# 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 = Co2PbTi # 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 2.485814406e+02 2.485814406e+02 1.30 2.305380533e+02 2.305380533e+02 1.32 2.138321384e+02 2.138321384e+02 1.34 1.983536974e+02 1.983536974e+02 1.36 1.840028200e+02 1.840028200e+02 1.38 1.706891521e+02 1.706891521e+02 1.40 1.583312126e+02 1.583312126e+02 1.42 1.468554637e+02 1.468554637e+02 1.44 1.361951283e+02 1.361951283e+02 1.46 1.262892045e+02 1.262892045e+02 1.48 1.170818045e+02 1.170818045e+02 1.50 1.085215385e+02 1.085215385e+02 1.52 1.005609067e+02 1.005609067e+02 1.54 9.315583093e+01 9.315583093e+01 1.56 8.626535618e+01 8.626535618e+01 1.58 7.985149798e+01 7.985149798e+01 1.60 7.387917012e+01 7.387917012e+01 1.62 6.831616522e+01 6.831616522e+01 1.64 6.313311127e+01 6.313311127e+01 1.66 5.830331802e+01 5.830331802e+01 1.68 5.380240511e+01 5.380240511e+01 1.70 4.960780228e+01 4.960780228e+01 1.72 4.569851223e+01 4.569851223e+01 1.74 4.206051144e+01 4.206051144e+01 1.76 3.867791732e+01 3.867791732e+01 1.78 3.553201391e+01 3.553201391e+01 1.80 3.260559255e+01 3.260559255e+01 1.82 2.988301849e+01 2.988301849e+01 1.84 2.735015680e+01 2.735015680e+01 1.86 2.499417709e+01 2.499417709e+01 1.88 2.280331123e+01 2.280331123e+01 1.90 2.076661679e+01 2.076661679e+01 1.92 1.887380310e+01 1.887380310e+01 1.94 1.711515065e+01 1.711515065e+01 1.96 1.548150337e+01 1.548150337e+01 1.98 1.396429245e+01 1.396429245e+01 2.00 1.255552802e+01 1.255552802e+01 2.02 1.124775151e+01 1.124775151e+01 2.04 1.003398015e+01 1.003398015e+01 2.06 8.907678406e+00 8.907678406e+00 2.08 7.862759360e+00 7.862759360e+00 2.10 6.893596876e+00 6.893596876e+00 2.12 5.995022409e+00 5.995022409e+00 2.14 5.162294773e+00 5.162294773e+00 2.16 4.391055506e+00 4.391055506e+00 2.18 3.677284010e+00 3.677284010e+00 2.20 3.017257691e+00 3.017257691e+00 2.22 2.407518098e+00 2.407518098e+00 2.24 1.844834551e+00 1.844834551e+00 2.26 1.326165589e+00 1.326165589e+00 2.28 8.486201121e-01 8.486201121e-01 2.30 4.094350044e-01 4.094350044e-01 2.32 5.961629878e-03 5.961629878e-03 2.34 -3.643198080e-01 -3.643198080e-01 2.36 -7.037862641e-01 -7.037862641e-01 2.38 -1.014656446e+00 -1.014656446e+00 2.40 -1.298986748e+00 -1.298986748e+00 2.42 -1.558677653e+00 -1.558677653e+00 2.44 -1.795486660e+00 -1.795486660e+00 2.46 -2.011042098e+00 -2.011042098e+00 2.48 -2.206854889e+00 -2.206854889e+00 2.50 -2.384327072e+00 -2.384327072e+00 2.52 -2.544758677e+00 -2.544758677e+00 2.54 -2.689406295e+00 -2.689406295e+00 2.56 -2.819371986e+00 -2.819371986e+00 2.58 -2.935638512e+00 -2.935638512e+00 2.60 -3.039212866e+00 -3.039212866e+00 2.62 -3.130953229e+00 -3.130953229e+00 2.64 -3.211620243e+00 -3.211620243e+00 2.66 -3.281936173e+00 -3.281936173e+00 2.68 -3.342576200e+00 -3.342576200e+00 2.70 -3.394092664e+00 -3.394092664e+00 2.72 -3.436958694e+00 -3.436958694e+00 2.74 -3.471645042e+00 -3.471645042e+00 2.76 -3.498614147e+00 -3.498614147e+00 2.78 -3.518249917e+00 -3.518249917e+00 2.80 -3.530888388e+00 -3.530888388e+00 2.82 -3.536876127e+00 -3.536876127e+00 2.84 -3.536566307e+00 -3.536566307e+00 