# 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 = FePt2Ti # 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 3.375156454e+02 3.375156454e+02 1.30 3.138218761e+02 3.138218761e+02 1.32 2.917567223e+02 2.917567223e+02 1.34 2.712111304e+02 2.712111304e+02 1.36 2.520816683e+02 2.520816683e+02 1.38 2.342669151e+02 2.342669151e+02 1.40 2.176695530e+02 2.176695530e+02 1.42 2.021996241e+02 2.021996241e+02 1.44 1.877735274e+02 1.877735274e+02 1.46 1.743115978e+02 1.743115978e+02 1.48 1.617391487e+02 1.617391487e+02 1.50 1.499890261e+02 1.499890261e+02 1.52 1.390013825e+02 1.390013825e+02 1.54 1.287208278e+02 1.287208278e+02 1.56 1.190938387e+02 1.190938387e+02 1.58 1.100678759e+02 1.100678759e+02 1.60 1.015918912e+02 1.015918912e+02 1.62 9.361765360e+01 9.361765360e+01 1.64 8.610162698e+01 8.610162698e+01 1.66 7.900708753e+01 7.900708753e+01 1.68 7.230580556e+01 7.230580556e+01 1.70 6.597832967e+01 6.597832967e+01 1.72 6.001208353e+01 6.001208353e+01 1.74 5.439736960e+01 5.439736960e+01 1.76 4.912290075e+01 4.912290075e+01 1.78 4.417315159e+01 4.417315159e+01 1.80 3.960298837e+01 3.960298837e+01 1.82 3.543711013e+01 3.543711013e+01 1.84 3.163688476e+01 3.163688476e+01 1.86 2.816913457e+01 2.816913457e+01 1.88 2.500584396e+01 2.500584396e+01 1.90 2.212265576e+01 2.212265576e+01 1.92 1.949705365e+01 1.949705365e+01 1.94 1.710713108e+01 1.710713108e+01 1.96 1.493136587e+01 1.493136587e+01 1.98 1.294914912e+01 1.294914912e+01 2.00 1.114149593e+01 1.114149593e+01 2.02 9.491502258e+00 9.491502258e+00 2.04 7.984431813e+00 7.984431813e+00 2.06 6.607535946e+00 6.607535946e+00 2.08 5.349753583e+00 5.349753583e+00 2.10 4.201387281e+00 4.201387281e+00 2.12 3.153798429e+00 3.153798429e+00 2.14 2.199151196e+00 2.199151196e+00 2.16 1.330231724e+00 1.330231724e+00 2.18 5.403521215e-01 5.403521215e-01 2.20 -1.766801053e-01 -1.766801053e-01 2.22 -8.265625713e-01 -8.265625713e-01 2.24 -1.414496603e+00 -1.414496603e+00 2.26 -1.945196601e+00 -1.945196601e+00 2.28 -2.422913214e+00 -2.422913214e+00 2.30 -2.851470945e+00 -2.851470945e+00 2.32 -3.234321083e+00 -3.234321083e+00 2.34 -3.574604967e+00 -3.574604967e+00 2.36 -3.875219857e+00 -3.875219857e+00 2.38 -4.138881392e+00 -4.138881392e+00 2.40 -4.368180991e+00 -4.368180991e+00 2.42 -4.565637744e+00 -4.565637744e+00 2.44 -4.733741460e+00 -4.733741460e+00 2.46 -4.874982054e+00 -4.874982054e+00 2.48 -4.991861011e+00 -4.991861011e+00 2.50 -5.086882858e+00 -5.086882858e+00 2.52 -5.162524810e+00 -5.162524810e+00 2.54 -5.222030932e+00 -5.222030932e+00 2.56 -5.269586514e+00 -5.269586514e+00 2.58 -5.306557295e+00 -5.306557295e+00 2.60 -5.334007534e+00 -5.334007534e+00 2.62 -5.352802986e+00 -5.352802986e+00 2.64 -5.363620510e+00 -5.363620510e+00 2.66 -5.366970594e+00 -5.366970594e+00 2.68 -5.363133811e+00 -5.363133811e+00 2.70 -5.352311202e+00 -5.352311202e+00 2.72 -5.334665697e+00 -5.334665697e+00 2.74 -5.310344339e+00 -5.310344339e+00 2.76 -5.279490909e+00 -5.279490909e+00 2.78 -5.242252494e+00 -5.242252494e+00 2.80 -5.198780080e+00 -5.198780080e+00 2.82 -5.149175474e+00 -5.149175474e+00 2.84 -5.093527675e+00 -5.093527675e+00 2.86 -5.031984866e+00 -5.031984866e+00 2.88 -4.964772536e+00 -4.964772536e+00 2.90 -4.892203088e+00 -4.892203088e+00 2.92 -4.814691752e+00 -4.814691752e+00 2.94 -4.732765784e+00 -4.732765784e+00 2.96 -4.647059032e+00 -4.647059032e+00 2.98 -4.558290812e+00 -4.558290812e+00 3.00 -4.467228875e+00 -4.467228875e+00 3.02 -4.374640828e+00 -4.374640828e+00 3.04 -4.281242319e+00 -4.281242319e+00 3.06 -4.187652083e+00 -4.187652083e+00 3.08 -4.094337045e+00 -4.094337045e+00 3.10 -4.001582864e+00 -4.001582864e+00 3.12 -3.909554842e+00 -3.909554842e+00 3.14 -3.818326359e+00 -3.818326359e+00 3.16 -3.727907119e+00 -3.727907119e+00 3.18 -3.638272893e+00 -3.638272893e+00 3.20 -3.549390907e+00 -3.549390907e+00 3.22 -3.461238623e+00 -3.461238623e+00 3.24 -3.373815198e+00 -3.373815198e+00 3.26 -3.287146233e+00 -3.287146233e+00 3.28 -3.201283137e+00 -3.201283137e+00 3.30 -3.116298668e+00 -3.116298668e+00 3.32 -3.032323366e+00 -3.032323366e+00 3.34 -2.949624049e+00 -2.949624049e+00 3.36 -2.868447608e+00 -2.868447608e+00 3.38 -2.788985720e+00 -2.788985720e+00 3.40 -2.711378433e+00 -2.711378433e+00 3.42 -2.635719483e+00 -2.635719483e+00 3.44 -2.562062921e+00 -2.562062921e+00 3.46 -2.490430824e+00 -2.490430824e+00 3.48 -2.420821136e+00 -2.420821136e+00 3.50 -2.353214993e+00 -2.353214993e+00 3.52 -2.287582828e+00 -2.287582828e+00 3.54 -2.223888784e+00 -2.223888784e+00 3.56 -2.162093237e+00 -2.162093237e+00 3.58 -2.102153577e+00 -2.102153577e+00 3.60 -2.044023743e+00 -2.044023743e+00 3.62 -1.987653184e+00 -1.987653184e+00 3.64 -1.932985941e+00 -1.932985941e+00 3.66 -1.879960330e+00 -1.879960330e+00 3.68 -1.828509432e+00 -1.828509432e+00 3.70 -1.778562277e+00 -1.778562277e+00 3.72 -1.730045466e+00 -1.730045466e+00 3.74 -1.682884936e+00 -1.682884936e+00 3.76 -1.637007599e+00 -1.637007599e+00 3.78 -1.592342714e+00 -1.592342714e+00 3.80 -1.548822938e+00 -1.548822938e+00 3.82 -1.506385045e+00 -1.506385045e+00 3.84 -1.464970372e+00 -1.464970372e+00 3.86 -1.424525043e+00 -1.424525043e+00 3.88 -1.385000026e+00 -1.385000026e+00 3.90 -1.346351109e+00 -1.346351109e+00 3.92 -1.308538804e+00 -1.308538804e+00 3.94 -1.271528408e+00 -1.271528408e+00 3.96 -1.235289886e+00 -1.235289886e+00 3.98 -1.199798115e+00 -1.199798115e+00 4.00 -1.165033116e+00 -1.165033116e+00 4.02 -1.130980402e+00 -1.130980402e+00 4.04 -1.097631374e+00 -1.097631374e+00 4.06 -1.064983646e+00 -1.064983646e+00 4.08 -1.033041199e+00 -1.033041199e+00 4.10 -1.001814159e+00 -1.001814159e+00 4.12 -9.713183311e-01 -9.713183311e-01 4.14 -9.415737166e-01 -9.415737166e-01 4.16 -9.126029196e-01 -9.126029196e-01 4.18 -8.844287895e-01 -8.844287895e-01 4.20 -8.570717841e-01 -8.570717841e-01 4.22 -8.305472712e-01 -8.305472712e-01 4.24 -8.048630829e-01 -8.048630829e-01 4.26 -7.800176187e-01 -7.800176187e-01 4.28 -7.559987130e-01 -7.559987130e-01 4.30 -7.327833575e-01 -7.327833575e-01 4.32 -7.103382351e-01 -7.103382351e-01 4.34 -6.886209075e-01 -6.886209075e-01 4.36 -6.675814319e-01 -6.675814319e-01 4.38 -6.471641667e-01 -6.471641667e-01 4.40 -6.273095561e-01 -6.273095561e-01 4.42 -6.079557395e-01 -6.079557395e-01 4.44 -5.890399025e-01 -5.890399025e-01 4.46 -5.704993469e-01 -5.704993469e-01 4.48 -5.522723083e-01 -5.522723083e-01 4.50 -5.342985828e-01 -5.342985828e-01 4.52 -5.165200434e-01 -5.165200434e-01 4.54 -4.988811319e-01 -4.988811319e-01 4.56 -4.813294080e-01 -4.813294080e-01 4.58 -4.638162256e-01 -4.638162256e-01 4.60 -4.462975927e-01 -4.462975927e-01 4.62 -4.287352442e-01 -4.287352442e-01 4.64 -4.110979360e-01 -4.110979360e-01 4.66 -3.933629307e-01 -3.933629307e-01 4.68 -3.755176111e-01 -3.755176111e-01 4.70 -3.575611141e-01 -3.575611141e-01 4.72 -3.395058393e-01 -3.395058393e-01 4.74 -3.213786507e-01 -3.213786507e-01 4.76 -3.032215702e-01 -3.032215702e-01 4.78 -2.850917659e-01 -2.850917659e-01 4.80 -2.670606317e-01 -2.670606317e-01 4.82 -2.492121145e-01 -2.492121145e-01 4.84 -2.316396428e-01 -2.316396428e-01 4.86 -2.144426709e-01 -2.144426709e-01 4.88 -1.977223863e-01 -1.977223863e-01 4.90 -1.815771982e-01 -1.815771982e-01 4.92 -1.660983416e-01 -1.660983416e-01 4.94 -1.513659732e-01 -1.513659732e-01 4.96 -1.374460755e-01 -1.374460755e-01 4.98 -1.243883720e-01 -1.243883720e-01 5.00 -1.122253360e-01 -1.122253360e-01 5.02 -1.009722436e-01 -1.009722436e-01 5.04 -9.062812619e-02 -9.062812619e-02 5.06 -8.117741445e-02 -8.117741445e-02 5.08 -7.259204394e-02 -7.259204394e-02 5.10 -6.483380199e-02 -6.483380199e-02 5.12 -5.785672878e-02 -5.785672878e-02 5.14 -5.160942652e-02 -5.160942652e-02 5.16 -4.603717406e-02 -4.603717406e-02 5.18 -4.108378179e-02 -4.108378179e-02 5.20 -3.669315214e-02 -3.669315214e-02 5.22 -3.281054035e-02 -3.281054035e-02 5.24 -2.938351833e-02 -2.938351833e-02 5.26 -2.636260730e-02 -2.636260730e-02 5.28 -2.370165764e-02 -2.370165764e-02 5.30 -2.135843594e-02 -2.135843594e-02 5.32 -1.929448199e-02 -1.929448199e-02 5.34 -1.747552902e-02 -1.747552902e-02 5.36 -1.587074383e-02 -1.587074383e-02 5.38 -1.445259914e-02 -1.445259914e-02 5.40 -1.319668679e-02 -1.319668679e-02 5.42 -1.208148458e-02 -1.208148458e-02 5.44 -1.108810189e-02 -1.108810189e-02 5.46 -1.020002117e-02 -1.020002117e-02 5.48 -9.402847216e-03 -9.402847216e-03 5.50 -8.684071839e-03 -8.684071839e-03 5.52 -8.032857932e-03 -8.032857932e-03 5.54 -7.439843900e-03 -7.439843900e-03 5.56 -6.896974813e-03 -6.896974813e-03 5.58 -6.397350895e-03 -6.397350895e-03 5.60 -5.935095637e-03 -5.935095637e-03 5.62 -5.505242202e-03 -5.505242202e-03 5.64 -5.103634600e-03 -5.103634600e-03 5.66 -4.726840748e-03 -4.726840748e-03 5.68 -4.372074386e-03 -4.372074386e-03 5.70 -4.037122920e-03 -4.037122920e-03 5.72 -3.720278542e-03 -3.720278542e-03 5.74 -3.420270496e-03 -3.420270496e-03 5.76 -3.136205455e-03 -3.136205455e-03 5.78 -2.867939160e-03 -2.867939160e-03 5.80 -2.615191669e-03 -2.615191669e-03 5.82 -2.377535624e-03 -2.377535624e-03 5.84 -2.154670930e-03 -2.154670930e-03 5.86 -1.946370142e-03 -1.946370142e-03 5.88 -1.752429837e-03 -1.752429837e-03 5.90 -1.572629708e-03 -1.572629708e-03 5.92 -1.406700738e-03 -1.406700738e-03 5.94 -1.254303240e-03 -1.254303240e-03 5.96 -1.115014781e-03 -1.115014781e-03 5.98 -9.883273129e-04 -9.883273129e-04 6.00 -8.736521579e-04 -8.736521579e-04