# 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 = Pt2TiW # 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 4.475578932e+02 4.475578932e+02 1.30 4.177438375e+02 4.177438375e+02 1.32 3.899117568e+02 3.899117568e+02 1.34 3.639171943e+02 3.639171943e+02 1.36 3.396383827e+02 3.396383827e+02 1.38 3.169691665e+02 3.169691665e+02 1.40 2.958136144e+02 2.958136144e+02 1.42 2.760808118e+02 2.760808118e+02 1.44 2.576782934e+02 2.576782934e+02 1.46 2.405087792e+02 2.405087792e+02 1.48 2.244740349e+02 2.244740349e+02 1.50 2.094815045e+02 2.094815045e+02 1.52 1.954475062e+02 1.954475062e+02 1.54 1.822963467e+02 1.822963467e+02 1.56 1.699582376e+02 1.699582376e+02 1.58 1.583678363e+02 1.583678363e+02 1.60 1.474635765e+02 1.474635765e+02 1.62 1.371876721e+02 1.371876721e+02 1.64 1.274868738e+02 1.274868738e+02 1.66 1.183139109e+02 1.183139109e+02 1.68 1.096291099e+02 1.096291099e+02 1.70 1.014013192e+02 1.014013192e+02 1.72 9.360730272e+01 9.360730272e+01 1.74 8.622939450e+01 8.622939450e+01 1.76 7.925240997e+01 7.925240997e+01 1.78 7.266144805e+01 7.266144805e+01 1.80 6.644138865e+01 6.644138865e+01 1.82 6.057749673e+01 6.057749673e+01 1.84 5.505620055e+01 5.505620055e+01 1.86 4.986538600e+01 4.986538600e+01 1.88 4.499311913e+01 4.499311913e+01 1.90 4.043640699e+01 4.043640699e+01 1.92 3.626983671e+01 3.626983671e+01 1.94 3.248195568e+01 3.248195568e+01 1.96 2.903561950e+01 2.903561950e+01 1.98 2.589549670e+01 2.589549670e+01 2.00 2.302934171e+01 2.302934171e+01 2.02 2.040869188e+01 2.040869188e+01 2.04 1.800893114e+01 1.800893114e+01 2.06 1.580891982e+01 1.580891982e+01 2.08 1.379043615e+01 1.379043615e+01 2.10 1.193759907e+01 1.193759907e+01 2.12 1.023635575e+01 1.023635575e+01 2.14 8.674079138e+00 8.674079138e+00 2.16 7.239301124e+00 7.239301124e+00 2.18 5.921577569e+00 5.921577569e+00 2.20 4.711441773e+00 4.711441773e+00 2.22 3.600385236e+00 3.600385236e+00 2.24 2.580821848e+00 2.580821848e+00 2.26 1.646021698e+00 1.646021698e+00 2.28 7.900198739e-01 7.900198739e-01 2.30 7.509537290e-03 7.509537290e-03 2.32 -7.062742705e-01 -7.062742705e-01 2.34 -1.355670434e+00 -1.355670434e+00 2.36 -1.944694463e+00 -1.944694463e+00 2.38 -2.477121398e+00 -2.477121398e+00 2.40 -2.956551387e+00 -2.956551387e+00 2.42 -3.386466167e+00 -3.386466167e+00 2.44 -3.770280643e+00 -3.770280643e+00 2.46 -4.111386026e+00 -4.111386026e+00 2.48 -4.413175206e+00 -4.413175206e+00 2.50 -4.679034209e+00 -4.679034209e+00 2.52 -4.912244150e+00 -4.912244150e+00 2.54 -5.116107944e+00 -5.116107944e+00 2.56 -5.293765069e+00 -5.293765069e+00 2.58 -5.448051089e+00 -5.448051089e+00 2.60 -5.581423054e+00 -5.581423054e+00 2.62 -5.695929889e+00 -5.695929889e+00 2.64 -5.793233859e+00 -5.793233859e+00 2.66 -5.874671028e+00 -5.874671028e+00 2.68 -5.941281696e+00 -5.941281696e+00 2.70 -5.993856397e+00 -5.993856397e+00 2.72 -6.034925226e+00 -6.034925226e+00 2.74 -6.065497880e+00 -6.065497880e+00 2.76 -6.085608698e+00 -6.085608698e+00 2.78 -6.095392631e+00 -6.095392631e+00 2.80 -6.095078392e+00 -6.095078392e+00 2.82 -6.084857929e+00 -6.084857929e+00 2.84 -6.064975412e+00 -6.064975412e+00 