# 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 = Al2AuPb # 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 2.211858116e+02 2.211858116e+02 1.30 2.064162305e+02 2.064162305e+02 1.32 1.926673262e+02 1.926673262e+02 1.34 1.798594224e+02 1.798594224e+02 1.36 1.679196069e+02 1.679196069e+02 1.38 1.567796889e+02 1.567796889e+02 1.40 1.463761554e+02 1.463761554e+02 1.42 1.366514228e+02 1.366514228e+02 1.44 1.275550897e+02 1.275550897e+02 1.46 1.190442198e+02 1.190442198e+02 1.48 1.110819444e+02 1.110819444e+02 1.50 1.036346351e+02 1.036346351e+02 1.52 9.666927904e+01 9.666927904e+01 1.54 9.015258902e+01 9.015258902e+01 1.56 8.405163115e+01 8.405163115e+01 1.58 7.833489463e+01 7.833489463e+01 1.60 7.297313665e+01 7.297313665e+01 1.62 6.793998506e+01 6.793998506e+01 1.64 6.321231742e+01 6.321231742e+01 1.66 5.877569735e+01 5.877569735e+01 1.68 5.462286865e+01 5.462286865e+01 1.70 5.074216773e+01 5.074216773e+01 1.72 4.711684050e+01 4.711684050e+01 1.74 4.373265826e+01 4.373265826e+01 1.76 4.057330869e+01 4.057330869e+01 1.78 3.762234582e+01 3.762234582e+01 1.80 3.486435009e+01 3.486435009e+01 1.82 3.228509770e+01 3.228509770e+01 1.84 2.987162252e+01 2.987162252e+01 1.86 2.761219546e+01 2.761219546e+01 1.88 2.549625403e+01 2.549625403e+01 1.90 2.351429615e+01 2.351429615e+01 1.92 2.165776708e+01 2.165776708e+01 1.94 1.991897056e+01 1.991897056e+01 1.96 1.829098140e+01 1.829098140e+01 1.98 1.676753440e+01 1.676753440e+01 2.00 1.534285885e+01 1.534285885e+01 2.02 1.401148163e+01 1.401148163e+01 2.04 1.276806117e+01 1.276806117e+01 2.06 1.160731049e+01 1.160731049e+01 2.08 1.052401516e+01 1.052401516e+01 2.10 9.513101270e+00 9.513101270e+00 2.12 8.569711886e+00 8.569711886e+00 2.14 7.689259669e+00 7.689259669e+00 2.16 6.867455378e+00 6.867455378e+00 2.18 6.100319390e+00 6.100319390e+00 2.20 5.384181749e+00 5.384181749e+00 2.22 4.715677854e+00 4.715677854e+00 2.24 4.091736554e+00 4.091736554e+00 2.26 3.509561057e+00 3.509561057e+00 2.28 2.966604264e+00 2.966604264e+00 2.30 2.460540381e+00 2.460540381e+00 2.32 1.989235896e+00 1.989235896e+00 2.34 1.550725439e+00 1.550725439e+00 2.36 1.143185103e+00 1.143185103e+00 2.38 7.649092445e-01 7.649092445e-01 2.40 4.142881054e-01 4.142881054e-01 2.42 8.978803320e-02 8.978803320e-02 2.44 -2.100645583e-01 -2.100645583e-01 2.46 -4.866932483e-01 -4.866932483e-01 2.48 -7.414757600e-01 -7.414757600e-01 2.50 -9.757429122e-01 -9.757429122e-01 2.52 -1.190775276e+00 -1.190775276e+00 2.54 -1.387801727e+00 -1.387801727e+00 2.56 -1.568003465e+00 -1.568003465e+00 2.58 -1.732523729e+00 -1.732523729e+00 2.60 -1.882478606e+00 -1.882478606e+00 2.62 -2.018961049e+00 -2.018961049e+00 2.64 -2.143034406e+00 -2.143034406e+00 2.66 -2.255710086e+00 -2.255710086e+00 2.68 -2.357923926e+00 -2.357923926e+00 2.70 -2.450521029e+00 -2.450521029e+00 2.72 -2.534296447e+00 -2.534296447e+00 2.74 -2.609836038e+00 -2.609836038e+00 2.76 -2.677619733e+00 -2.677619733e+00 2.78 -2.738285931e+00 -2.738285931e+00 2.80 -2.793255456e+00 -2.793255456e+00 2.82 -2.842610413e+00 -2.842610413e+00 2.84 -2.886266889e+00 -2.886266889e+00 