# 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 = AlNi2Zr # 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 1.484202301e+02 1.484202301e+02 1.30 1.372222992e+02 1.372222992e+02 1.32 1.268546647e+02 1.268546647e+02 1.34 1.172483211e+02 1.172483211e+02 1.36 1.083427574e+02 1.083427574e+02 1.38 1.000857874e+02 1.000857874e+02 1.40 9.243149334e+01 9.243149334e+01 1.42 8.533747540e+01 8.533747540e+01 1.44 7.876264040e+01 7.876264040e+01 1.46 7.266654153e+01 7.266654153e+01 1.48 6.701041156e+01 6.701041156e+01 1.50 6.175876695e+01 6.175876695e+01 1.52 5.688023467e+01 5.688023467e+01 1.54 5.234719006e+01 5.234719006e+01 1.56 4.813474504e+01 4.813474504e+01 1.58 4.421991506e+01 4.421991506e+01 1.60 4.058122351e+01 4.058122351e+01 1.62 3.719862708e+01 3.719862708e+01 1.64 3.405348469e+01 3.405348469e+01 1.66 3.112842354e+01 3.112842354e+01 1.68 2.840717188e+01 2.840717188e+01 1.70 2.587453618e+01 2.587453618e+01 1.72 2.351644863e+01 2.351644863e+01 1.74 2.132032503e+01 2.132032503e+01 1.76 1.927480229e+01 1.927480229e+01 1.78 1.736931836e+01 1.736931836e+01 1.80 1.559467284e+01 1.559467284e+01 1.82 1.394423456e+01 1.394423456e+01 1.84 1.241097248e+01 1.241097248e+01 1.86 1.098799168e+01 1.098799168e+01 1.88 9.668726230e+00 9.668726230e+00 1.90 8.446768845e+00 8.446768845e+00 1.92 7.315757067e+00 7.315757067e+00 1.94 6.269359073e+00 6.269359073e+00 1.96 5.301314669e+00 5.301314669e+00 1.98 4.405589041e+00 4.405589041e+00 2.00 3.576561457e+00 3.576561457e+00 2.02 2.809164132e+00 2.809164132e+00 2.04 2.098926603e+00 2.098926603e+00 2.06 1.441920534e+00 1.441920534e+00 2.08 8.346418977e-01 8.346418977e-01 2.10 2.738837540e-01 2.738837540e-01 2.12 -2.433439537e-01 -2.433439537e-01 2.14 -7.198558856e-01 -7.198558856e-01 2.16 -1.158290854e+00 -1.158290854e+00 2.18 -1.561118430e+00 -1.561118430e+00 2.20 -1.930654324e+00 -1.930654324e+00 2.22 -2.269099447e+00 -2.269099447e+00 2.24 -2.578563344e+00 -2.578563344e+00 2.26 -2.861063866e+00 -2.861063866e+00 2.28 -3.118511413e+00 -3.118511413e+00 2.30 -3.352677032e+00 -3.352677032e+00 2.32 -3.565200494e+00 -3.565200494e+00 2.34 -3.757574503e+00 -3.757574503e+00 2.36 -3.931170221e+00 -3.931170221e+00 2.38 -4.087240352e+00 -4.087240352e+00 2.40 -4.226924295e+00 -4.226924295e+00 2.42 -4.351263755e+00 -4.351263755e+00 2.44 -4.461221520e+00 -4.461221520e+00 2.46 -4.557720188e+00 -4.557720188e+00 2.48 -4.641724675e+00 -4.641724675e+00 2.50 -4.714082086e+00 -4.714082086e+00 2.52 -4.775615736e+00 -4.775615736e+00 2.54 -4.827156908e+00 -4.827156908e+00 2.56 -4.869527347e+00 -4.869527347e+00 2.58 -4.903523964e+00 -4.903523964e+00 2.60 -4.929907422e+00 -4.929907422e+00 2.62 -4.949384740e+00 -4.949384740e+00 2.64 -4.962515190e+00 -4.962515190e+00 2.66 -4.969739859e+00 -4.969739859e+00 2.68 -4.971479982e+00 -4.971479982e+00 2.70 -4.968133928e+00 -4.968133928e+00 2.72 -4.960081363e+00 -4.960081363e+00 2.74 -4.947683490e+00 -4.947683490e+00 2.76 -4.931287502e+00 -4.931287502e+00 2.78 -4.911219806e+00 -4.911219806e+00 2.80 -4.887784246e+00 -4.887784246e+00 2.82 -4.861240788e+00 -4.861240788e+00 2.84 -4.832097841e+00 -4.832097841e+00 2.86 -4.800990422e+00 -4.800990422e+00 2.88 -4.767831810e+00 -4.767831810e+00 2.90 -4.732495821e+00 -4.732495821e+00 2.92 -4.694769359e+00 -4.694769359e+00 2.94 -4.654481497e+00 -4.654481497e+00 2.96 -4.611527381e+00 -4.611527381e+00 2.98 -4.565863220e+00 -4.565863220e+00 3.00 -4.517503338e+00 -4.517503338e+00 3.02 -4.466527620e+00 -4.466527620e+00 3.04 -4.413068134e+00 -4.413068134e+00 3.06 -4.357300275e+00 -4.357300275e+00 3.08 -4.299423431e+00 -4.299423431e+00 3.10 -4.239659058e+00 -4.239659058e+00 3.12 -4.178236114e+00 -4.178236114e+00 3.14 -4.115389556e+00 -4.115389556e+00 3.16 -4.051339461e+00 -4.051339461e+00 3.18 -3.986295319e+00 -3.986295319e+00 3.20 -3.920451195e+00 -3.920451195e+00 3.22 -3.853985870e+00 -3.853985870e+00 3.24 -3.787064764e+00 -3.787064764e+00 3.26 -3.719842728e+00 -3.719842728e+00 3.28 -3.652466546e+00 -3.652466546e+00 3.30 -3.585075992e+00 -3.585075992e+00 3.32 -3.517802668e+00 -3.517802668e+00 3.34 -3.450766689e+00 -3.450766689e+00 3.36 -3.384072157e+00 -3.384072157e+00 3.38 -3.317802933e+00 -3.317802933e+00 3.40 -3.252019078e+00 -3.252019078e+00 3.42 -3.186761219e+00 -3.186761219e+00 3.44 -3.122045855e+00 -3.122045855e+00 3.46 -3.057874332e+00 -3.057874332e+00 3.48 -2.994236178e+00 -2.994236178e+00 3.50 -2.931113673e+00 -2.931113673e+00 3.52 -2.868485829e+00 -2.868485829e+00 3.54 -2.806331551e+00 -2.806331551e+00 3.56 -2.744631995e+00 -2.744631995e+00 3.58 -2.683372192e+00 -2.683372192e+00 3.60 -2.622542060e+00 -2.622542060e+00 3.62 -2.562136903e+00 -2.562136903e+00 3.64 -2.502157535e+00 -2.502157535e+00 3.66 -2.442610188e+00 -2.442610188e+00 3.68 -2.383506385e+00 -2.383506385e+00 3.70 -2.324862987e+00 -2.324862987e+00 3.72 -2.266702557e+00 -2.266702557e+00 3.74 -2.209054156e+00 -2.209054156e+00 3.76 -2.151954501e+00 -2.151954501e+00 3.78 -2.095449295e+00 -2.095449295e+00 3.80 -2.039594348e+00 -2.039594348e+00 3.82 -1.984455982e+00 -1.984455982e+00 3.84 -1.930110213e+00 -1.930110213e+00 3.86 -1.876640305e+00 -1.876640305e+00 3.88 -1.824132590e+00 -1.824132590e+00 3.90 -1.772670868e+00 -1.772670868e+00 3.92 -1.722328645e+00 -1.722328645e+00 3.94 -1.673169127e+00 -1.673169127e+00 3.96 -1.625230833e+00 -1.625230833e+00 3.98 -1.578531528e+00 -1.578531528e+00 4.00 -1.533065894e+00 -1.533065894e+00 4.02 -1.488807148e+00 -1.488807148e+00 4.04 -1.445710304e+00 -1.445710304e+00 4.06 -1.403716416e+00 -1.403716416e+00 4.08 -1.362757181e+00 -1.362757181e+00 4.10 -1.322755471e+00 -1.322755471e+00 4.12 -1.283645752e+00 -1.283645752e+00 4.14 -1.245351612e+00 -1.245351612e+00 4.16 -1.207806820e+00 -1.207806820e+00 4.18 -1.170952751e+00 -1.170952751e+00 4.20 -1.134740168e+00 -1.134740168e+00 4.22 -1.099130553e+00 -1.099130553e+00 4.24 -1.064096982e+00 -1.064096982e+00 4.26 -1.029624555e+00 -1.029624555e+00 4.28 -9.957103262e-01 -9.957103262e-01 4.30 -9.623627616e-01 -9.623627616e-01 4.32 -9.296007243e-01 -9.296007243e-01 4.34 -8.974520789e-01 -8.974520789e-01 4.36 -8.659520046e-01 -8.659520046e-01 4.38 -8.351411345e-01 -8.351411345e-01 4.40 -8.050636102e-01 -8.050636102e-01 4.42 -7.757651081e-01 -7.757651081e-01 4.44 -7.472908482e-01 -7.472908482e-01 4.46 -7.196835736e-01 -7.196835736e-01 4.48 -6.929815001e-01 -6.929815001e-01 4.50 -6.672162783e-01 -6.672162783e-01 4.52 -6.424110710e-01 -6.424110710e-01 4.54 -6.185789041e-01 -6.185789041e-01 4.56 -5.957214723e-01 -5.957214723e-01 4.58 -5.738285549e-01 -5.738285549e-01 4.60 -5.528781335e-01 -5.528781335e-01 4.62 -5.328372152e-01 -5.328372152e-01 4.64 -5.136632706e-01 -5.136632706e-01 4.66 -4.953061337e-01 -4.953061337e-01 4.68 -4.777101751e-01 -4.777101751e-01 4.70 -4.608165605e-01 -4.608165605e-01 4.72 -4.445654382e-01 -4.445654382e-01 4.74 -4.288979439e-01 -4.288979439e-01 4.76 -4.137579534e-01 -4.137579534e-01 4.78 -3.990933122e-01 -3.990933122e-01 4.80 -3.848543592e-01 -3.848543592e-01 4.82 -3.710080064e-01 -3.710080064e-01 4.84 -3.575172731e-01 -3.575172731e-01 4.86 -3.443562888e-01 -3.443562888e-01 4.88 -3.315066186e-01 -3.315066186e-01 4.90 -3.189571388e-01 -3.189571388e-01 4.92 -3.067036217e-01 -3.067036217e-01 4.94 -2.947480320e-01 -2.947480320e-01 4.96 -2.830975508e-01 -2.830975508e-01 4.98 -2.717633632e-01 -2.717633632e-01 5.00 -2.607592750e-01 -2.607592750e-01 5.02 -2.501002403e-01 -2.501002403e-01 5.04 -2.398009038e-01 -2.398009038e-01 5.06 -2.298742594e-01 -2.298742594e-01 5.08 -2.203305198e-01 -2.203305198e-01 5.10 -2.111762688e-01 -2.111762688e-01 5.12 -2.024139368e-01 -2.024139368e-01 5.14 -1.940416061e-01 -1.940416061e-01 5.16 -1.860531215e-01 -1.860531215e-01 5.18 -1.784384582e-01 -1.784384582e-01 5.20 -1.711842831e-01 -1.711842831e-01 5.22 -1.642746418e-01 -1.642746418e-01 5.24 -1.576917075e-01 -1.576917075e-01 5.26 -1.514165340e-01 -1.514165340e-01 5.28 -1.454297723e-01 -1.454297723e-01 5.30 -1.397123154e-01 -1.397123154e-01 5.32 -1.342458536e-01 -1.342458536e-01 5.34 -1.290133244e-01 -1.290133244e-01 5.36 -1.239992533e-01 -1.239992533e-01 5.38 -1.191899798e-01 -1.191899798e-01 5.40 -1.145737680e-01 -1.145737680e-01 5.42 -1.101408066e-01 -1.101408066e-01 5.44 -1.058831030e-01 -1.058831030e-01 5.46 -1.017942845e-01 -1.017942845e-01 5.48 -9.786931798e-02 -9.786931798e-02 5.50 -9.410417882e-02 -9.410417882e-02 5.52 -9.049549307e-02 -9.049549307e-02 5.54 -8.704017954e-02 -8.704017954e-02 5.56 -8.373512261e-02 -8.373512261e-02 5.58 -8.057689971e-02 -8.057689971e-02 5.60 -7.756145782e-02 -7.756145782e-02 5.62 -7.468417448e-02 -7.468417448e-02 5.64 -7.193994098e-02 -7.193994098e-02 5.66 -6.932296124e-02 -6.932296124e-02 5.68 -6.682683997e-02 -6.682683997e-02 5.70 -6.444470789e-02 -6.444470789e-02 5.72 -6.216936493e-02 -6.216936493e-02 5.74 -5.999342570e-02 -5.999342570e-02 5.76 -5.790945504e-02 -5.790945504e-02 5.78 -5.591008586e-02 -5.591008586e-02 5.80 -5.398811516e-02 -5.398811516e-02 5.82 -5.213657717e-02 -5.213657717e-02 5.84 -5.034879528e-02 -5.034879528e-02 5.86 -4.861841552e-02 -4.861841552e-02 5.88 -4.693942564e-02 -4.693942564e-02 5.90 -4.530616371e-02 -4.530616371e-02 5.92 -4.371332041e-02 -4.371332041e-02 5.94 -4.215593863e-02 -4.215593863e-02 5.96 -4.062941370e-02 -4.062941370e-02 5.98 -3.912949686e-02 -3.912949686e-02 6.00 -3.765230412e-02 -3.765230412e-02