# 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 = Cu2MgPt # 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 2.159211762e+02 2.159211762e+02 1.30 1.997145112e+02 1.997145112e+02 1.32 1.846754940e+02 1.846754940e+02 1.34 1.707252517e+02 1.707252517e+02 1.36 1.577916328e+02 1.577916328e+02 1.38 1.458012043e+02 1.458012043e+02 1.40 1.346769124e+02 1.346769124e+02 1.42 1.243414318e+02 1.243414318e+02 1.44 1.147228180e+02 1.147228180e+02 1.46 1.057593609e+02 1.057593609e+02 1.48 9.740137150e+01 9.740137150e+01 1.50 8.960902724e+01 8.960902724e+01 1.52 8.234765949e+01 8.234765949e+01 1.54 7.558338284e+01 7.558338284e+01 1.56 6.928115651e+01 6.928115651e+01 1.58 6.340526025e+01 6.340526025e+01 1.60 5.792804164e+01 5.792804164e+01 1.62 5.287079381e+01 5.287079381e+01 1.64 4.820784525e+01 4.820784525e+01 1.66 4.390643799e+01 4.390643799e+01 1.68 3.993902993e+01 3.993902993e+01 1.70 3.628239275e+01 3.628239275e+01 1.72 3.291631105e+01 3.291631105e+01 1.74 2.982213659e+01 2.982213659e+01 1.76 2.698164032e+01 2.698164032e+01 1.78 2.437650274e+01 2.437650274e+01 1.80 2.198842871e+01 2.198842871e+01 1.82 1.979957098e+01 1.979957098e+01 1.84 1.779291044e+01 1.779291044e+01 1.86 1.595244469e+01 1.595244469e+01 1.88 1.426322257e+01 1.426322257e+01 1.90 1.271136689e+01 1.271136689e+01 1.92 1.128416950e+01 1.128416950e+01 1.94 9.970250243e+00 9.970250243e+00 1.96 8.759683437e+00 8.759683437e+00 1.98 7.644009394e+00 7.644009394e+00 2.00 6.616089992e+00 6.616089992e+00 2.02 5.669837575e+00 5.669837575e+00 2.04 4.799899524e+00 4.799899524e+00 2.06 4.001381948e+00 4.001381948e+00 2.08 3.269658730e+00 3.269658730e+00 2.10 2.600269484e+00 2.600269484e+00 2.12 1.988890042e+00 1.988890042e+00 2.14 1.431348314e+00 1.431348314e+00 2.16 9.236625683e-01 9.236625683e-01 2.18 4.620782217e-01 4.620782217e-01 2.20 4.309060227e-02 4.309060227e-02 2.22 -3.365518559e-01 -3.365518559e-01 2.24 -6.798582852e-01 -6.798582852e-01 2.26 -9.896169722e-01 -9.896169722e-01 2.28 -1.268522199e+00 -1.268522199e+00 2.30 -1.520418303e+00 -1.520418303e+00 2.32 -1.747648686e+00 -1.747648686e+00 2.34 -1.951909037e+00 -1.951909037e+00 2.36 -2.134840605e+00 -2.134840605e+00 2.38 -2.298003449e+00 -2.298003449e+00 2.40 -2.442858739e+00 -2.442858739e+00 2.42 -2.570769273e+00 -2.570769273e+00 2.44 -2.683015015e+00 -2.683015015e+00 2.46 -2.780816249e+00 -2.780816249e+00 2.48 -2.865354389e+00 -2.865354389e+00 2.50 -2.937785356e+00 -2.937785356e+00 2.52 -2.999241349e+00 -2.999241349e+00 2.54 -3.050817907e+00 -3.050817907e+00 2.56 -3.093546925e+00 -3.093546925e+00 2.58 -3.128363143e+00 -3.128363143e+00 2.60 -3.156136921e+00 -3.156136921e+00 2.62 -3.177957258e+00 -3.177957258e+00 2.64 -3.194049886e+00 -3.194049886e+00 2.66 -3.204475109e+00 -3.204475109e+00 2.68 -3.209337158e+00 -3.209337158e+00 2.70 -3.208791031e+00 -3.208791031e+00 2.72 -3.203040606e+00 -3.203040606e+00 2.74 -3.192327008e+00 -3.192327008e+00 2.76 -3.176910013e+00 -3.176910013e+00 2.78 -3.157065923e+00 -3.157065923e+00 2.80 -3.133082900e+00 -3.133082900e+00 2.82 -3.105216461e+00 -3.105216461e+00 2.84 -3.073692013e+00 -3.073692013e+00 2.86 -3.038720788e+00 -3.038720788e+00 2.88 -3.000521213e+00 -3.000521213e+00 2.90 -2.959340964e+00 -2.959340964e+00 2.92 -2.915475003e+00 -2.915475003e+00 2.94 -2.869275234e+00 -2.869275234e+00 2.96 -2.821148473e+00 -2.821148473e+00 2.98 -2.771541548e+00 -2.771541548e+00 3.00 -2.720915405e+00 -2.720915405e+00 3.02 -2.669713317e+00 -2.669713317e+00 3.04 -2.618356938e+00 -2.618356938e+00 3.06 -2.567294821e+00 -2.567294821e+00 3.08 -2.516873436e+00 -2.516873436e+00 3.10 -2.467312453e+00 -2.467312453e+00 3.12 -2.418725528e+00 -2.418725528e+00 3.14 -2.371146582e+00 -2.371146582e+00 3.16 -2.324553211e+00 -2.324553211e+00 3.18 -2.278888100e+00 -2.278888100e+00 3.20 -2.234074406e+00 -2.234074406e+00 3.22 -2.190029772e+00 -2.190029772e+00 3.24 -2.146682315e+00 -2.146682315e+00 3.26 -2.103939578e+00 -2.103939578e+00 3.28 -2.061715766e+00 -2.061715766e+00 3.30 -2.019938422e+00 -2.019938422e+00 3.32 -1.978549652e+00 -1.978549652e+00 3.34 -1.937506521e+00 -1.937506521e+00 3.36 -1.896780741e+00 -1.896780741e+00 3.38 -1.856357734e+00 -1.856357734e+00 3.40 -1.816234775e+00 -1.816234775e+00 3.42 -1.776408395e+00 -1.776408395e+00 3.44 -1.736870827e+00 -1.736870827e+00 3.46 -1.697624400e+00 -1.697624400e+00 3.48 -1.658679491e+00 -1.658679491e+00 3.50 -1.620051641e+00 -1.620051641e+00 3.52 -1.581758938e+00 -1.581758938e+00 3.54 -1.543819814e+00 -1.543819814e+00 3.56 -1.506251318e+00 -1.506251318e+00 3.58 -1.469067923e+00 -1.469067923e+00 3.60 -1.432280877e+00 -1.432280877e+00 3.62 -1.395898092e+00 -1.395898092e+00 3.64 -1.359924530e+00 -1.359924530e+00 3.66 -1.324363046e+00 -1.324363046e+00 3.68 -1.289215619e+00 -1.289215619e+00 3.70 -1.254484873e+00 -1.254484873e+00 3.72 -1.220175742e+00 -1.220175742e+00 3.74 -1.186297089e+00 -1.186297089e+00 3.76 -1.152863053e+00 -1.152863053e+00 3.78 -1.119893836e+00 -1.119893836e+00 3.80 -1.087415697e+00 -1.087415697e+00 3.82 -1.055459972e+00 -1.055459972e+00 3.84 -1.024061068e+00 -1.024061068e+00 3.86 -9.932535887e-01 -9.932535887e-01 3.88 -9.630689184e-01 -9.630689184e-01 3.90 -9.335317416e-01 -9.335317416e-01 3.92 -9.046569861e-01 -9.046569861e-01 3.94 -8.764479630e-01 -8.764479630e-01 3.96 -8.488951993e-01 -8.488951993e-01 3.98 -8.219771817e-01 -8.219771817e-01 4.00 -7.956620144e-01 -7.956620144e-01 4.02 -7.699100999e-01 -7.699100999e-01 4.04 -7.446774384e-01 -7.446774384e-01 4.06 -7.199191954e-01 -7.199191954e-01 4.08 -6.955932190e-01 -6.955932190e-01 4.10 -6.716629696e-01 -6.716629696e-01 4.12 -6.481012314e-01 -6.481012314e-01 4.14 -6.248902595e-01 -6.248902595e-01 4.16 -6.020239446e-01 -6.020239446e-01 4.18 -5.795074369e-01 -5.795074369e-01 4.20 -5.573560957e-01 -5.573560957e-01 4.22 -5.355935655e-01 -5.355935655e-01 4.24 -5.142492233e-01 -5.142492233e-01 4.26 -4.933553429e-01 -4.933553429e-01 4.28 -4.729443575e-01 -4.729443575e-01 4.30 -4.530465667e-01 -4.530465667e-01 4.32 -4.336885191e-01 -4.336885191e-01 4.34 -4.148921483e-01 -4.148921483e-01 4.36 -3.966745753e-01 -3.966745753e-01 4.38 -3.790483687e-01 -3.790483687e-01 4.40 -3.620219921e-01 -3.620219921e-01 4.42 -3.456001871e-01 -3.456001871e-01 