# 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 = AuMoZr2 # 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 4.010571488e+02 4.010571488e+02 1.30 3.732234317e+02 3.732234317e+02 1.32 3.473827157e+02 3.473827157e+02 1.34 3.233834741e+02 3.233834741e+02 1.36 3.010876386e+02 3.010876386e+02 1.38 2.803677624e+02 2.803677624e+02 1.40 2.611045710e+02 2.611045710e+02 1.42 2.431858289e+02 2.431858289e+02 1.44 2.265064837e+02 2.265064837e+02 1.46 2.109690580e+02 2.109690580e+02 1.48 1.964839760e+02 1.964839760e+02 1.50 1.829701046e+02 1.829701046e+02 1.52 1.703552006e+02 1.703552006e+02 1.54 1.585754082e+02 1.585754082e+02 1.56 1.475739398e+02 1.475739398e+02 1.58 1.372993353e+02 1.372993353e+02 1.60 1.277040065e+02 1.277040065e+02 1.62 1.187432330e+02 1.187432330e+02 1.64 1.103747307e+02 1.103747307e+02 1.66 1.025584932e+02 1.025584932e+02 1.68 9.525686884e+01 9.525686884e+01 1.70 8.843471524e+01 8.843471524e+01 1.72 8.205940594e+01 8.205940594e+01 1.74 7.610067735e+01 7.610067735e+01 1.76 7.053039170e+01 7.053039170e+01 1.78 6.532231398e+01 6.532231398e+01 1.80 6.045192792e+01 6.045192792e+01 1.82 5.589627135e+01 5.589627135e+01 1.84 5.163388818e+01 5.163388818e+01 1.86 4.764488165e+01 4.764488165e+01 1.88 4.391088799e+01 4.391088799e+01 1.90 4.041493345e+01 4.041493345e+01 1.92 3.714124492e+01 3.714124492e+01 1.94 3.407503907e+01 3.407503907e+01 1.96 3.120253322e+01 3.120253322e+01 1.98 2.851162820e+01 2.851162820e+01 2.00 2.599113943e+01 2.599113943e+01 2.02 2.363743797e+01 2.363743797e+01 2.04 2.144329165e+01 2.144329165e+01 2.06 1.939813064e+01 1.939813064e+01 2.08 1.749205999e+01 1.749205999e+01 2.10 1.571579603e+01 1.571579603e+01 2.12 1.406060532e+01 1.406060532e+01 2.14 1.251828815e+01 1.251828815e+01 2.16 1.108117055e+01 1.108117055e+01 2.18 9.742094027e+00 9.742094027e+00 2.20 8.494419289e+00 8.494419289e+00 2.22 7.331998792e+00 7.331998792e+00 2.24 6.249154626e+00 6.249154626e+00 2.26 5.240660607e+00 5.240660607e+00 2.28 4.301714294e+00 4.301714294e+00 2.30 3.427939714e+00 3.427939714e+00 2.32 2.615338232e+00 2.615338232e+00 2.34 1.860240703e+00 1.860240703e+00 2.36 1.159247252e+00 1.159247252e+00 2.38 5.091677767e-01 5.091677767e-01 2.40 -9.302650330e-02 -9.302650330e-02 2.42 -6.502444080e-01 -6.502444080e-01 2.44 -1.165286807e+00 -1.165286807e+00 2.46 -1.640856247e+00 -1.640856247e+00 2.48 -2.079543799e+00 -2.079543799e+00 2.50 -2.483809740e+00 -2.483809740e+00 2.52 -2.855965929e+00 -2.855965929e+00 2.54 -3.198166814e+00 -3.198166814e+00 2.56 -3.512410296e+00 -3.512410296e+00 2.58 -3.800545459e+00 -3.800545459e+00 2.60 -4.064283550e+00 -4.064283550e+00 2.62 -4.305208364e+00 -4.305208364e+00 2.64 -4.524794174e+00 -4.524794174e+00 2.66 -4.724406847e+00 -4.724406847e+00 2.68 -4.905321755e+00 -4.905321755e+00 2.70 -5.068731938e+00 -5.068731938e+00 2.72 -5.215756759e+00 -5.215756759e+00 2.74 -5.347447798e+00 -5.347447798e+00 2.76 -5.464791087e+00 -5.464791087e+00 2.78 -5.568709217e+00 -5.568709217e+00 2.80 -5.660170400e+00 -5.660170400e+00 2.82 -5.739892946e+00 -5.739892946e+00 2.84 -5.808478799e+00 -5.808478799e+00 