2.86 -6.035734175e+00 -6.035734175e+00 2.88 -5.997500606e+00 -5.997500606e+00 2.90 -5.950712894e+00 -5.950712894e+00 2.92 -5.895890943e+00 -5.895890943e+00 2.94 -5.833590066e+00 -5.833590066e+00 2.96 -5.764329764e+00 -5.764329764e+00 2.98 -5.688717117e+00 -5.688717117e+00 3.00 -5.607444448e+00 -5.607444448e+00 3.02 -5.521250421e+00 -5.521250421e+00 3.04 -5.430873750e+00 -5.430873750e+00 3.06 -5.337007595e+00 -5.337007595e+00 3.08 -5.240261805e+00 -5.240261805e+00 3.10 -5.141139619e+00 -5.141139619e+00 3.12 -5.040029796e+00 -5.040029796e+00 3.14 -4.937212984e+00 -4.937212984e+00 3.16 -4.832877404e+00 -4.832877404e+00 3.18 -4.727140077e+00 -4.727140077e+00 3.20 -4.620068814e+00 -4.620068814e+00 3.22 -4.511702774e+00 -4.511702774e+00 3.24 -4.402070409e+00 -4.402070409e+00 3.26 -4.291204629e+00 -4.291204629e+00 3.28 -4.179155503e+00 -4.179155503e+00 3.30 -4.066000800e+00 -4.066000800e+00 3.32 -3.951854564e+00 -3.951854564e+00 3.34 -3.836873598e+00 -3.836873598e+00 3.36 -3.721261584e+00 -3.721261584e+00 3.38 -3.605270440e+00 -3.605270440e+00 3.40 -3.489198543e+00 -3.489198543e+00 3.42 -3.373385712e+00 -3.373385712e+00 3.44 -3.258204800e+00 -3.258204800e+00 3.46 -3.144054744e+00 -3.144054744e+00 3.48 -3.031517968e+00 -3.031517968e+00 3.50 -2.921354184e+00 -2.921354184e+00 3.52 -2.814214824e+00 -2.814214824e+00 3.54 -2.710616659e+00 -2.710616659e+00 3.56 -2.610941190e+00 -2.610941190e+00 3.58 -2.515439708e+00 -2.515439708e+00 3.60 -2.424243366e+00 -2.424243366e+00 3.62 -2.337377231e+00 -2.337377231e+00 3.64 -2.254777044e+00 -2.254777044e+00 3.66 -2.176307362e+00 -2.176307362e+00 3.68 -2.101779727e+00 -2.101779727e+00 3.70 -2.030969730e+00 -2.030969730e+00 3.72 -1.963632084e+00 -1.963632084e+00 3.74 -1.899513152e+00 -1.899513152e+00 3.76 -1.838360781e+00 -1.838360781e+00 3.78 -1.779931524e+00 -1.779931524e+00 3.80 -1.723995554e+00 -1.723995554e+00 3.82 -1.670339676e+00 -1.670339676e+00 3.84 -1.618768848e+00 -1.618768848e+00 3.86 -1.569106597e+00 -1.569106597e+00 3.88 -1.521194683e+00 -1.521194683e+00 3.90 -1.474892277e+00 -1.474892277e+00 3.92 -1.430074873e+00 -1.430074873e+00 3.94 -1.386633260e+00 -1.386633260e+00 3.96 -1.344472264e+00 -1.344472264e+00 3.98 -1.303509935e+00 -1.303509935e+00 4.00 -1.263676767e+00 -1.263676767e+00 4.02 -1.224915123e+00 -1.224915123e+00 4.04 -1.187178796e+00 -1.187178796e+00 4.06 -1.150432594e+00 -1.150432594e+00 4.08 -1.114651835e+00 -1.114651835e+00 4.10 -1.079821551e+00 -1.079821551e+00 4.12 -1.045935517e+00 -1.045935517e+00 4.14 -1.012994328e+00 -1.012994328e+00 4.16 -9.810034309e-01 -9.810034309e-01 4.18 -9.499704397e-01 -9.499704397e-01 4.20 -9.199022190e-01 -9.199022190e-01 4.22 -8.908019491e-01 -8.908019491e-01 4.24 -8.626664787e-01 -8.626664787e-01 4.26 -8.354842567e-01 -8.354842567e-01 4.28 -8.092340555e-01 -8.092340555e-01 4.30 -7.838845699e-01 -7.838845699e-01 4.32 -7.593948456e-01 -7.593948456e-01 4.34 -7.357153757e-01 -7.357153757e-01 4.36 -7.127896396e-01 -7.127896396e-01 4.38 -6.905558411e-01 -6.905558411e-01 4.40 -6.689486364e-01 -6.689486364e-01 4.42 -6.479006966e-01 -6.479006966e-01 