809224496e+00 -2.809224496e+00 3.26 -2.754471147e+00 -2.754471147e+00 3.28 -2.699442743e+00 -2.699442743e+00 3.30 -2.644212251e+00 -2.644212251e+00 3.32 -2.588848819e+00 -2.588848819e+00 3.34 -2.533419873e+00 -2.533419873e+00 3.36 -2.477992445e+00 -2.477992445e+00 3.38 -2.422634003e+00 -2.422634003e+00 3.40 -2.367412971e+00 -2.367412971e+00 3.42 -2.312399215e+00 -2.312399215e+00 3.44 -2.257664327e+00 -2.257664327e+00 3.46 -2.203282053e+00 -2.203282053e+00 3.48 -2.149328504e+00 -2.149328504e+00 3.50 -2.095882049e+00 -2.095882049e+00 3.52 -2.043022611e+00 -2.043022611e+00 3.54 -1.990830140e+00 -1.990830140e+00 3.56 -1.939382180e+00 -1.939382180e+00 3.58 -1.888750728e+00 -1.888750728e+00 3.60 -1.838998837e+00 -1.838998837e+00 3.62 -1.790177596e+00 -1.790177596e+00 3.64 -1.742324076e+00 -1.742324076e+00 3.66 -1.695460610e+00 -1.695460610e+00 3.68 -1.649595436e+00 -1.649595436e+00 3.70 -1.604724430e+00 -1.604724430e+00 3.72 -1.560833513e+00 -1.560833513e+00 3.74 -1.517901286e+00 -1.517901286e+00 3.76 -1.475901558e+00 -1.475901558e+00 3.78 -1.434805550e+00 -1.434805550e+00 3.80 -1.394583693e+00 -1.394583693e+00 3.82 -1.355207005e+00 -1.355207005e+00 3.84 -1.316648081e+00 -1.316648081e+00 3.86 -1.278881743e+00 -1.278881743e+00 3.88 -1.241885379e+00 -1.241885379e+00 3.90 -1.205639039e+00 -1.205639039e+00 3.92 -1.170125290e+00 -1.170125290e+00 3.94 -1.135329021e+00 -1.135329021e+00 3.96 -1.101236899e+00 -1.101236899e+00 3.98 -1.067837022e+00 -1.067837022e+00 4.00 -1.035118430e+00 -1.035118430e+00 4.02 -1.003070713e+00 -1.003070713e+00 4.04 -9.716837033e-01 -9.716837033e-01 4.06 -9.409473250e-01 -9.409473250e-01 4.08 -9.108515889e-01 -9.108515889e-01 4.10 -8.813867076e-01 -8.813867076e-01 4.12 -8.525437066e-01 -8.525437066e-01 4.14 -8.243144955e-01 -8.243144955e-01 4.16 -7.966927637e-01 -7.966927637e-01 4.18 -7.696745492e-01 -7.696745492e-01 4.20 -7.432588589e-01 -7.432588589e-01 4.22 -7.174481661e-01 -7.174481661e-01 4.24 -6.922486901e-01 -6.922486901e-01 4.26 -6.676703609e-01 -6.676703609e-01 4.28 -6.437264012e-01 -6.437264012e-01 4.30 -6.204324938e-01 -6.204324938e-01 4.32 -5.978055602e-01 -5.978055602e-01 4.34 -5.758622400e-01 -5.758622400e-01 4.36 -5.546172126e-01 -5.546172126e-01 4.38 -5.340815441e-01 -5.340815441e-01 4.40 -5.142612448e-01 -5.142612448e-01 4.42 -4.951561950e-01 -4.951561950e-01 4.44 -4.767595439e-01 -4.767595439e-01 4.46 -4.590576116e-01 -4.590576116e-01 4.48 -4.420302583e-01 -4.420302583e-01 4.50 -4.256516285e-01 -4.256516285e-01 4.52 -4.098911486e-01 -4.098911486e-01 4.54 -3.947146488e-01 -3.947146488e-01 4.56 -3.800854995e-01 -3.800854995e-01 4.58 -3.659656734e-01 -3.659656734e-01 4.60 -3.523166846e-01 -3.523166846e-01 4.62 -3.391003797e-01 -3.391003797e-01 4.64 -3.262795860e-01 -3.262795860e-01 4.66 -3.138186353e-01 -3.138186353e-01 4.68 -3.016837939e-01 -3.016837939e-01 4.70 -2.898436318e-01 -2.898436318e-01 4.72 -2.782693622e-01 -2.782693622e-01 4.74 -2.669351775e-01 -2.669351775e-01 4.76 -2.558185990e-01 -2.558185990e-01 4.78 -2.449008482e-01 -2.449008482e-01 4.80 -2.341671918e-01 -2.341671918e-01 4.82 -2.236075088e-01 -2.236075088e-01 4.84 -2.132163697e-01 -2.132163697e-01 4.86 -2.029935203e-01 -2.029935203e-01 4.88 -1.929439988e-01 -1.929439988e-01 4.90 -1.830781294e-01 -1.830781294e-01 4.92 -1.734112908e-01 -1.734112908e-01 4.94 -1.639634178e-01 -1.639634178e-01 4.96 -1.547582166e-01 -1.547582166e-01 4.98 -1.458221018e-01 -1.458221018e-01 5.00 -1.371828945e-01 -1.371828945e-01 5.02 -1.288683610e-01 -1.288683610e-01 5.04 -1.209046911e-01 -1.209046911e-01 5.06 -1.133150407e-01 -1.133150407e-01 5.08 -1.061182579e-01 -1.061182579e-01 5.10 -9.932789695e-02 -9.932789695e-02 5.12 -9.295159282e-02 -9.295159282e-02 5.14 -8.699082815e-02 -8.699082815e-02 5.16 -8.144107918e-02 -8.144107918e-02 5.18 -7.629228830e-02 -7.629228830e-02 5.20 -7.152950454e-02 -7.152950454e-02 5.22 -6.713379523e-02 -6.713379523e-02 5.24 -6.308354963e-02 -6.308354963e-02 5.26 -5.935495694e-02 -5.935495694e-02 5.28 -5.592307715e-02 -5.592307715e-02 5.30 -5.276280155e-02 -5.276280155e-02 5.32 -4.984918872e-02 -4.984918872e-02 5.34 -4.715799797e-02 -4.715799797e-02 5.36 -4.466608260e-02 -4.466608260e-02 5.38 -4.235165648e-02 -4.235165648e-02 5.40 -4.019445556e-02 -4.019445556e-02 5.42 -3.817581671e-02 -3.817581671e-02 5.44 -3.627869522e-02 -3.627869522e-02 5.46 -3.448764010e-02 -3.448764010e-02 5.48 -3.278874329e-02 -3.278874329e-02 5.50 -3.116957610e-02 -3.116957610e-02 5.52 -2.961912278e-02 -2.961912278e-02 5.54 -2.812771888e-02 -2.812771888e-02 5.56 -2.668699855e-02 -2.668699855e-02 5.58 -2.528985275e-02 -2.528985275e-02 5.60 -2.393039933e-02 -2.393039933e-02 5.62 -2.260396129e-02 -2.260396129e-02 5.64 -2.130704928e-02 -2.130704928e-02 5.66 -2.003734185e-02 -2.003734185e-02 5.68 -1.879365596e-02 -1.879365596e-02 5.70 -1.757589983e-02 -1.757589983e-02 5.72 -1.638500002e-02 -1.638500002e-02 5.74 -1.522279700e-02 -1.522279700e-02 5.76 -1.409190514e-02 -1.409190514e-02 5.78 -1.299538476e-02 -1.299538476e-02 5.80 -1.193677712e-02 -1.193677712e-02 5.82 -1.091994884e-02 -1.091994884e-02 5.84 -9.948692811e-03 -9.948692811e-03 5.86 -9.026502620e-03 -9.026502620e-03 5.88 -8.156371742e-03 -8.156371742e-03 5.90 -7.340631499e-03 -7.340631499e-03 5.92 -6.580837986e-03 -6.580837986e-03 5.94 -5.877712954e-03 -5.877712954e-03 5.96 -5.231138171e-03 -5.231138171e-03 5.98 -4.640197805e-03 -4.640197805e-03 6.00 -4.103259658e-03 -4.103259658e-03