# 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 = Al2CuZr # 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 1.400395959e+02 1.400395959e+02 1.30 1.301012930e+02 1.301012930e+02 1.32 1.208801010e+02 1.208801010e+02 1.34 1.123215809e+02 1.123215809e+02 1.36 1.043737296e+02 1.043737296e+02 1.38 9.698885479e+01 9.698885479e+01 1.40 9.012410430e+01 9.012410430e+01 1.42 8.374027044e+01 8.374027044e+01 1.44 7.780003760e+01 7.780003760e+01 1.46 7.226705000e+01 7.226705000e+01 1.48 6.710664199e+01 6.710664199e+01 1.50 6.228769300e+01 6.228769300e+01 1.52 5.778399835e+01 5.778399835e+01 1.54 5.357394541e+01 5.357394541e+01 1.56 4.963908649e+01 4.963908649e+01 1.58 4.596271154e+01 4.596271154e+01 1.60 4.252899789e+01 4.252899789e+01 1.62 3.932258221e+01 3.932258221e+01 1.64 3.632836414e+01 3.632836414e+01 1.66 3.353144782e+01 3.353144782e+01 1.68 3.091736076e+01 3.091736076e+01 1.70 2.847265604e+01 2.847265604e+01 1.72 2.618567898e+01 2.618567898e+01 1.74 2.404568011e+01 2.404568011e+01 1.76 2.204290948e+01 2.204290948e+01 1.78 2.016836384e+01 2.016836384e+01 1.80 1.841403206e+01 1.841403206e+01 1.82 1.677483063e+01 1.677483063e+01 1.84 1.524365682e+01 1.524365682e+01 1.86 1.381340677e+01 1.381340677e+01 1.88 1.247755892e+01 1.247755892e+01 1.90 1.123011944e+01 1.123011944e+01 1.92 1.006549886e+01 1.006549886e+01 1.94 8.978354205e+00 8.978354205e+00 1.96 7.963503565e+00 7.963503565e+00 1.98 7.015958982e+00 7.015958982e+00 2.00 6.131057373e+00 6.131057373e+00 2.02 5.304605383e+00 5.304605383e+00 2.04 4.532956703e+00 4.532956703e+00 2.06 3.812969286e+00 3.812969286e+00 2.08 3.141853376e+00 3.141853376e+00 2.10 2.517002313e+00 2.517002313e+00 2.12 1.935854397e+00 1.935854397e+00 2.14 1.395836128e+00 1.395836128e+00 2.16 8.943744338e-01 8.943744338e-01 2.18 4.289367546e-01 4.289367546e-01 2.20 -2.915521504e-03 -2.915521504e-03 2.22 -4.034967073e-01 -4.034967073e-01 2.24 -7.749707972e-01 -7.749707972e-01 2.26 -1.119329315e+00 -1.119329315e+00 2.28 -1.438385346e+00 -1.438385346e+00 2.30 -1.733746401e+00 -1.733746401e+00 2.32 -2.006836518e+00 -2.006836518e+00 2.34 -2.258899695e+00 -2.258899695e+00 2.36 -2.491031549e+00 -2.491031549e+00 2.38 -2.704207979e+00 -2.704207979e+00 2.40 -2.899319728e+00 -2.899319728e+00 2.42 -3.077213560e+00 -3.077213560e+00 2.44 -3.238723336e+00 -3.238723336e+00 2.46 -3.384700648e+00 -3.384700648e+00 2.48 -3.516041525e+00 -3.516041525e+00 2.50 -3.633714637e+00 -3.633714637e+00 2.52 -3.738614298e+00 -3.738614298e+00 2.54 -3.831660951e+00 -3.831660951e+00 2.56 -3.913816206e+00 -3.913816206e+00 2.58 -3.986078885e+00 -3.986078885e+00 2.60 -4.049470954e+00 -4.049470954e+00 2.62 -4.105006598e+00 -4.105006598e+00 2.64 -4.153643451e+00 -4.153643451e+00 2.66 -4.196120806e+00 -4.196120806e+00 2.68 -4.233008475e+00 -4.233008475e+00 2.70 -4.264777585e+00 -4.264777585e+00 2.72 -4.291796615e+00 -4.291796615e+00 2.74 -4.314339348e+00 -4.314339348e+00 2.76 -4.332599710e+00 -4.332599710e+00 2.78 -4.346706207e+00 -4.346706207e+00 2.80 -4.356744970e+00 -4.356744970e+00 2.82 -4.362761815e+00 -4.362761815e+00 2.84 -4.364787607e+00 -4.364787607e+00 2.86 -4.362988279e+00 -4.362988279e+00 2.88 -4.357372939e+00 -4.357372939e+00 2.90 -4.347866269e+00 -4.347866269e+00 2.92 -4.334451600e+00 -4.334451600e+00 2.94 -4.317947611e+00 -4.317947611e+00 2.96 -4.298882804e+00 -4.298882804e+00 2.98 -4.277021982e+00 -4.277021982e+00 3.00 -4.252233124e+00 -4.252233124e+00 3.02 -4.224476312e+00 -4.224476312e+00 3.04 -4.193789978e+00 -4.193789978e+00 3.06 -4.160290524e+00 -4.160290524e+00 3.08 -4.124148744e+00 -4.124148744e+00 3.10 -4.085571334e+00 -4.085571334e+00 3.12 -4.044784259e+00 -4.044784259e+00 3.14 -4.002035356e+00 -4.002035356e+00 3.16 -3.957549946e+00 -3.957549946e+00 3.18 -3.911527314e+00 -3.911527314e+00 3.20 -3.864136763e+00 -3.864136763e+00 3.22 -3.815519901e+00 -3.815519901e+00 3.24 -3.765796044e+00 -3.765796044e+00 3.26 -3.715069254e+00 -3.715069254e+00 3.28 -3.663435380e+00 -3.663435380e+00 3.30 -3.610987576e+00 -3.610987576e+00 3.32 -3.557819201e+00 -3.557819201e+00 3.34 -3.504023897e+00 -3.504023897e+00 3.36 -3.449693524e+00 -3.449693524e+00 3.38 -3.394915302e+00 -3.394915302e+00 3.40 -3.339768544e+00 -3.339768544e+00 3.42 -3.284327862e+00 -3.284327862e+00 3.44 -3.228657275e+00 -3.228657275e+00 3.46 -3.172816480e+00 -3.172816480e+00 3.48 -3.116861530e+00 -3.116861530e+00 3.50 -3.060846415e+00 -3.060846415e+00 3.52 -3.004823956e+00 -3.004823956e+00 3.54 -2.948845960e+00 -2.948845960e+00 3.56 -2.892962777e+00 -2.892962777e+00 3.58 -2.837222523e+00 -2.837222523e+00 3.60 -2.781670213e+00 -2.781670213e+00 3.62 -2.726347045e+00 -2.726347045e+00 3.64 -2.671289978e+00 -2.671289978e+00 3.66 -2.616531745e+00 -2.616531745e+00 3.68 -2.562101329e+00 -2.562101329e+00 3.70 -2.508024934e+00 -2.508024934e+00 3.72 -2.454327398e+00 -2.454327398e+00 3.74 -2.401033927e+00 -2.401033927e+00 3.76 -2.348171973e+00 -2.348171973e+00 3.78 -2.295772965e+00 -2.295772965e+00 3.80 -2.243873577e+00 -2.243873577e+00 3.82 -2.192516149e+00 -2.192516149e+00 3.84 -2.141747975e+00 -2.141747975e+00 3.86 -2.091619298e+00 -2.091619298e+00 3.88 -2.042180129e+00 -2.042180129e+00 3.90 -1.993476258e+00 -1.993476258e+00 3.92 -1.945543873e+00 -1.945543873e+00 3.94 -1.898411125e+00 -1.898411125e+00 3.96 -1.852087538e+00 -1.852087538e+00 3.98 -1.806568939e+00 -1.806568939e+00 4.00 -1.761836667e+00 -1.761836667e+00 4.02 -1.717859659e+00 -1.717859659e+00 4.04 -1.674597416e+00 -1.674597416e+00 4.06 -1.632003367e+00 -1.632003367e+00 4.08 -1.590028230e+00 -1.590028230e+00 4.10 -1.548619187e+00 -1.548619187e+00 4.12 -1.507739218e+00 -1.507739218e+00 4.14 -1.467343424e+00 -1.467343424e+00 4.16 -1.427399532e+00 -1.427399532e+00 4.18 -1.387884884e+00 -1.387884884e+00 4.20 -1.348788033e+00 -1.348788033e+00 4.22 -1.310109992e+00 -1.310109992e+00 4.24 -1.271865018e+00 -1.271865018e+00 4.26 -1.234080761e+00 -1.234080761e+00 4.28 -1.196797633e+00 -1.196797633e+00 4.30 -1.160067296e+00 -1.160067296e+00 4.32 -1.123950273e+00 -1.123950273e+00 4.34 -1.088512784e+00 -1.088512784e+00 4.36 -1.053823061e+00 -1.053823061e+00 4.38 -1.019947425e+00 -1.019947425e+00 4.40 -9.869464998e-01 -9.869464998e-01 4.42 -9.548718559e-01 -9.548718559e-01 4.44 -9.237633468e-01 -9.237633468e-01 4.46 -8.936472703e-01 -8.936472703e-01 4.48 -8.645354008e-01 -8.645354008e-01 4.50 -8.364248483e-01 -8.364248483e-01 4.52 -8.092986411e-01 -8.092986411e-01 4.54 -7.831268937e-01 -7.831268937e-01 4.56 -7.578684125e-01 -7.578684125e-01 4.58 -7.334725874e-01 -7.334725874e-01 4.60 -7.098814363e-01 -7.098814363e-01 4.62 -6.870316863e-01 -6.870316863e-01 4.64 -6.648568018e-01 -6.648568018e-01 4.66 -6.432889018e-01 -6.432889018e-01 4.68 -6.222605333e-01 -6.222605333e-01 4.70 -6.017062968e-01 -6.017062968e-01 4.72 -5.815643354e-01 -5.815643354e-01 4.74 -5.617777111e-01 -5.617777111e-01 4.76 -5.422956910e-01 -5.422956910e-01 4.78 -5.230749552e-01 -5.230749552e-01 4.80 -5.040776769e-01 -5.040776769e-01 4.82 -4.852852548e-01 -4.852852548e-01 4.84 -4.666792515e-01 -4.666792515e-01 4.86 -4.482559587e-01 -4.482559587e-01 4.88 -4.300230365e-01 -4.300230365e-01 4.90 -4.119994066e-01 -4.119994066e-01 4.92 -3.942146421e-01 -3.942146421e-01 4.94 -3.767077988e-01 -3.767077988e-01 4.96 -3.595256801e-01 -3.595256801e-01 4.98 -3.427205877e-01 -3.427205877e-01 5.00 -3.263476743e-01 -3.263476743e-01 5.02 -3.104620735e-01 -3.104620735e-01 5.04 -2.951160204e-01 -2.951160204e-01 5.06 -2.803561901e-01 -2.803561901e-01 5.08 -2.662214589e-01 -2.662214589e-01 5.10 -2.527412502e-01 -2.527412502e-01 5.12 -2.399345540e-01 -2.399345540e-01 5.14 -2.278096401e-01 -2.278096401e-01 5.16 -2.163644113e-01 -2.163644113e-01 5.18 -2.055872910e-01 -2.055872910e-01 5.20 -1.954585074e-01 -1.954585074e-01 5.22 -1.859516238e-01 -1.859516238e-01 5.24 -1.770351742e-01 -1.770351742e-01 5.26 -1.686742840e-01 -1.686742840e-01 5.28 -1.608321838e-01 -1.608321838e-01 5.30 -1.534715505e-01 -1.534715505e-01 5.32 -1.465556432e-01 -1.465556432e-01 5.34 -1.400492153e-01 -1.400492153e-01 5.36 -1.339191995e-01 -1.339191995e-01 5.38 -1.281349872e-01 -1.281349872e-01 5.40 -1.226691355e-01 -1.226691355e-01 5.42 -1.174973400e-01 -1.174973400e-01 5.44 -1.125981887e-01 -1.125981887e-01 5.46 -1.079530037e-01 -1.079530037e-01 5.48 -1.035455674e-01 -1.035455674e-01 5.50 -9.936177052e-02 -9.936177052e-02 5.52 -9.538921623e-02 -9.538921623e-02 5.54 -9.161681418e-02 -9.161681418e-02 5.56 -8.803439890e-02 -8.803439890e-02 5.58 -8.463239610e-02 -8.463239610e-02 5.60 -8.140155557e-02 -8.140155557e-02 5.62 -7.833274498e-02 -7.833274498e-02 5.64 -7.541672879e-02 -7.541672879e-02 5.66 -7.264443000e-02 -7.264443000e-02 5.68 -7.000676126e-02 -7.000676126e-02 5.70 -6.749461585e-02 -6.749461585e-02 5.72 -6.509894529e-02 -6.509894529e-02 5.74 -6.281084348e-02 -6.281084348e-02 5.76 -6.062162676e-02 -6.062162676e-02 5.78 -5.852290282e-02 -5.852290282e-02 5.80 -5.650662436e-02 -5.650662436e-02 5.82 -5.456512670e-02 -5.456512670e-02 5.84 -5.269115009e-02 -5.269115009e-02 5.86 -5.087784925e-02 -5.087784925e-02 5.88 -4.911879313e-02 -4.911879313e-02 5.90 -4.740795848e-02 -4.740795848e-02 5.92 -4.573972037e-02 -4.573972037e-02 5.94 -4.410884302e-02 -4.410884302e-02 5.96 -4.251047340e-02 -4.251047340e-02 5.98 -4.094013995e-02 -4.094013995e-02 6.00 -3.939375965e-02 -3.939375965e-02