# 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 = PdPtW2 # 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 4.796590343e+02 4.796590343e+02 1.30 4.461608600e+02 4.461608600e+02 1.32 4.150103992e+02 4.150103992e+02 1.34 3.860179487e+02 3.860179487e+02 1.36 3.590283659e+02 3.590283659e+02 1.38 3.339112507e+02 3.339112507e+02 1.40 3.105494957e+02 3.105494957e+02 1.42 2.888294772e+02 2.888294772e+02 1.44 2.686358965e+02 2.686358965e+02 1.46 2.498526997e+02 2.498526997e+02 1.48 2.323677038e+02 2.323677038e+02 1.50 2.160766256e+02 2.160766256e+02 1.52 2.008843306e+02 2.008843306e+02 1.54 1.867040824e+02 1.867040824e+02 1.56 1.734563693e+02 1.734563693e+02 1.58 1.610679426e+02 1.610679426e+02 1.60 1.494709730e+02 1.494709730e+02 1.62 1.386023795e+02 1.386023795e+02 1.64 1.284036374e+02 1.284036374e+02 1.66 1.188211792e+02 1.188211792e+02 1.68 1.098071290e+02 1.098071290e+02 1.70 1.013199547e+02 1.013199547e+02 1.72 9.332470383e+01 9.332470383e+01 1.74 8.579267109e+01 8.579267109e+01 1.76 7.870063174e+01 7.870063174e+01 1.78 7.202995333e+01 7.202995333e+01 1.80 6.576569116e+01 6.576569116e+01 1.82 5.989542636e+01 5.989542636e+01 1.84 5.440764704e+01 5.440764704e+01 1.86 4.929060265e+01 4.929060265e+01 1.88 4.453001318e+01 4.453001318e+01 1.90 4.010751642e+01 4.010751642e+01 1.92 3.602124099e+01 3.602124099e+01 1.94 3.229992450e+01 3.229992450e+01 1.96 2.891047844e+01 2.891047844e+01 1.98 2.581820479e+01 2.581820479e+01 2.00 2.299242660e+01 2.299242660e+01 2.02 2.040644352e+01 2.040644352e+01 2.04 1.803709242e+01 1.803709242e+01 2.06 1.586414922e+01 1.586414922e+01 2.08 1.386974399e+01 1.386974399e+01 2.10 1.203788087e+01 1.203788087e+01 2.12 1.035409646e+01 1.035409646e+01 2.14 8.805257981e+00 8.805257981e+00 2.16 7.379477610e+00 7.379477610e+00 2.18 6.066096796e+00 6.066096796e+00 2.20 4.855681964e+00 4.855681964e+00 2.22 3.739983396e+00 3.739983396e+00 2.24 2.711837632e+00 2.711837632e+00 2.26 1.765023074e+00 1.765023074e+00 2.28 8.940939656e-01 8.940939656e-01 2.30 9.421778677e-02 9.421778677e-02 2.32 -6.389678613e-01 -6.389678613e-01 2.34 -1.309472738e+00 -1.309472738e+00 2.36 -1.921046641e+00 -1.921046641e+00 2.38 -2.477251013e+00 -2.477251013e+00 2.40 -2.981513503e+00 -2.981513503e+00 2.42 -3.437168225e+00 -3.437168225e+00 2.44 -3.847482887e+00 -3.847482887e+00 2.46 -4.215672481e+00 -4.215672481e+00 2.48 -4.544897951e+00 -4.544897951e+00 2.50 -4.838110889e+00 -4.838110889e+00 2.52 -5.098295996e+00 -5.098295996e+00 2.54 -5.328452912e+00 -5.328452912e+00 2.56 -5.531325731e+00 -5.531325731e+00 2.58 -5.709348058e+00 -5.709348058e+00 2.60 -5.864612327e+00 -5.864612327e+00 2.62 -5.998874236e+00 -5.998874236e+00 2.64 -6.113586991e+00 -6.113586991e+00 2.66 -6.209700732e+00 -6.209700732e+00 2.68 -6.287654875e+00 -6.287654875e+00 2.70 -6.347943825e+00 -6.347943825e+00 2.72 -6.392119330e+00 -6.392119330e+00 2.74 -6.420842029e+00 -6.420842029e+00 2.76 -6.434373510e+00 -6.434373510e+00 2.78 -6.433064936e+00 -6.433064936e+00 2.80 -6.417343908e+00 -6.417343908e+00 2.82 -6.387705760e+00 -6.387705760e+00 2.84 -6.344711210e+00 -6.344711210e+00 