# 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 = AlMo2Ta # 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 2.627141799e+02 2.627141799e+02 1.30 2.437309734e+02 2.437309734e+02 1.32 2.261443437e+02 2.261443437e+02 1.34 2.098341339e+02 2.098341339e+02 1.36 1.946919376e+02 1.946919376e+02 1.38 1.806210664e+02 1.806210664e+02 1.40 1.675359703e+02 1.675359703e+02 1.42 1.553608399e+02 1.553608399e+02 1.44 1.440276166e+02 1.440276166e+02 1.46 1.334740501e+02 1.334740501e+02 1.48 1.236424829e+02 1.236424829e+02 1.50 1.144795603e+02 1.144795603e+02 1.52 1.059364723e+02 1.059364723e+02 1.54 9.796920914e+01 9.796920914e+01 1.56 9.053855800e+01 9.053855800e+01 1.58 8.360970411e+01 8.360970411e+01 1.60 7.715136987e+01 7.715136987e+01 1.62 7.113464261e+01 7.113464261e+01 1.64 6.553185429e+01 6.553185429e+01 1.66 6.031588224e+01 6.031588224e+01 1.68 5.546004069e+01 5.546004069e+01 1.70 5.093845127e+01 5.093845127e+01 1.72 4.672657757e+01 4.672657757e+01 1.74 4.280162317e+01 4.280162317e+01 1.76 3.914268814e+01 3.914268814e+01 1.78 3.573075565e+01 3.573075565e+01 1.80 3.254861313e+01 3.254861313e+01 1.82 2.958111050e+01 2.958111050e+01 1.84 2.681857219e+01 2.681857219e+01 1.86 2.425198511e+01 2.425198511e+01 1.88 2.187140472e+01 2.187140472e+01 1.90 1.966693385e+01 1.966693385e+01 1.92 1.762779226e+01 1.762779226e+01 1.94 1.574303751e+01 1.574303751e+01 1.96 1.400187160e+01 1.400187160e+01 1.98 1.239361886e+01 1.239361886e+01 2.00 1.090784179e+01 1.090784179e+01 2.02 9.534536187e+00 9.534536187e+00 2.04 8.264322228e+00 8.264322228e+00 2.06 7.088563608e+00 7.088563608e+00 2.08 5.999394689e+00 5.999394689e+00 2.10 4.989683484e+00 4.989683484e+00 2.12 4.052977093e+00 4.052977093e+00 2.14 3.183462181e+00 3.183462181e+00 2.16 2.375945416e+00 2.375945416e+00 2.18 1.625838013e+00 1.625838013e+00 2.20 9.291240478e-01 9.291240478e-01 2.22 2.823007165e-01 2.823007165e-01 2.24 -3.177078263e-01 -3.177078263e-01 2.26 -8.736508703e-01 -8.736508703e-01 2.28 -1.388049379e+00 -1.388049379e+00 2.30 -1.863277337e+00 -1.863277337e+00 2.32 -2.301617016e+00 -2.301617016e+00 2.34 -2.705285115e+00 -2.705285115e+00 2.36 -3.076433109e+00 -3.076433109e+00 2.38 -3.417129584e+00 -3.417129584e+00 2.40 -3.729335181e+00 -3.729335181e+00 2.42 -4.014880404e+00 -4.014880404e+00 2.44 -4.275453476e+00 -4.275453476e+00 2.46 -4.512600705e+00 -4.512600705e+00 2.48 -4.727737455e+00 -4.727737455e+00 2.50 -4.922165524e+00 -4.922165524e+00 2.52 -5.097092886e+00 -5.097092886e+00 2.54 -5.253643883e+00 -5.253643883e+00 2.56 -5.392809907e+00 -5.392809907e+00 2.58 -5.515680022e+00 -5.515680022e+00 2.60 -5.623328165e+00 -5.623328165e+00 2.62 -5.716768526e+00 -5.716768526e+00 2.64 -5.796946518e+00 -5.796946518e+00 2.66 -5.864719415e+00 -5.864719415e+00 2.68 -5.920633756e+00 -5.920633756e+00 2.70 -5.965442856e+00 -5.965442856e+00 2.72 -5.999969235e+00 -5.999969235e+00 2.74 -6.024841017e+00 -6.024841017e+00 2.76 -6.040568910e+00 -6.040568910e+00 2.78 -6.047649768e+00 -6.047649768e+00 2.80 -6.046580729e+00 -6.046580729e+00 2.82 -6.037866530e+00 -6.037866530e+00 2.84 -6.021922901e+00 -6.021922901e+00 2.86 -5.998799506e+00 -5.998799506e+00 2.88 -5.968525423e+00 -5.968525423e+00 2.90 -5.931210714e+00 -5.931210714e+00 2.92 -5.887041877e+00 -5.887041877e+00 2.94 -5.836277423e+00 -5.836277423e+00 2.96 -5.779260067e+00 -5.779260067e+00 2.98 -5.717064137e+00 -5.717064137e+00 3.00 -5.650208790e+00 -5.650208790e+00 3.02 -5.578814885e+00 -5.578814885e+00 3.04 -5.503037315e+00 -5.503037315e+00 3.06 -5.423039367e+00 -5.423039367e+00 3.08 -5.338969913e+00 -5.338969913e+00 3.10 -5.250945644e+00 -5.250945644e+00 3.12 -5.159054694e+00 -5.159054694e+00 3.14 -5.063361263e+00 -5.063361263e+00 3.16 -4.963880770e+00 -4.963880770e+00 3.18 -4.860586845e+00 -4.860586845e+00 3.20 -4.753427099e+00 -4.753427099e+00 3.22 -4.642343544e+00 -4.642343544e+00 3.24 -4.527296011e+00 -4.527296011e+00 3.26 -4.408286787e+00 -4.408286787e+00 3.28 -4.285384611e+00 -4.285384611e+00 3.30 -4.158746153e+00 -4.158746153e+00 3.32 -4.028633012e+00 -4.028633012e+00 3.34 -3.895422437e+00 -3.895422437e+00 3.36 -3.759610194e+00 -3.759610194e+00 3.38 -3.621804560e+00 -3.621804560e+00 3.40 -3.482711165e+00 -3.482711165e+00 3.42 -3.343109292e+00 -3.343109292e+00 3.44 -3.203821175e+00 -3.203821175e+00 3.46 -3.065676780e+00 -3.065676780e+00 3.48 -2.929477099e+00 -2.929477099e+00 3.50 -2.795959324e+00 -2.795959324e+00 3.52 -2.665767099e+00 -2.665767099e+00 3.54 -2.539428449e+00 -2.539428449e+00 3.56 -2.417343037e+00 -2.417343037e+00 3.58 -2.299779276e+00 -2.299779276e+00 3.60 -2.186880692e+00 -2.186880692e+00 3.62 -2.078680053e+00 -2.078680053e+00 3.64 -1.975119108e+00 -1.975119108e+00 3.66 -1.876071569e+00 -1.876071569e+00 3.68 -1.781366971e+00 -1.781366971e+00 3.70 -1.690813351e+00 -1.690813351e+00 3.72 -1.604217063e+00 -1.604217063e+00 3.74 -1.521398564e+00 -1.521398564e+00 3.76 -1.442203455e+00 -1.442203455e+00 3.78 -1.366508554e+00 -1.366508554e+00 3.80 -1.294223178e+00 -1.294223178e+00 3.82 -1.225286223e+00 -1.225286223e+00 3.84 -1.159659903e+00 -1.159659903e+00 3.86 -1.097321249e+00 -1.097321249e+00 3.88 -1.038252573e+00 -1.038252573e+00 3.90 -9.824320500e-01 -9.824320500e-01 3.92 -9.298254352e-01 -9.298254352e-01 3.94 -8.803796964e-01 -8.803796964e-01 3.96 -8.340189374e-01 -8.340189374e-01 3.98 -7.906427984e-01 -7.906427984e-01 4.00 -7.501271025e-01 -7.501271025e-01 4.02 -7.123264037e-01 -7.123264037e-01 4.04 -6.770779545e-01 -6.770779545e-01 4.06 -6.442065301e-01 -6.442065301e-01 4.08 -6.135294582e-01 -6.135294582e-01 4.10 -5.848621300e-01 -5.848621300e-01 4.12 -5.580231023e-01 -5.580231023e-01 4.14 -5.328380043e-01 -5.328380043e-01 4.16 -5.091434004e-01 -5.091434004e-01 4.18 -4.867898455e-01 -4.867898455e-01 4.20 -4.656441718e-01 -4.656441718e-01 4.22 -4.455909568e-01 -4.455909568e-01 4.24 -4.265331364e-01 -4.265331364e-01 4.26 -4.083917375e-01 -4.083917375e-01 4.28 -3.911047308e-01 -3.911047308e-01 4.30 -3.746250594e-01 -3.746250594e-01 4.32 -3.589179695e-01 -3.589179695e-01 4.34 -3.439578498e-01 -3.439578498e-01 4.36 -3.297248539e-01 -3.297248539e-01 4.38 -3.162016108e-01 -3.162016108e-01 4.40 -3.033703175e-01 -3.033703175e-01 4.42 -2.912104473e-01 -2.912104473e-01 