# 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 = CuPdPt2 # 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 2.987269453e+02 2.987269453e+02 1.30 2.779231465e+02 2.779231465e+02 1.32 2.585111646e+02 2.585111646e+02 1.34 2.403966765e+02 2.403966765e+02 1.36 2.234868040e+02 2.234868040e+02 1.38 2.076915309e+02 2.076915309e+02 1.40 1.929287264e+02 1.929287264e+02 1.42 1.791273242e+02 1.791273242e+02 1.44 1.662240881e+02 1.662240881e+02 1.46 1.541583110e+02 1.541583110e+02 1.48 1.428708388e+02 1.428708388e+02 1.50 1.323060246e+02 1.323060246e+02 1.52 1.224118645e+02 1.224118645e+02 1.54 1.131381388e+02 1.131381388e+02 1.56 1.044355803e+02 1.044355803e+02 1.58 9.625709833e+01 9.625709833e+01 1.60 8.855949082e+01 8.855949082e+01 1.62 8.130415561e+01 8.130415561e+01 1.64 7.445685304e+01 7.445685304e+01 1.66 6.798749735e+01 6.798749735e+01 1.68 6.187057245e+01 6.187057245e+01 1.70 5.608605898e+01 5.608605898e+01 1.72 5.068401526e+01 5.068401526e+01 1.74 4.572770473e+01 4.572770473e+01 1.76 4.118726734e+01 4.118726734e+01 1.78 3.703118566e+01 3.703118566e+01 1.80 3.322737772e+01 3.322737772e+01 1.82 2.974479887e+01 2.974479887e+01 1.84 2.655518565e+01 2.655518565e+01 1.86 2.363404534e+01 2.363404534e+01 1.88 2.096053891e+01 2.096053891e+01 1.90 1.851642647e+01 1.851642647e+01 1.92 1.628468362e+01 1.628468362e+01 1.94 1.424853108e+01 1.424853108e+01 1.96 1.239127370e+01 1.239127370e+01 1.98 1.069677358e+01 1.069677358e+01 2.00 9.150068586e+00 9.150068586e+00 2.02 7.737754304e+00 7.737754304e+00 2.04 6.448036671e+00 6.448036671e+00 2.06 5.270559236e+00 5.270559236e+00 2.08 4.196145046e+00 4.196145046e+00 2.10 3.216545260e+00 3.216545260e+00 2.12 2.324237345e+00 2.324237345e+00 2.14 1.512289700e+00 1.512289700e+00 2.16 7.742942594e-01 7.742942594e-01 2.18 1.043516184e-01 1.043516184e-01 2.20 -5.029199458e-01 -5.029199458e-01 2.22 -1.052379759e+00 -1.052379759e+00 2.24 -1.548380530e+00 -1.548380530e+00 2.26 -1.994807715e+00 -1.994807715e+00 2.28 -2.395138175e+00 -2.395138175e+00 2.30 -2.752511119e+00 -2.752511119e+00 2.32 -3.069802647e+00 -3.069802647e+00 2.34 -3.349694447e+00 -3.349694447e+00 2.36 -3.594729610e+00 -3.594729610e+00 2.38 -3.807354149e+00 -3.807354149e+00 2.40 -3.989948147e+00 -3.989948147e+00 2.42 -4.144851289e+00 -4.144851289e+00 2.44 -4.274440764e+00 -4.274440764e+00 2.46 -4.383287385e+00 -4.383287385e+00 2.48 -4.474171906e+00 -4.474171906e+00 2.50 -4.548554975e+00 -4.548554975e+00 2.52 -4.608015826e+00 -4.608015826e+00 2.54 -4.654190047e+00 -4.654190047e+00 2.56 -4.688683143e+00 -4.688683143e+00 2.58 -4.712974294e+00 -4.712974294e+00 2.60 -4.728334356e+00 -4.728334356e+00 2.62 -4.735780390e+00 -4.735780390e+00 2.64 -4.736075609e+00 -4.736075609e+00 2.66 -4.729766877e+00 -4.729766877e+00 2.68 -4.717241458e+00 -4.717241458e+00 2.70 -4.698783861e+00 -4.698783861e+00 2.72 -4.674620091e+00 -4.674620091e+00 2.74 -4.645027949e+00 -4.645027949e+00 2.76 -4.610414265e+00 -4.610414265e+00 2.78 -4.571005373e+00 -4.571005373e+00 2.80 -4.526753263e+00 -4.526753263e+00 2.82 -4.477601609e+00 -4.477601609e+00 2.84 -4.423557606e+00 -4.423557606e+00 2.86 -4.364701904e+00 -4.364701904e+00 2.88 -4.301204758e+00 -4.301204758e+00 2.90 -4.233343823e+00 -4.233343823e+00 2.92 -4.161517751e+00 -4.161517751e+00 2.94 -4.086258903e+00 -4.086258903e+00 2.96 -4.008229368e+00 -4.008229368e+00 2.98 -3.928174276e+00 -3.928174276e+00 3.00 -3.846862698e+00 -3.846862698e+00 3.02 -3.765026291e+00 -3.765026291e+00 3.04 -3.683307332e+00 -3.683307332e+00 3.06 -3.602220952e+00 -3.602220952e+00 3.08 -3.522137553e+00 -3.522137553e+00 3.10 -3.443285696e+00 -3.443285696e+00 3.12 -3.365770543e+00 -3.365770543e+00 3.14 -3.289600765e+00 -3.289600765e+00 3.16 -3.214717133e+00 -3.214717133e+00 3.18 -3.141018216e+00 -3.141018216e+00 3.20 -3.068380904e+00 -3.068380904e+00 3.22 -2.996675515e+00 -2.996675515e+00 3.24 -2.925776284e+00 -2.925776284e+00 3.26 -2.855569361e+00 -2.855569361e+00 3.28 -2.786007422e+00 -2.786007422e+00 3.30 -2.717125397e+00 -2.717125397e+00 3.32 -2.648958927e+00 -2.648958927e+00 3.34 -2.581543041e+00 -2.581543041e+00 3.36 -2.514916277e+00 -2.514916277e+00 3.38 -2.449122795e+00 -2.449122795e+00 3.40 -2.384212766e+00 -2.384212766e+00 3.42 -2.320241423e+00 -2.320241423e+00 3.44 -2.257267115e+00 -2.257267115e+00 3.46 -2.195348814e+00 -2.195348814e+00 3.48 -2.134543423e+00 -2.134543423e+00 3.50 -2.074903197e+00 -2.074903197e+00 3.52 -2.016473513e+00 -2.016473513e+00 3.54 -1.959291102e+00 -1.959291102e+00 3.56 -1.903382824e+00 -1.903382824e+00 3.58 -1.848764980e+00 -1.848764980e+00 3.60 -1.795443130e+00 -1.795443130e+00 3.62 -1.743412375e+00 -1.743412375e+00 3.64 -1.692658062e+00 -1.692658062e+00 3.66 -1.643156862e+00 -1.643156862e+00 3.68 -1.594878170e+00 -1.594878170e+00 3.70 -1.547785782e+00 -1.547785782e+00 3.72 -1.501839761e+00 -1.501839761e+00 3.74 -1.456998386e+00 -1.456998386e+00 3.76 -1.413220039e+00 -1.413220039e+00 3.78 -1.370464872e+00 -1.370464872e+00 3.80 -1.328696079e+00 -1.328696079e+00 3.82 -1.287880649e+00 -1.287880649e+00 3.84 -1.247989526e+00 -1.247989526e+00 3.86 -1.208997231e+00 -1.208997231e+00 3.88 -1.170881074e+00 -1.170881074e+00 3.90 -1.133620203e+00 -1.133620203e+00 3.92 -1.097194750e+00 -1.097194750e+00 3.94 -1.061585326e+00 -1.061585326e+00 3.96 -1.026773015e+00 -1.026773015e+00 3.98 -9.927399555e-01 -9.927399555e-01 4.00 -9.594704182e-01 -9.594704182e-01 4.02 -9.269522228e-01 -9.269522228e-01 4.04 -8.951782649e-01 -8.951782649e-01 4.06 -8.641478734e-01 -8.641478734e-01 4.08 -8.338677293e-01 -8.338677293e-01 4.10 -8.043521007e-01 -8.043521007e-01 4.12 -7.756222615e-01 -7.756222615e-01 4.14 -7.477049384e-01 -7.477049384e-01 4.16 -7.206299711e-01 -7.206299711e-01 4.18 -6.944272932e-01 -6.944272932e-01 4.20 -6.691235950e-01 -6.691235950e-01 4.22 -6.447390605e-01 -6.447390605e-01 4.24 -6.212845850e-01 -6.212845850e-01 4.26 -5.987598084e-01 -5.987598084e-01 4.28 -5.771521670e-01 -5.771521670e-01 4.30 -5.564369978e-01 -5.564369978e-01 4.32 -5.365785657e-01 -5.365785657e-01 4.34 -5.175317687e-01 -5.175317687e-01 4.36 -4.992442138e-01 -4.992442138e-01 4.38 -4.816583683e-01 -4.816583683e-01 4.40 -4.647135435e-01 -4.647135435e-01 4.42 -4.483475595e-01 -4.483475595e-01 4.44 -4.324980263e-01 -4.324980263e-01 4.46 -4.171032589e-01 -4.171032589e-01 4.48 -4.021028995e-01 -4.021028995e-01 4.50 -3.874383510e-01 -3.874383510e-01 4.52 -3.730531344e-01 -3.730531344e-01 4.54 -3.588932718e-01 -3.588932718e-01 4.56 -3.449077754e-01 -3.449077754e-01 4.58 -3.310492951e-01 -3.310492951e-01 4.60 -3.172749519e-01 -3.172749519e-01 4.62 -3.035473545e-01 -3.035473545e-01 4.64 -2.898357750e-01 -2.898357750e-01 4.66 -2.761174314e-01 -2.761174314e-01 4.68 -2.623788026e-01 -2.623788026e-01 4.70 -2.486168740e-01 -2.486168740e-01 4.72 -2.348401924e-01 -2.348401924e-01 4.74 -2.210695863e-01 -2.210695863e-01 4.76 -2.073384078e-01 -2.073384078e-01 4.78 -1.936921592e-01 -1.936921592e-01 4.80 -1.801874040e-01 -1.801874040e-01 4.82 -1.668899235e-01 -1.668899235e-01 4.84 -1.538721377e-01 -1.538721377e-01 4.86 -1.412099518e-01 -1.412099518e-01 4.88 -1.289792163e-01 -1.289792163e-01 4.90 -1.172520565e-01 -1.172520565e-01 4.92 -1.060934225e-01 -1.060934225e-01 4.94 -9.555817991e-02 -9.555817991e-02 4.96 -8.568999689e-02 -8.568999689e-02 4.98 -7.651732349e-02 -7.651732349e-02 5.00 -6.805408168e-02 -6.805408168e-02 5.02 -6.030093965e-02 -6.030093965e-02 5.04 -5.324635281e-02 -5.324635281e-02 5.06 -4.686816966e-02 -4.686816966e-02 5.08 -4.113558375e-02 -4.113558375e-02 5.10 -3.601122515e-02 -3.601122515e-02 5.12 -3.145321693e-02 -3.145321693e-02 5.14 -2.741705851e-02 -2.741705851e-02 5.16 -2.385727362e-02 -2.385727362e-02 5.18 -2.072876242e-02 -2.072876242e-02 5.20 -1.798785393e-02 -1.798785393e-02 5.22 -1.559306287e-02 -1.559306287e-02 5.24 -1.350560701e-02 -1.350560701e-02 5.26 -1.168964055e-02 -1.168964055e-02 5.28 -1.011230268e-02 -1.011230268e-02 5.30 -8.744322191e-03 -8.744322191e-03 5.32 -7.559421386e-03 -7.559421386e-03 5.34 -6.534145885e-03 -6.534145885e-03 5.36 -5.647702683e-03 -5.647702683e-03 5.38 -4.881760951e-03 -4.881760951e-03 5.40 -4.220235046e-03 -4.220235046e-03 5.42 -3.649063473e-03 -3.649063473e-03 5.44 -3.155993079e-03 -3.155993079e-03 5.46 -2.730374417e-03 -2.730374417e-03 5.48 -2.362971772e-03 -2.362971772e-03 5.50 -2.045789597e-03 -2.045789597e-03 5.52 -1.771915870e-03 -1.771915870e-03 5.54 -1.535382113e-03 -1.535382113e-03 5.56 -1.331039248e-03 -1.331039248e-03 5.58 -1.154448200e-03 -1.154448200e-03 5.60 -1.001783981e-03 -1.001783981e-03 5.62 -8.697519477e-04 -8.697519477e-04 5.64 -7.555149299e-04 -7.555149299e-04 5.66 -6.566300069e-04 -6.566300069e-04 5.68 -5.709937697e-04 -5.709937697e-04 5.70 -4.967950260e-04 -4.967950260e-04 5.72 -4.324739942e-04 -4.324739942e-04 5.74 -3.766871406e-04 -3.766871406e-04 5.76 -3.282769079e-04 -3.282769079e-04 5.78 -2.862456752e-04 -2.862456752e-04 5.80 -2.497333688e-04 -2.497333688e-04 5.82 -2.179982229e-04 -2.179982229e-04 5.84 -1.904002480e-04 -1.904002480e-04 5.86 -1.663870314e-04 -1.663870314e-04 5.88 -1.454815393e-04 -1.454815393e-04 5.90 -1.272716391e-04 -1.272716391e-04 5.92 -1.114010982e-04 -1.114010982e-04 5.94 -9.756184984e-05 -9.756184984e-05 5.96 -8.548734649e-05 -8.548734649e-05 5.98 -7.494684556e-05 -7.494684556e-05 6.00 -6.574049610e-05 -6.574049610e-05