2.86 -6.288990933e+00 -6.288990933e+00 2.88 -6.221255994e+00 -6.221255994e+00 2.90 -6.142311258e+00 -6.142311258e+00 2.92 -6.053067254e+00 -6.053067254e+00 2.94 -5.954545045e+00 -5.954545045e+00 2.96 -5.847868897e+00 -5.847868897e+00 2.98 -5.734321479e+00 -5.734321479e+00 3.00 -5.615436366e+00 -5.615436366e+00 3.02 -5.492326624e+00 -5.492326624e+00 3.04 -5.366017654e+00 -5.366017654e+00 3.06 -5.237443949e+00 -5.237443949e+00 3.08 -5.107403217e+00 -5.107403217e+00 3.10 -4.976526673e+00 -4.976526673e+00 3.12 -4.845267158e+00 -4.845267158e+00 3.14 -4.713908544e+00 -4.713908544e+00 3.16 -4.582623133e+00 -4.582623133e+00 3.18 -4.451473725e+00 -4.451473725e+00 3.20 -4.320418441e+00 -4.320418441e+00 3.22 -4.189344993e+00 -4.189344993e+00 3.24 -4.058104213e+00 -4.058104213e+00 3.26 -3.926541285e+00 -3.926541285e+00 3.28 -3.794523932e+00 -3.794523932e+00 3.30 -3.661967130e+00 -3.661967130e+00 3.32 -3.528853985e+00 -3.528853985e+00 3.34 -3.395252268e+00 -3.395252268e+00 3.36 -3.261325931e+00 -3.261325931e+00 3.38 -3.127364754e+00 -3.127364754e+00 3.40 -2.994083233e+00 -2.994083233e+00 3.42 -2.862464710e+00 -2.862464710e+00 3.44 -2.733466470e+00 -2.733466470e+00 3.46 -2.607977756e+00 -2.607977756e+00 3.48 -2.486784722e+00 -2.486784722e+00 3.50 -2.370540739e+00 -2.370540739e+00 3.52 -2.259745704e+00 -2.259745704e+00 3.54 -2.154736496e+00 -2.154736496e+00 3.56 -2.055688961e+00 -2.055688961e+00 3.58 -1.962630142e+00 -1.962630142e+00 3.60 -1.875458269e+00 -1.875458269e+00 3.62 -1.793967426e+00 -1.793967426e+00 3.64 -1.717873834e+00 -1.717873834e+00 3.66 -1.646841175e+00 -1.646841175e+00 3.68 -1.580503109e+00 -1.580503109e+00 3.70 -1.518481964e+00 -1.518481964e+00 3.72 -1.460403225e+00 -1.460403225e+00 3.74 -1.405905997e+00 -1.405905997e+00 3.76 -1.354649925e+00 -1.354649925e+00 3.78 -1.306319212e+00 -1.306319212e+00 3.80 -1.260624394e+00 -1.260624394e+00 3.82 -1.217302514e+00 -1.217302514e+00 3.84 -1.176116203e+00 -1.176116203e+00 3.86 -1.136852105e+00 -1.136852105e+00 3.88 -1.099318992e+00 -1.099318992e+00 3.90 -1.063345783e+00 -1.063345783e+00 3.92 -1.028779668e+00 -1.028779668e+00 3.94 -9.954844352e-01 -9.954844352e-01 3.96 -9.633390717e-01 -9.633390717e-01 3.98 -9.322366793e-01 -9.322366793e-01 4.00 -9.020836995e-01 -9.020836995e-01 4.02 -8.727994245e-01 -8.727994245e-01 4.04 -8.443157354e-01 -8.443157354e-01 4.06 -8.165769825e-01 -8.165769825e-01 4.08 -7.895398926e-01 -7.895398926e-01 4.10 -7.631733573e-01 -7.631733573e-01 4.12 -7.374579803e-01 -7.374579803e-01 4.14 -7.123851671e-01 -7.123851671e-01 4.16 -6.879557445e-01 -6.879557445e-01 4.18 -6.641779864e-01 -6.641779864e-01 4.20 -6.410651186e-01 -6.410651186e-01 4.22 -6.186324354e-01 -6.186324354e-01 4.24 -5.968942585e-01 -5.968942585e-01 4.26 -5.758610184e-01 -5.758610184e-01 4.28 -5.555367646e-01 -5.555367646e-01 4.30 -5.359173254e-01 -5.359173254e-01 4.32 -5.169892471e-01 -5.169892471e-01 4.34 -4.987296298e-01 -4.987296298e-01 4.36 -4.811073147e-01 -4.811073147e-01 4.38 -4.640819669e-01 -4.640819669e-01 4.40 -4.476067375e-01 -4.476067375e-01 4.42 -4.316302568e-01 -4.316302568e-01 