2.86 -3.530313872e+00 -3.530313872e+00 2.88 -3.518472771e+00 -3.518472771e+00 2.90 -3.501395065e+00 -3.501395065e+00 2.92 -3.479431841e+00 -3.479431841e+00 2.94 -3.452935844e+00 -3.452935844e+00 2.96 -3.422265470e+00 -3.422265470e+00 2.98 -3.387789202e+00 -3.387789202e+00 3.00 -3.349888773e+00 -3.349888773e+00 3.02 -3.308958774e+00 -3.308958774e+00 3.04 -3.265400125e+00 -3.265400125e+00 3.06 -3.219611474e+00 -3.219611474e+00 3.08 -3.171969509e+00 -3.171969509e+00 3.10 -3.122817690e+00 -3.122817690e+00 3.12 -3.072455626e+00 -3.072455626e+00 3.14 -3.021170668e+00 -3.021170668e+00 3.16 -2.969155559e+00 -2.969155559e+00 3.18 -2.916546456e+00 -2.916546456e+00 3.20 -2.863460368e+00 -2.863460368e+00 3.22 -2.810001089e+00 -2.810001089e+00 3.24 -2.756263287e+00 -2.756263287e+00 3.26 -2.702334725e+00 -2.702334725e+00 3.28 -2.648297107e+00 -2.648297107e+00 3.30 -2.594222781e+00 -2.594222781e+00 3.32 -2.540170216e+00 -2.540170216e+00 3.34 -2.486194442e+00 -2.486194442e+00 3.36 -2.432348583e+00 -2.432348583e+00 3.38 -2.378684181e+00 -2.378684181e+00 3.40 -2.325251505e+00 -2.325251505e+00 3.42 -2.272100898e+00 -2.272100898e+00 3.44 -2.219282403e+00 -2.219282403e+00 3.46 -2.166847350e+00 -2.166847350e+00 3.48 -2.114848849e+00 -2.114848849e+00 3.50 -2.063342152e+00 -2.063342152e+00 3.52 -2.012384414e+00 -2.012384414e+00 3.54 -1.962033632e+00 -1.962033632e+00 3.56 -1.912346687e+00 -1.912346687e+00 3.58 -1.863376722e+00 -1.863376722e+00 3.60 -1.815170339e+00 -1.815170339e+00 3.62 -1.767765232e+00 -1.767765232e+00 3.64 -1.721188854e+00 -1.721188854e+00 3.66 -1.675458418e+00 -1.675458418e+00 3.68 -1.630582155e+00 -1.630582155e+00 3.70 -1.586561466e+00 -1.586561466e+00 3.72 -1.543393414e+00 -1.543393414e+00 3.74 -1.501073031e+00 -1.501073031e+00 3.76 -1.459595072e+00 -1.459595072e+00 3.78 -1.418955069e+00 -1.418955069e+00 3.80 -1.379149701e+00 -1.379149701e+00 3.82 -1.340176646e+00 -1.340176646e+00 3.84 -1.302034117e+00 -1.302034117e+00 3.86 -1.264720288e+00 -1.264720288e+00 3.88 -1.228232728e+00 -1.228232728e+00 3.90 -1.192567959e+00 -1.192567959e+00 3.92 -1.157720692e+00 -1.157720692e+00 3.94 -1.123685457e+00 -1.123685457e+00 3.96 -1.090453654e+00 -1.090453654e+00 3.98 -1.058015562e+00 -1.058015562e+00 4.00 -1.026359878e+00 -1.026359878e+00 4.02 -9.954738408e-01 -9.954738408e-01 4.04 -9.653434202e-01 -9.653434202e-01 4.06 -9.359535732e-01 -9.359535732e-01 4.08 -9.072885702e-01 -9.072885702e-01 4.10 -8.793313986e-01 -8.793313986e-01 4.12 -8.520684301e-01 -8.520684301e-01 4.14 -8.254833808e-01 -8.254833808e-01 4.16 -7.995625194e-01 -7.995625194e-01 4.18 -7.742940159e-01 -7.742940159e-01 4.20 -7.496684373e-01 -7.496684373e-01 4.22 -7.256790811e-01 -7.256790811e-01 4.24 -7.023220584e-01 -7.023220584e-01 4.26 -6.795960538e-01 -6.795960538e-01 4.28 -6.575017271e-01 -6.575017271e-01 4.30 -6.360407833e-01 -6.360407833e-01 4.32 -6.152148041e-01 -6.152148041e-01 4.34 -5.950239945e-01 -5.950239945e-01 4.36 -5.754660243e-01 -5.754660243e-01 4.38 -5.565351343e-01 -5.565351343e-01 4.40 -5.382216201e-01 -5.382216201e-01 4.42 -5.205117329e-01 -5.205117329e-01 