# 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 = FePd2Ti # 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 2.872692526e+02 2.872692526e+02 1.30 2.654313930e+02 2.654313930e+02 1.32 2.452468785e+02 2.452468785e+02 1.34 2.265856748e+02 2.265856748e+02 1.36 2.093273276e+02 2.093273276e+02 1.38 1.933592284e+02 1.933592284e+02 1.40 1.785767907e+02 1.785767907e+02 1.42 1.648840755e+02 1.648840755e+02 1.44 1.521941622e+02 1.521941622e+02 1.46 1.404289755e+02 1.404289755e+02 1.48 1.295183133e+02 1.295183133e+02 1.50 1.193983046e+02 1.193983046e+02 1.52 1.100098886e+02 1.100098886e+02 1.54 1.012977671e+02 1.012977671e+02 1.56 9.320986990e+01 9.320986990e+01 1.58 8.569715616e+01 8.569715616e+01 1.60 7.871373610e+01 7.871373610e+01 1.62 7.221734206e+01 7.221734206e+01 1.64 6.616990784e+01 6.616990784e+01 1.66 6.053784856e+01 6.053784856e+01 1.68 5.529184123e+01 5.529184123e+01 1.70 5.040625775e+01 5.040625775e+01 1.72 4.585879632e+01 4.585879632e+01 1.74 4.165383838e+01 4.165383838e+01 1.76 3.778080821e+01 3.778080821e+01 1.78 3.421479378e+01 3.421479378e+01 1.80 3.093207558e+01 3.093207558e+01 1.82 2.791046436e+01 2.791046436e+01 1.84 2.512946793e+01 2.512946793e+01 1.86 2.257023478e+01 2.257023478e+01 1.88 2.021536225e+01 2.021536225e+01 1.90 1.804871373e+01 1.804871373e+01 1.92 1.605533886e+01 1.605533886e+01 1.94 1.422147526e+01 1.422147526e+01 1.96 1.253454261e+01 1.253454261e+01 1.98 1.098306665e+01 1.098306665e+01 2.00 9.556546710e+00 9.556546710e+00 2.02 8.245319067e+00 8.245319067e+00 2.04 7.040455180e+00 7.040455180e+00 2.06 5.933704712e+00 5.933704712e+00 2.08 4.917471699e+00 4.917471699e+00 2.10 3.984802140e+00 3.984802140e+00 2.12 3.129360542e+00 3.129360542e+00 2.14 2.345385130e+00 2.345385130e+00 2.16 1.627625669e+00 1.627625669e+00 2.18 9.712756577e-01 9.712756577e-01 2.20 3.719096631e-01 3.719096631e-01 2.22 -1.745685214e-01 -1.745685214e-01 2.24 -6.719637834e-01 -6.719637834e-01 2.26 -1.123813449e+00 -1.123813449e+00 2.28 -1.533400652e+00 -1.533400652e+00 2.30 -1.903764434e+00 -1.903764434e+00 2.32 -2.237715246e+00 -2.237715246e+00 2.34 -2.537857693e+00 -2.537857693e+00 2.36 -2.806618339e+00 -2.806618339e+00 2.38 -3.046273733e+00 -3.046273733e+00 2.40 -3.258975845e+00 -3.258975845e+00 2.42 -3.446773612e+00 -3.446773612e+00 2.44 -3.611629442e+00 -3.611629442e+00 2.46 -3.755429369e+00 -3.755429369e+00 2.48 -3.879984143e+00 -3.879984143e+00 2.50 -3.987043807e+00 -3.987043807e+00 2.52 -4.078266881e+00 -4.078266881e+00 2.54 -4.155064360e+00 -4.155064360e+00 2.56 -4.218709393e+00 -4.218709393e+00 2.58 -4.270334716e+00 -4.270334716e+00 2.60 -4.310935965e+00 -4.310935965e+00 2.62 -4.341387161e+00 -4.341387161e+00 2.64 -4.362453391e+00 -4.362453391e+00 2.66 -4.374755909e+00 -4.374755909e+00 2.68 -4.379402171e+00 -4.379402171e+00 2.70 -4.376766014e+00 -4.376766014e+00 2.72 -4.366962441e+00 -4.366962441e+00 2.74 -4.350155224e+00 -4.350155224e+00 2.76 -4.326555350e+00 -4.326555350e+00 2.78 -4.296416300e+00 -4.296416300e+00 2.80 -4.260032100e+00 -4.260032100e+00 2.82 -4.217740108e+00 -4.217740108e+00 2.84 -4.169980835e+00 -4.169980835e+00 2.86 -4.117293598e+00 -4.117293598e+00 2.88 -4.060208004e+00 -4.060208004e+00 2.90 -3.999189028e+00 -3.999189028e+00 2.92 -3.934717934e+00 -3.934717934e+00 2.94 -3.867292281e+00 -3.867292281e+00 2.96 -3.797405708e+00 -3.797405708e+00 2.98 -3.725528771e+00 -3.725528771e+00 3.00 -3.652093791e+00 -3.652093791e+00 3.02 -3.577485147e+00 -3.577485147e+00 3.04 -3.502034634e+00 -3.502034634e+00 3.06 -3.426020830e+00 -3.426020830e+00 3.08 -3.349670969e+00 -3.349670969e+00 3.10 -3.273165753e+00 -3.273165753e+00 3.12 -3.196646642e+00 -3.196646642e+00 3.14 -3.120225872e+00 -3.120225872e+00 3.16 -3.043997386e+00 -3.043997386e+00 3.18 -2.968048066e+00 -2.968048066e+00 3.20 -2.892466922e+00 -2.892466922e+00 3.22 -2.817351454e+00 -2.817351454e+00 3.24 -2.742810710e+00 -2.742810710e+00 3.26 -2.668965147e+00 -2.668965147e+00 3.28 -2.595943809e+00 -2.595943809e+00 3.30 -2.523879579e+00 -2.523879579e+00 3.32 -2.452903359e+00 -2.452903359e+00 3.34 -2.383138080e+00 -2.383138080e+00 3.36 -2.314693354e+00 -2.314693354e+00 3.38 -2.247661463e+00 -2.247661463e+00 3.40 -2.182115070e+00 -2.182115070e+00 3.42 -2.118106941e+00 -2.118106941e+00 3.44 -2.055671268e+00 -2.055671268e+00 3.46 -1.994826565e+00 -1.994826565e+00 3.48 -1.935579272e+00 -1.935579272e+00 3.50 -1.877927482e+00 -1.877927482e+00 3.52 -1.821864076e+00 -1.821864076e+00 3.54 -1.767378714e+00 -1.767378714e+00 3.56 -1.714458393e+00 -1.714458393e+00 3.58 -1.663086695e+00 -1.663086695e+00 3.60 -1.613242166e+00 -1.613242166e+00 3.62 -1.564896533e+00 -1.564896533e+00 3.64 -1.518013440e+00 -1.518013440e+00 3.66 -1.472548140e+00 -1.472548140e+00 3.68 -1.428448258e+00 -1.428448258e+00 3.70 -1.385655419e+00 -1.385655419e+00 3.72 -1.344107359e+00 -1.344107359e+00 3.74 -1.303740120e+00 -1.303740120e+00 3.76 -1.264490044e+00 -1.264490044e+00 3.78 -1.226295384e+00 -1.226295384e+00 3.80 -1.189097493e+00 -1.189097493e+00 3.82 -1.152841631e+00 -1.152841631e+00 3.84 -1.117477447e+00 -1.117477447e+00 3.86 -1.082959252e+00 -1.082959252e+00 3.88 -1.049246135e+00 -1.049246135e+00 3.90 -1.016302031e+00 -1.016302031e+00 3.92 -9.840957436e-01 -9.840957436e-01 3.94 -9.526011457e-01 -9.526011457e-01 3.96 -9.217971700e-01 -9.217971700e-01 3.98 -8.916681323e-01 -8.916681323e-01 4.00 -8.622039268e-01 -8.622039268e-01 4.02 -8.334001969e-01 -8.334001969e-01 4.04 -8.052583540e-01 -8.052583540e-01 4.06 -7.777853315e-01 -7.777853315e-01 4.08 -7.509929691e-01 -7.509929691e-01 4.10 -7.248968987e-01 -7.248968987e-01 4.12 -6.995152948e-01 -6.995152948e-01 4.14 -6.748666077e-01 -6.748666077e-01 4.16 -6.509677518e-01 -6.509677518e-01 4.18 -6.278319401e-01 -6.278319401e-01 4.20 -6.054668300e-01 -6.054668300e-01 4.22 -5.838731173e-01 -5.838731173e-01 4.24 -5.630437244e-01 -5.630437244e-01 4.26 -5.429636298e-01 -5.429636298e-01 4.28 -5.236102954e-01 -5.236102954e-01 4.30 -5.049545701e-01 -5.049545701e-01 4.32 -4.869619070e-01 -4.869619070e-01 4.34 -4.695937275e-01 -4.695937275e-01 4.36 -4.528087861e-01 -4.528087861e-01 4.38 -4.365644306e-01 -4.365644306e-01 4.40 -4.208176972e-01 -4.208176972e-01 4.42 -4.055262207e-01 -4.055262207e-01 