4.44 -4.160981509e-01 -4.160981509e-01 4.46 -4.009545247e-01 -4.009545247e-01 4.48 -3.861433297e-01 -3.861433297e-01 4.50 -3.716095838e-01 -3.716095838e-01 4.52 -3.573004839e-01 -3.573004839e-01 4.54 -3.431663184e-01 -3.431663184e-01 4.56 -3.291617705e-01 -3.291617705e-01 4.58 -3.152467552e-01 -3.152467552e-01 4.60 -3.013873455e-01 -3.013873455e-01 4.62 -2.875568410e-01 -2.875568410e-01 4.64 -2.737368344e-01 -2.737368344e-01 4.66 -2.599182299e-01 -2.599182299e-01 4.68 -2.461021443e-01 -2.461021443e-01 4.70 -2.323005950e-01 -2.323005950e-01 4.72 -2.185368671e-01 -2.185368671e-01 4.74 -2.048454487e-01 -2.048454487e-01 4.76 -1.912714400e-01 -1.912714400e-01 4.78 -1.778693714e-01 -1.778693714e-01 4.80 -1.647014156e-01 -1.647014156e-01 4.82 -1.518350405e-01 -1.518350405e-01 4.84 -1.393402057e-01 -1.393402057e-01 4.86 -1.272862865e-01 -1.272862865e-01 4.88 -1.157389314e-01 -1.157389314e-01 4.90 -1.047571008e-01 -1.047571008e-01 4.92 -9.439051507e-02 -9.439051507e-02 4.94 -8.467770557e-02 -8.467770557e-02 4.96 -7.564479833e-02 -7.564479833e-02 4.98 -6.730507785e-02 -6.730507785e-02 5.00 -5.965929983e-02 -5.965929983e-02 5.02 -5.269665054e-02 -5.269665054e-02 5.04 -4.639620181e-02 -4.639620181e-02 5.06 -4.072868670e-02 -4.072868670e-02 5.08 -3.565842181e-02 -3.565842181e-02 5.10 -3.114522277e-02 -3.114522277e-02 5.12 -2.714618885e-02 -2.714618885e-02 5.14 -2.361727875e-02 -2.361727875e-02 5.16 -2.051462733e-02 -2.051462733e-02 5.18 -1.779557475e-02 -1.779557475e-02 5.20 -1.541906929e-02 -1.541906929e-02 5.22 -1.334713037e-02 -1.334713037e-02 5.24 -1.154477302e-02 -1.154477302e-02 5.26 -9.979890421e-03 -9.979890421e-03 5.28 -8.623345641e-03 -8.623345641e-03 5.30 -7.448941600e-03 -7.448941600e-03 5.32 -6.433306404e-03 -6.433306404e-03 5.34 -5.555723589e-03 -5.555723589e-03 5.36 -4.797930160e-03 -4.797930160e-03 5.38 -4.143899475e-03 -4.143899475e-03 5.40 -3.579621273e-03 -3.579621273e-03 5.42 -3.092887292e-03 -3.092887292e-03 5.44 -2.673088033e-03 -2.673088033e-03 5.46 -2.311023960e-03 -2.311023960e-03 5.48 -1.998732833e-03 -1.998732833e-03 5.50 -1.729333723e-03 -1.729333723e-03 5.52 -1.496887457e-03 -1.496887457e-03 5.54 -1.296272746e-03 -1.296272746e-03 5.56 -1.123076944e-03 -1.123076944e-03 5.58 -9.735002071e-04 -9.735002071e-04 5.60 -8.442717781e-04 -8.442717781e-04 5.62 -7.325771213e-04 -7.325771213e-04 5.64 -6.359946916e-04 -6.359946916e-04 5.66 -5.524411936e-04 -5.524411936e-04 5.68 -4.801242877e-04 -4.801242877e-04 5.70 -4.175017959e-04 -4.175017959e-04 5.72 -3.632465605e-04 -3.632465605e-04 5.74 -3.162162047e-04 -3.162162047e-04 5.76 -2.754271323e-04 -2.754271323e-04 5.78 -2.400321869e-04 -2.400321869e-04 5.80 -2.093014650e-04 -2.093014650e-04 5.82 -1.826058427e-04 -1.826058427e-04 5.84 -1.594028347e-04 -1.594028347e-04 5.86 -1.392244576e-04 -1.392244576e-04 5.88 -1.216668130e-04 -1.216668130e-04 5.90 -1.063811458e-04 -1.063811458e-04 5.92 -9.306616859e-05 -9.306616859e-05 5.94 -8.146146991e-05 -8.146146991e-05 5.96 -7.134185406e-05 -7.134185406e-05 5.98 -6.251247770e-05 -6.251247770e-05 6.00 -5.480467040e-05 -5.480467040e-05