4.44 -5.033879580e-01 -5.033879580e-01 4.46 -4.868295734e-01 -4.868295734e-01 4.48 -4.708133675e-01 -4.708133675e-01 4.50 -4.553143963e-01 -4.553143963e-01 4.52 -4.403066876e-01 -4.403066876e-01 4.54 -4.257638344e-01 -4.257638344e-01 4.56 -4.116594536e-01 -4.116594536e-01 4.58 -3.979675137e-01 -3.979675137e-01 4.60 -3.846625539e-01 -3.846625539e-01 4.62 -3.717198240e-01 -3.717198240e-01 4.64 -3.591153826e-01 -3.591153826e-01 4.66 -3.468261833e-01 -3.468261833e-01 4.68 -3.348301812e-01 -3.348301812e-01 4.70 -3.231064833e-01 -3.231064833e-01 4.72 -3.116355603e-01 -3.116355603e-01 4.74 -3.003995336e-01 -3.003995336e-01 4.76 -2.893825390e-01 -2.893825390e-01 4.78 -2.785711601e-01 -2.785711601e-01 4.80 -2.679541115e-01 -2.679541115e-01 4.82 -2.575260653e-01 -2.575260653e-01 4.84 -2.472829107e-01 -2.472829107e-01 4.86 -2.372257465e-01 -2.372257465e-01 4.88 -2.273601256e-01 -2.273601256e-01 4.90 -2.176960129e-01 -2.176960129e-01 4.92 -2.082474485e-01 -2.082474485e-01 4.94 -1.990318863e-01 -1.990318863e-01 4.96 -1.900692198e-01 -1.900692198e-01 4.98 -1.813805502e-01 -1.813805502e-01 5.00 -1.729867974e-01 -1.729867974e-01 5.02 -1.649072830e-01 -1.649072830e-01 5.04 -1.571584232e-01 -1.571584232e-01 5.06 -1.497526724e-01 -1.497526724e-01 5.08 -1.426978042e-01 -1.426978042e-01 5.10 -1.359965794e-01 -1.359965794e-01 5.12 -1.296467913e-01 -1.296467913e-01 5.14 -1.236416517e-01 -1.236416517e-01 5.16 -1.179704328e-01 -1.179704328e-01 5.18 -1.126190606e-01 -1.126190606e-01 5.20 -1.075708217e-01 -1.075708217e-01 5.22 -1.028086415e-01 -1.028086415e-01 5.24 -9.831457999e-02 -9.831457999e-02 5.26 -9.407041324e-02 -9.407041324e-02 5.28 -9.005818356e-02 -9.005818356e-02 5.30 -8.626056890e-02 -8.626056890e-02 5.32 -8.266098318e-02 -8.266098318e-02 5.34 -7.924399089e-02 -7.924399089e-02 5.36 -7.599519939e-02 -7.599519939e-02 5.38 -7.290114213e-02 -7.290114213e-02 5.40 -6.994921343e-02 -6.994921343e-02 5.42 -6.712759299e-02 -6.712759299e-02 5.44 -6.442517553e-02 -6.442517553e-02 5.46 -6.183151545e-02 -6.183151545e-02 5.48 -5.933679137e-02 -5.933679137e-02 5.50 -5.693179202e-02 -5.693179202e-02 5.52 -5.460792222e-02 -5.460792222e-02 5.54 -5.235722632e-02 -5.235722632e-02 5.56 -5.017242567e-02 -5.017242567e-02 5.58 -4.804696595e-02 -4.804696595e-02 5.60 -4.597507010e-02 -4.597507010e-02 5.62 -4.395179206e-02 -4.395179206e-02 5.64 -4.197306615e-02 -4.197306615e-02 5.66 -4.003574598e-02 -4.003574598e-02 5.68 -3.813762698e-02 -3.813762698e-02 5.70 -3.627744589e-02 -3.627744589e-02 5.72 -3.445485170e-02 -3.445485170e-02 5.74 -3.267034359e-02 -3.267034359e-02 5.76 -3.092517393e-02 -3.092517393e-02 5.78 -2.922121780e-02 -2.922121780e-02 5.80 -2.756081390e-02 -2.756081390e-02 5.82 -2.594658592e-02 -2.594658592e-02 5.84 -2.438125615e-02 -2.438125615e-02 5.86 -2.286746528e-02 -2.286746528e-02 5.88 -2.140761121e-02 -2.140761121e-02 5.90 -2.000371984e-02 -2.000371984e-02 5.92 -1.865735522e-02 -1.865735522e-02 5.94 -1.736957254e-02 -1.736957254e-02 5.96 -1.614091257e-02 -1.614091257e-02 5.98 -1.497143180e-02 -1.497143180e-02 6.00 -1.386075939e-02 -1.386075939e-02