4.44 -3.906489711e-01 -3.906489711e-01 4.46 -3.761468498e-01 -3.761468498e-01 4.48 -3.619831876e-01 -3.619831876e-01 4.50 -3.481241903e-01 -3.481241903e-01 4.52 -3.345393695e-01 -3.345393695e-01 4.54 -3.212019890e-01 -3.212019890e-01 4.56 -3.080895409e-01 -3.080895409e-01 4.58 -2.951842484e-01 -2.951842484e-01 4.60 -2.824735750e-01 -2.824735750e-01 4.62 -2.699506996e-01 -2.699506996e-01 4.64 -2.576148996e-01 -2.576148996e-01 4.66 -2.454717726e-01 -2.454717726e-01 4.68 -2.335332224e-01 -2.335332224e-01 4.70 -2.218171400e-01 -2.218171400e-01 4.72 -2.103467334e-01 -2.103467334e-01 4.74 -1.991494908e-01 -1.991494908e-01 4.76 -1.882558073e-01 -1.882558073e-01 4.78 -1.776973530e-01 -1.776973530e-01 4.80 -1.675052647e-01 -1.675052647e-01 4.82 -1.577085698e-01 -1.577085698e-01 4.84 -1.483323413e-01 -1.483323413e-01 4.86 -1.393966374e-01 -1.393966374e-01 4.88 -1.309156228e-01 -1.309156228e-01 4.90 -1.228972107e-01 -1.228972107e-01 4.92 -1.153431572e-01 -1.153431572e-01 4.94 -1.082495396e-01 -1.082495396e-01 4.96 -1.016075077e-01 -1.016075077e-01 4.98 -9.540418483e-02 -9.540418483e-02 5.00 -8.962359740e-02 -8.962359740e-02 5.02 -8.424753375e-02 -8.424753375e-02 5.04 -7.925610206e-02 -7.925610206e-02 5.06 -7.462857306e-02 -7.462857306e-02 5.08 -7.034393162e-02 -7.034393162e-02 5.10 -6.638081971e-02 -6.638081971e-02 5.12 -6.271777717e-02 -6.271777717e-02 5.14 -5.933342452e-02 -5.933342452e-02 5.16 -5.620651474e-02 -5.620651474e-02 5.18 -5.331600615e-02 -5.331600615e-02 5.20 -5.064197314e-02 -5.064197314e-02 5.22 -4.816512000e-02 -4.816512000e-02 5.24 -4.586690900e-02 -4.586690900e-02 5.26 -4.372972782e-02 -4.372972782e-02 5.28 -4.173701494e-02 -4.173701494e-02 5.30 -3.987334141e-02 -3.987334141e-02 5.32 -3.812445098e-02 -3.812445098e-02 5.34 -3.647726218e-02 -3.647726218e-02 5.36 -3.491984065e-02 -3.491984065e-02 5.38 -3.344134975e-02 -3.344134975e-02 5.40 -3.203198621e-02 -3.203198621e-02 5.42 -3.068290861e-02 -3.068290861e-02 5.44 -2.938616505e-02 -2.938616505e-02 5.46 -2.813462527e-02 -2.813462527e-02 5.48 -2.692192118e-02 -2.692192118e-02 5.50 -2.574239885e-02 -2.574239885e-02 5.52 -2.459108384e-02 -2.459108384e-02 5.54 -2.346366019e-02 -2.346366019e-02 5.56 -2.235646534e-02 -2.235646534e-02 5.58 -2.126649556e-02 -2.126649556e-02 5.60 -2.019142167e-02 -2.019142167e-02 5.62 -1.912961168e-02 -1.912961168e-02 5.64 -1.808015477e-02 -1.808015477e-02 5.66 -1.704288059e-02 -1.704288059e-02 5.68 -1.601836696e-02 -1.601836696e-02 5.70 -1.500792872e-02 -1.500792872e-02 5.72 -1.401358109e-02 -1.401358109e-02 5.74 -1.303797226e-02 -1.303797226e-02 5.76 -1.208428115e-02 -1.208428115e-02 5.78 -1.115601414e-02 -1.115601414e-02 5.80 -1.025697064e-02 -1.025697064e-02 5.82 -9.391052869e-03 -9.391052869e-03 5.84 -8.562022749e-03 -8.562022749e-03 5.86 -7.773316756e-03 -7.773316756e-03 5.88 -7.027880704e-03 -7.027880704e-03 5.90 -6.328036839e-03 -6.328036839e-03 5.92 -5.675392234e-03 -5.675392234e-03 5.94 -5.070793001e-03 -5.070793001e-03 5.96 -4.514324106e-03 -4.514324106e-03 5.98 -4.005350194e-03 -4.005350194e-03 6.00 -3.542589637e-03 -3.542589637e-03