2.86 -2.924187233e+00 -2.924187233e+00 2.88 -2.956372950e+00 -2.956372950e+00 2.90 -2.982858577e+00 -2.982858577e+00 2.92 -3.003707481e+00 -3.003707481e+00 2.94 -3.019016529e+00 -3.019016529e+00 2.96 -3.028923461e+00 -3.028923461e+00 2.98 -3.033631258e+00 -3.033631258e+00 3.00 -3.033403590e+00 -3.033403590e+00 3.02 -3.028555922e+00 -3.028555922e+00 3.04 -3.019455041e+00 -3.019455041e+00 3.06 -3.006513735e+00 -3.006513735e+00 3.08 -2.990172426e+00 -2.990172426e+00 3.10 -2.970880334e+00 -2.970880334e+00 3.12 -2.949071165e+00 -2.949071165e+00 3.14 -2.925144455e+00 -2.925144455e+00 3.16 -2.899447673e+00 -2.899447673e+00 3.18 -2.872271661e+00 -2.872271661e+00 3.20 -2.843850209e+00 -2.843850209e+00 3.22 -2.814365339e+00 -2.814365339e+00 3.24 -2.783956930e+00 -2.783956930e+00 3.26 -2.752751216e+00 -2.752751216e+00 3.28 -2.720815747e+00 -2.720815747e+00 3.30 -2.688189737e+00 -2.688189737e+00 3.32 -2.654902703e+00 -2.654902703e+00 3.34 -2.620979210e+00 -2.620979210e+00 3.36 -2.586442717e+00 -2.586442717e+00 3.38 -2.551318563e+00 -2.551318563e+00 3.40 -2.515636009e+00 -2.515636009e+00 3.42 -2.479430125e+00 -2.479430125e+00 3.44 -2.442741592e+00 -2.442741592e+00 3.46 -2.405616333e+00 -2.405616333e+00 3.48 -2.368101596e+00 -2.368101596e+00 3.50 -2.330248443e+00 -2.330248443e+00 3.52 -2.292112176e+00 -2.292112176e+00 3.54 -2.253750765e+00 -2.253750765e+00 3.56 -2.215223389e+00 -2.215223389e+00 3.58 -2.176589105e+00 -2.176589105e+00 3.60 -2.137905743e+00 -2.137905743e+00 3.62 -2.099229031e+00 -2.099229031e+00 3.64 -2.060611936e+00 -2.060611936e+00 3.66 -2.022104186e+00 -2.022104186e+00 3.68 -1.983751896e+00 -1.983751896e+00 3.70 -1.945597220e+00 -1.945597220e+00 3.72 -1.907677981e+00 -1.907677981e+00 3.74 -1.870027243e+00 -1.870027243e+00 3.76 -1.832672846e+00 -1.832672846e+00 3.78 -1.795636969e+00 -1.795636969e+00 3.80 -1.758935794e+00 -1.758935794e+00 3.82 -1.722579385e+00 -1.722579385e+00 3.84 -1.686571825e+00 -1.686571825e+00 3.86 -1.650911653e+00 -1.650911653e+00 3.88 -1.615592556e+00 -1.615592556e+00 3.90 -1.580604240e+00 -1.580604240e+00 3.92 -1.545933056e+00 -1.545933056e+00 3.94 -1.511564299e+00 -1.511564299e+00 3.96 -1.477480873e+00 -1.477480873e+00 3.98 -1.443665497e+00 -1.443665497e+00 4.00 -1.410100820e+00 -1.410100820e+00 4.02 -1.376769851e+00 -1.376769851e+00 4.04 -1.343656316e+00 -1.343656316e+00 4.06 -1.310745074e+00 -1.310745074e+00 4.08 -1.278022644e+00 -1.278022644e+00 4.10 -1.245476899e+00 -1.245476899e+00 4.12 -1.213102420e+00 -1.213102420e+00 4.14 -1.180894882e+00 -1.180894882e+00 4.16 -1.148857341e+00 -1.148857341e+00 4.18 -1.117000540e+00 -1.117000540e+00 4.20 -1.085344431e+00 -1.085344431e+00 4.22 -1.053919418e+00 -1.053919418e+00 4.24 -1.022767048e+00 -1.022767048e+00 4.26 -9.919399155e-01 -9.919399155e-01 4.28 -9.615005644e-01 -9.615005644e-01 4.30 -9.315193135e-01 -9.315193135e-01 4.32 -9.020710531e-01 -9.020710531e-01 4.34 -8.732312520e-01 -8.732312520e-01 4.36 -8.450715498e-01 -8.450715498e-01 4.38 -8.176554097e-01 -8.176554097e-01 4.40 -7.910343085e-01 -7.910343085e-01 4.42 -7.652448664e-01 -7.652448664e-01 