4.44 -3.297841151e-01 -3.297841151e-01 4.46 -3.145711933e-01 -3.145711933e-01 4.48 -2.999546755e-01 -2.999546755e-01 4.50 -2.859231166e-01 -2.859231166e-01 4.52 -2.724599029e-01 -2.724599029e-01 4.54 -2.595430283e-01 -2.595430283e-01 4.56 -2.471452478e-01 -2.471452478e-01 4.58 -2.352346757e-01 -2.352346757e-01 4.60 -2.237758179e-01 -2.237758179e-01 4.62 -2.127309703e-01 -2.127309703e-01 4.64 -2.020618736e-01 -2.020618736e-01 4.66 -1.917314958e-01 -1.917314958e-01 4.68 -1.817057753e-01 -1.817057753e-01 4.70 -1.719552821e-01 -1.719552821e-01 4.72 -1.624566175e-01 -1.624566175e-01 4.74 -1.531928303e-01 -1.531928303e-01 4.76 -1.441550042e-01 -1.441550042e-01 4.78 -1.353433892e-01 -1.353433892e-01 4.80 -1.267651277e-01 -1.267651277e-01 4.82 -1.184344969e-01 -1.184344969e-01 4.84 -1.103704091e-01 -1.103704091e-01 4.86 -1.025957795e-01 -1.025957795e-01 4.88 -9.513540855e-02 -9.513540855e-02 4.90 -8.801400499e-02 -8.801400499e-02 4.92 -8.125427998e-02 -8.125427998e-02 4.94 -7.487539459e-02 -7.487539459e-02 4.96 -6.889148416e-02 -6.889148416e-02 4.98 -6.331075826e-02 -6.331075826e-02 5.00 -5.813528224e-02 -5.813528224e-02 5.02 -5.336105841e-02 -5.336105841e-02 5.04 -4.897848963e-02 -4.897848963e-02 5.06 -4.497312645e-02 -4.497312645e-02 5.08 -4.132658980e-02 -4.132658980e-02 5.10 -3.801756660e-02 -3.801756660e-02 5.12 -3.502279185e-02 -3.502279185e-02 5.14 -3.231795273e-02 -3.231795273e-02 5.16 -2.987847283e-02 -2.987847283e-02 5.18 -2.768015560e-02 -2.768015560e-02 5.20 -2.569968294e-02 -2.569968294e-02 5.22 -2.391497688e-02 -2.391497688e-02 5.24 -2.230543884e-02 -2.230543884e-02 5.26 -2.085208732e-02 -2.085208732e-02 5.28 -1.953761332e-02 -1.953761332e-02 5.30 -1.834637253e-02 -1.834637253e-02 5.32 -1.726433156e-02 -1.726433156e-02 5.34 -1.627898252e-02 -1.627898252e-02 5.36 -1.537923765e-02 -1.537923765e-02 5.38 -1.455531273e-02 -1.455531273e-02 5.40 -1.379860632e-02 -1.379860632e-02 5.42 -1.310157930e-02 -1.310157930e-02 5.44 -1.245761609e-02 -1.245761609e-02 5.46 -1.186091924e-02 -1.186091924e-02 5.48 -1.130648215e-02 -1.130648215e-02 5.50 -1.078993197e-02 -1.078993197e-02 5.52 -1.030744280e-02 -1.030744280e-02 5.54 -9.855660257e-03 -9.855660257e-03 5.56 -9.431634723e-03 -9.431634723e-03 5.58 -9.032763062e-03 -9.032763062e-03 5.60 -8.656738513e-03 -8.656738513e-03 5.62 -8.301508084e-03 -8.301508084e-03 5.64 -7.965236672e-03 -7.965236672e-03 5.66 -7.646277077e-03 -7.646277077e-03 5.68 -7.343144977e-03 -7.343144977e-03 5.70 -7.054498039e-03 -7.054498039e-03 5.72 -6.779118360e-03 -6.779118360e-03 5.74 -6.515897589e-03 -6.515897589e-03 5.76 -6.263824189e-03 -6.263824189e-03 5.78 -6.021972434e-03 -6.021972434e-03 5.80 -5.789492837e-03 -5.789492837e-03 5.82 -5.565603810e-03 -5.565603810e-03 5.84 -5.349584416e-03 -5.349584416e-03 5.86 -5.140768151e-03 -5.140768151e-03 5.88 -4.938537692e-03 -4.938537692e-03 5.90 -4.742320630e-03 -4.742320630e-03 5.92 -4.551586154e-03 -4.551586154e-03 5.94 -4.365842720e-03 -4.365842720e-03 5.96 -4.184636704e-03 -4.184636704e-03 5.98 -4.007552037e-03 -4.007552037e-03 6.00 -3.834210814e-03 -3.834210814e-03