4.44 -6.273440230e-01 -6.273440230e-01 4.46 -6.072109917e-01 -6.072109917e-01 4.48 -5.874351576e-01 -5.874351576e-01 4.50 -5.679518804e-01 -5.679518804e-01 4.52 -5.486988526e-01 -5.486988526e-01 4.54 -5.296166179e-01 -5.296166179e-01 4.56 -5.106491588e-01 -5.106491588e-01 4.58 -4.917446276e-01 -4.917446276e-01 4.60 -4.728562710e-01 -4.728562710e-01 4.62 -4.539435793e-01 -4.539435793e-01 4.64 -4.349736621e-01 -4.349736621e-01 4.66 -4.159228165e-01 -4.159228165e-01 4.68 -3.967782157e-01 -3.967782157e-01 4.70 -3.775396020e-01 -3.775396020e-01 4.72 -3.582208271e-01 -3.582208271e-01 4.74 -3.388510493e-01 -3.388510493e-01 4.76 -3.194753757e-01 -3.194753757e-01 4.78 -3.001547492e-01 -3.001547492e-01 4.80 -2.809648734e-01 -2.809648734e-01 4.82 -2.619943399e-01 -2.619943399e-01 4.84 -2.433413231e-01 -2.433413231e-01 4.86 -2.251098749e-01 -2.251098749e-01 4.88 -2.074053878e-01 -2.074053878e-01 4.90 -1.903298672e-01 -1.903298672e-01 4.92 -1.739773648e-01 -1.739773648e-01 4.94 -1.584299630e-01 -1.584299630e-01 4.96 -1.437546299e-01 -1.437546299e-01 4.98 -1.300011466e-01 -1.300011466e-01 5.00 -1.172011789e-01 -1.172011789e-01 5.02 -1.053684305e-01 -1.053684305e-01 5.04 -9.449971945e-02 -9.449971945e-02 5.06 -8.457675549e-02 -8.457675549e-02 5.08 -7.556837733e-02 -7.556837733e-02 5.10 -6.743302313e-02 -6.743302313e-02 5.12 -6.012124152e-02 -6.012124152e-02 5.14 -5.357809549e-02 -5.357809549e-02 5.16 -4.774535593e-02 -4.774535593e-02 5.18 -4.256342065e-02 -4.256342065e-02 5.20 -3.797292432e-02 -3.797292432e-02 5.22 -3.391603653e-02 -3.391603653e-02 5.24 -3.033745323e-02 -3.033745323e-02 5.26 -2.718504264e-02 -2.718504264e-02 5.28 -2.441023217e-02 -2.441023217e-02 5.30 -2.196868441e-02 -2.196868441e-02 5.32 -1.982004889e-02 -1.982004889e-02 5.34 -1.792816548e-02 -1.792816548e-02 5.36 -1.626057688e-02 -1.626057688e-02 5.38 -1.478836096e-02 -1.478836096e-02 5.40 -1.348590687e-02 -1.348590687e-02 5.42 -1.233065334e-02 -1.233065334e-02 5.44 -1.130281126e-02 -1.130281126e-02 5.46 -1.038508620e-02 -1.038508620e-02 5.48 -9.562411689e-03 -9.562411689e-03 5.50 -8.821699936e-03 -8.821699936e-03 5.52 -8.151613979e-03 -8.151613979e-03 5.54 -7.542361540e-03 -7.542361540e-03 5.56 -6.985516984e-03 -6.985516984e-03 5.58 -6.473861716e-03 -6.473861716e-03 5.60 -6.001245249e-03 -6.001245249e-03 5.62 -5.562465434e-03 -5.562465434e-03 5.64 -5.153164276e-03 -5.153164276e-03 5.66 -4.769736334e-03 -4.769736334e-03 5.68 -4.409246608e-03 -4.409246608e-03 5.70 -4.069354899e-03 -4.069354899e-03 5.72 -3.748243923e-03 -3.748243923e-03 5.74 -3.444548994e-03 -3.444548994e-03 5.76 -3.157296166e-03 -3.157296166e-03 5.78 -2.886271951e-03 -2.886271951e-03 5.80 -2.631137079e-03 -2.631137079e-03 5.82 -2.391413157e-03 -2.391413157e-03 5.84 -2.166756236e-03 -2.166756236e-03 5.86 -1.956901170e-03 -1.956901170e-03 5.88 -1.761612113e-03 -1.761612113e-03 5.90 -1.580640857e-03 -1.580640857e-03 5.92 -1.413694365e-03 -1.413694365e-03 5.94 -1.260412258e-03 -1.260412258e-03 5.96 -1.120354268e-03 -1.120354268e-03 5.98 -9.929969672e-04 -9.929969672e-04 6.00 -8.777384065e-04 -8.777384065e-04