2.86 -5.866489559e+00 -5.866489559e+00 2.88 -5.914447486e+00 -5.914447486e+00 2.90 -5.952823690e+00 -5.952823690e+00 2.92 -5.981983388e+00 -5.981983388e+00 2.94 -6.002413657e+00 -6.002413657e+00 2.96 -6.014569213e+00 -6.014569213e+00 2.98 -6.018672832e+00 -6.018672832e+00 3.00 -6.014890337e+00 -6.014890337e+00 3.02 -6.003425687e+00 -6.003425687e+00 3.04 -5.984512257e+00 -5.984512257e+00 3.06 -5.958422461e+00 -5.958422461e+00 3.08 -5.925439121e+00 -5.925439121e+00 3.10 -5.885854063e+00 -5.885854063e+00 3.12 -5.839919692e+00 -5.839919692e+00 3.14 -5.787868126e+00 -5.787868126e+00 3.16 -5.729853723e+00 -5.729853723e+00 3.18 -5.666085344e+00 -5.666085344e+00 3.20 -5.596814661e+00 -5.596814661e+00 3.22 -5.522328962e+00 -5.522328962e+00 3.24 -5.442946871e+00 -5.442946871e+00 3.26 -5.359016879e+00 -5.359016879e+00 3.28 -5.270917433e+00 -5.270917433e+00 3.30 -5.179053341e+00 -5.179053341e+00 3.32 -5.083854867e+00 -5.083854867e+00 3.34 -4.985776213e+00 -4.985776213e+00 3.36 -4.885287155e+00 -4.885287155e+00 3.38 -4.782863362e+00 -4.782863362e+00 3.40 -4.678975782e+00 -4.678975782e+00 3.42 -4.574090400e+00 -4.574090400e+00 3.44 -4.468652011e+00 -4.468652011e+00 3.46 -4.363087659e+00 -4.363087659e+00 3.48 -4.257800251e+00 -4.257800251e+00 3.50 -4.153163623e+00 -4.153163623e+00 3.52 -4.049517030e+00 -4.049517030e+00 3.54 -3.947159664e+00 -3.947159664e+00 3.56 -3.846346003e+00 -3.846346003e+00 3.58 -3.747282774e+00 -3.747282774e+00 3.60 -3.650128005e+00 -3.650128005e+00 3.62 -3.554992324e+00 -3.554992324e+00 3.64 -3.461942334e+00 -3.461942334e+00 3.66 -3.371005720e+00 -3.371005720e+00 3.68 -3.282177621e+00 -3.282177621e+00 3.70 -3.195427811e+00 -3.195427811e+00 3.72 -3.110708281e+00 -3.110708281e+00 3.74 -3.027960855e+00 -3.027960855e+00 3.76 -2.947124487e+00 -2.947124487e+00 3.78 -2.868141887e+00 -2.868141887e+00 3.80 -2.790965029e+00 -2.790965029e+00 3.82 -2.715559047e+00 -2.715559047e+00 3.84 -2.641904047e+00 -2.641904047e+00 3.86 -2.569994500e+00 -2.569994500e+00 3.88 -2.499836204e+00 -2.499836204e+00 3.90 -2.431441235e+00 -2.431441235e+00 3.92 -2.364818234e+00 -2.364818234e+00 3.94 -2.299981124e+00 -2.299981124e+00 3.96 -2.236920601e+00 -2.236920601e+00 3.98 -2.175617721e+00 -2.175617721e+00 4.00 -2.116038757e+00 -2.116038757e+00 4.02 -2.058136548e+00 -2.058136548e+00 4.04 -2.001853342e+00 -2.001853342e+00 4.06 -1.947124399e+00 -1.947124399e+00 4.08 -1.893881685e+00 -1.893881685e+00 4.10 -1.842048987e+00 -1.842048987e+00 4.12 -1.791578932e+00 -1.791578932e+00 4.14 -1.742400781e+00 -1.742400781e+00 4.16 -1.694459805e+00 -1.694459805e+00 4.18 -1.647707851e+00 -1.647707851e+00 4.20 -1.602103568e+00 -1.602103568e+00 4.22 -1.557612261e+00 -1.557612261e+00 4.24 -1.514205469e+00 -1.514205469e+00 4.26 -1.471860299e+00 -1.471860299e+00 4.28 -1.430558571e+00 -1.430558571e+00 4.30 -1.390285810e+00 -1.390285810e+00 4.32 -1.351030138e+00 -1.351030138e+00 4.34 -1.312781120e+00 -1.312781120e+00 4.36 -1.275528638e+00 -1.275528638e+00 4.38 -1.239261885e+00 -1.239261885e+00 4.40 -1.203968530e+00 -1.203968530e+00 4.42 -1.169634124e+00 -1.169634124e+00 