4.44 -2.796972096e-01 -2.796972096e-01 4.46 -2.688007884e-01 -2.688007884e-01 4.48 -2.584862878e-01 -2.584862878e-01 4.50 -2.487142298e-01 -2.487142298e-01 4.52 -2.394414471e-01 -2.394414471e-01 4.54 -2.306221753e-01 -2.306221753e-01 4.56 -2.222091934e-01 -2.222091934e-01 4.58 -2.141548856e-01 -2.141548856e-01 4.60 -2.064121823e-01 -2.064121823e-01 4.62 -1.989352336e-01 -1.989352336e-01 4.64 -1.916801200e-01 -1.916801200e-01 4.66 -1.846057393e-01 -1.846057393e-01 4.68 -1.776737589e-01 -1.776737589e-01 4.70 -1.708490010e-01 -1.708490010e-01 4.72 -1.640998152e-01 -1.640998152e-01 4.74 -1.573984506e-01 -1.573984506e-01 4.76 -1.507214498e-01 -1.507214498e-01 4.78 -1.440500743e-01 -1.440500743e-01 4.80 -1.373707457e-01 -1.373707457e-01 4.82 -1.306755127e-01 -1.306755127e-01 4.84 -1.239624119e-01 -1.239624119e-01 4.86 -1.172357900e-01 -1.172357900e-01 4.88 -1.105064273e-01 -1.105064273e-01 4.90 -1.037914398e-01 -1.037914398e-01 4.92 -9.711389312e-02 -9.711389312e-02 4.94 -9.050209496e-02 -9.050209496e-02 4.96 -8.398855863e-02 -8.398855863e-02 4.98 -7.760866892e-02 -7.760866892e-02 5.00 -7.139912081e-02 -7.139912081e-02 5.02 -6.539623546e-02 -6.539623546e-02 5.04 -5.963428090e-02 -5.963428090e-02 5.06 -5.414393039e-02 -5.414393039e-02 5.08 -4.895097752e-02 -4.895097752e-02 5.10 -4.407540294e-02 -4.407540294e-02 5.12 -3.953084464e-02 -3.953084464e-02 5.14 -3.532445974e-02 -3.532445974e-02 5.16 -3.145716575e-02 -3.145716575e-02 5.18 -2.792417449e-02 -2.792417449e-02 5.20 -2.471576185e-02 -2.471576185e-02 5.22 -2.181817315e-02 -2.181817315e-02 5.24 -1.921456471e-02 -1.921456471e-02 5.26 -1.688589517e-02 -1.688589517e-02 5.28 -1.481142180e-02 -1.481142180e-02 5.30 -1.297039412e-02 -1.297039412e-02 5.32 -1.134217453e-02 -1.134217453e-02 5.34 -9.906520784e-03 -9.906520784e-03 5.36 -8.643995488e-03 -8.643995488e-03 5.38 -7.536251833e-03 -7.536251833e-03 5.40 -6.566214811e-03 -6.566214811e-03 5.42 -5.718177998e-03 -5.718177998e-03 5.44 -4.977834718e-03 -4.977834718e-03 5.46 -4.332260287e-03 -4.332260287e-03 5.48 -3.769859532e-03 -3.769859532e-03 5.50 -3.280291153e-03 -3.280291153e-03 5.52 -2.854378079e-03 -2.854378079e-03 5.54 -2.484010781e-03 -2.484010781e-03 5.56 -2.162048707e-03 -2.162048707e-03 5.58 -1.882223498e-03 -1.882223498e-03 5.60 -1.639046452e-03 -1.639046452e-03 5.62 -1.427721806e-03 -1.427721806e-03 5.64 -1.244066716e-03 -1.244066716e-03 5.66 -1.084438290e-03 -1.084438290e-03 5.68 -9.456677249e-04 -9.456677249e-04 5.70 -8.250012948e-04 -8.250012948e-04 5.72 -7.200478410e-04 -7.200478410e-04 5.74 -6.287322852e-04 -6.287322852e-04 5.76 -5.492546593e-04 -5.492546593e-04 5.78 -4.800541305e-04 -4.800541305e-04 5.80 -4.197775082e-04 -4.197775082e-04 5.82 -3.672517435e-04 -3.672517435e-04 5.84 -3.214599672e-04 -3.214599672e-04 5.86 -2.815206455e-04 -2.815206455e-04 5.88 -2.466694746e-04 -2.466694746e-04 5.90 -2.162436718e-04 -2.162436718e-04 5.92 -1.896683591e-04 -1.896683591e-04 5.94 -1.664447688e-04 -1.664447688e-04 5.96 -1.461400335e-04 -1.461400335e-04 5.98 -1.283783505e-04 -1.283783505e-04 6.00 -1.128333390e-04 -1.128333390e-04