4.44 -7.403071627e-01 -7.403071627e-01 4.46 -7.162243041e-01 -7.162243041e-01 4.48 -6.929831400e-01 -6.929831400e-01 4.50 -6.705558879e-01 -6.705558879e-01 4.52 -6.489023692e-01 -6.489023692e-01 4.54 -6.279725458e-01 -6.279725458e-01 4.56 -6.077090962e-01 -6.077090962e-01 4.58 -5.880498334e-01 -5.880498334e-01 4.60 -5.689298491e-01 -5.689298491e-01 4.62 -5.502833380e-01 -5.502833380e-01 4.64 -5.320451125e-01 -5.320451125e-01 4.66 -5.141518578e-01 -5.141518578e-01 4.68 -4.965431954e-01 -4.965431954e-01 4.70 -4.791626341e-01 -4.791626341e-01 4.72 -4.619584767e-01 -4.619584767e-01 4.74 -4.448847436e-01 -4.448847436e-01 4.76 -4.279021471e-01 -4.279021471e-01 4.78 -4.109791297e-01 -4.109791297e-01 4.80 -3.940922333e-01 -3.940922333e-01 4.82 -3.772301458e-01 -3.772301458e-01 4.84 -3.603900579e-01 -3.603900579e-01 4.86 -3.435816867e-01 -3.435816867e-01 4.88 -3.268269045e-01 -3.268269045e-01 4.90 -3.101597557e-01 -3.101597557e-01 4.92 -2.936259010e-01 -2.936259010e-01 4.94 -2.772814039e-01 -2.772814039e-01 4.96 -2.611908367e-01 -2.611908367e-01 4.98 -2.454247547e-01 -2.454247547e-01 5.00 -2.300566694e-01 -2.300566694e-01 5.02 -2.151597240e-01 -2.151597240e-01 5.04 -2.008033254e-01 -2.008033254e-01 5.06 -1.870500072e-01 -1.870500072e-01 5.08 -1.739527758e-01 -1.739527758e-01 5.10 -1.615531386e-01 -1.615531386e-01 5.12 -1.498799305e-01 -1.498799305e-01 5.14 -1.389489637e-01 -1.389489637e-01 5.16 -1.287634400e-01 -1.287634400e-01 5.18 -1.193149959e-01 -1.193149959e-01 5.20 -1.105852100e-01 -1.105852100e-01 5.22 -1.025473874e-01 -1.025473874e-01 5.24 -9.516844060e-02 -9.516844060e-02 5.26 -8.841073795e-02 -8.841073795e-02 5.28 -8.223379436e-02 -8.223379436e-02 5.30 -7.659573085e-02 -7.659573085e-02 5.32 -7.145447772e-02 -7.145447772e-02 5.34 -6.676872038e-02 -6.676872038e-02 5.36 -6.249859358e-02 -6.249859358e-02 5.38 -5.860561646e-02 -5.860561646e-02 5.40 -5.505421977e-02 -5.505421977e-02 5.42 -5.181157708e-02 -5.181157708e-02 5.44 -4.884711070e-02 -4.884711070e-02 5.46 -4.613241979e-02 -4.613241979e-02 5.48 -4.364170369e-02 -4.364170369e-02 5.50 -4.135144059e-02 -4.135144059e-02 5.52 -3.924021109e-02 -3.924021109e-02 5.54 -3.728859185e-02 -3.728859185e-02 5.56 -3.547903136e-02 -3.547903136e-02 5.58 -3.379571684e-02 -3.379571684e-02 5.60 -3.222443849e-02 -3.222443849e-02 5.62 -3.075245604e-02 -3.075245604e-02 5.64 -2.936836840e-02 -2.936836840e-02 5.66 -2.806199197e-02 -2.806199197e-02 5.68 -2.682424743e-02 -2.682424743e-02 5.70 -2.564705585e-02 -2.564705585e-02 5.72 -2.452324491e-02 -2.452324491e-02 5.74 -2.344646579e-02 -2.344646579e-02 5.76 -2.241112045e-02 -2.241112045e-02 5.78 -2.141229926e-02 -2.141229926e-02 5.80 -2.044572825e-02 -2.044572825e-02 5.82 -1.950772536e-02 -1.950772536e-02 5.84 -1.859516451e-02 -1.859516451e-02 5.86 -1.770544631e-02 -1.770544631e-02 5.88 -1.683647372e-02 -1.683647372e-02 5.90 -1.598663117e-02 -1.598663117e-02 5.92 -1.515476491e-02 -1.515476491e-02 5.94 -1.434014850e-02 -1.434014850e-02 5.96 -1.354239077e-02 -1.354239077e-02 5.98 -1.276159466e-02 -1.276159466e-02 6.00 -1.199824309e-02 -1.199824309e-02