4.44 -1.136241760e+00 -1.136241760e+00 4.46 -1.103771989e+00 -1.103771989e+00 4.48 -1.072202950e+00 -1.072202950e+00 4.50 -1.041510671e+00 -1.041510671e+00 4.52 -1.011669473e+00 -1.011669473e+00 4.54 -9.826524251e-01 -9.826524251e-01 4.56 -9.544318059e-01 -9.544318059e-01 4.58 -9.269795284e-01 -9.269795284e-01 4.60 -9.002675186e-01 -9.002675186e-01 4.62 -8.742680357e-01 -8.742680357e-01 4.64 -8.489539385e-01 -8.489539385e-01 4.66 -8.242989058e-01 -8.242989058e-01 4.68 -8.002776234e-01 -8.002776234e-01 4.70 -7.768659490e-01 -7.768659490e-01 4.72 -7.540410649e-01 -7.540410649e-01 4.74 -7.317816273e-01 -7.317816273e-01 4.76 -7.100679144e-01 -7.100679144e-01 4.78 -6.888819721e-01 -6.888819721e-01 4.80 -6.682016020e-01 -6.682016020e-01 4.82 -6.480261264e-01 -6.480261264e-01 4.84 -6.283362662e-01 -6.283362662e-01 4.86 -6.091222979e-01 -6.091222979e-01 4.88 -5.903766118e-01 -5.903766118e-01 4.90 -5.720935944e-01 -5.720935944e-01 4.92 -5.542694111e-01 -5.542694111e-01 4.94 -5.369016846e-01 -5.369016846e-01 4.96 -5.199890737e-01 -5.199890737e-01 4.98 -5.035307693e-01 -5.035307693e-01 5.00 -4.875259383e-01 -4.875259383e-01 5.02 -4.719731535e-01 -4.719731535e-01 5.04 -4.568698542e-01 -4.568698542e-01 5.06 -4.422118821e-01 -4.422118821e-01 5.08 -4.279931307e-01 -4.279931307e-01 5.10 -4.142053355e-01 -4.142053355e-01 5.12 -4.008380182e-01 -4.008380182e-01 5.14 -3.878785851e-01 -3.878785851e-01 5.16 -3.753125637e-01 -3.753125637e-01 5.18 -3.631239569e-01 -3.631239569e-01 5.20 -3.512956847e-01 -3.512956847e-01 5.22 -3.398100858e-01 -3.398100858e-01 5.24 -3.286494492e-01 -3.286494492e-01 5.26 -3.177965532e-01 -3.177965532e-01 5.28 -3.072351882e-01 -3.072351882e-01 5.30 -2.969506453e-01 -2.969506453e-01 5.32 -2.869301507e-01 -2.869301507e-01 5.34 -2.771632273e-01 -2.771632273e-01 5.36 -2.676419615e-01 -2.676419615e-01 5.38 -2.583611545e-01 -2.583611545e-01 5.40 -2.493183371e-01 -2.493183371e-01 5.42 -2.405136314e-01 -2.405136314e-01 5.44 -2.319494528e-01 -2.319494528e-01 5.46 -2.236300576e-01 -2.236300576e-01 5.48 -2.155609577e-01 -2.155609577e-01 5.50 -2.077482388e-01 -2.077482388e-01 5.52 -2.001978369e-01 -2.001978369e-01 5.54 -1.929148302e-01 -1.929148302e-01 5.56 -1.859028082e-01 -1.859028082e-01 5.58 -1.791633675e-01 -1.791633675e-01 5.60 -1.726956409e-01 -1.726956409e-01 5.62 -1.664961391e-01 -1.664961391e-01 5.64 -1.605593791e-01 -1.605593791e-01 5.66 -1.548775137e-01 -1.548775137e-01 5.68 -1.494405984e-01 -1.494405984e-01 5.70 -1.442369684e-01 -1.442369684e-01 5.72 -1.392536497e-01 -1.392536497e-01 5.74 -1.344767653e-01 -1.344767653e-01 5.76 -1.298919121e-01 -1.298919121e-01 5.78 -1.254844883e-01 -1.254844883e-01 5.80 -1.212399643e-01 -1.212399643e-01 5.82 -1.171440934e-01 -1.171440934e-01 5.84 -1.131830688e-01 -1.131830688e-01 5.86 -1.093436320e-01 -1.093436320e-01 5.88 -1.056131441e-01 -1.056131441e-01 5.90 -1.019796278e-01 -1.019796278e-01 5.92 -9.843179228e-02 -9.843179228e-02 5.94 -9.495904819e-02 -9.495904819e-02 5.96 -9.155152133e-02 -9.155152133e-02 5.98 -8.820007169e-02 -8.820007169e-02 6.00 -8.489632267e-02 -8.489632267e-02