# 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 = CuFe2Pd # 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 1.950738595e+02 1.950738595e+02 1.30 1.787617719e+02 1.787617719e+02 1.32 1.637718513e+02 1.637718513e+02 1.34 1.499917003e+02 1.499917003e+02 1.36 1.373191106e+02 1.373191106e+02 1.38 1.256604455e+02 1.256604455e+02 1.40 1.149299006e+02 1.149299006e+02 1.42 1.050495888e+02 1.050495888e+02 1.44 9.594972953e+01 9.594972953e+01 1.46 8.756814024e+01 8.756814024e+01 1.48 7.984893293e+01 7.984893293e+01 1.50 7.274100961e+01 7.274100961e+01 1.52 6.619691947e+01 6.619691947e+01 1.54 6.017215472e+01 6.017215472e+01 1.56 5.462472279e+01 5.462472279e+01 1.58 4.951498645e+01 4.951498645e+01 1.60 4.480575928e+01 4.480575928e+01 1.62 4.046457125e+01 4.046457125e+01 1.64 3.647873879e+01 3.647873879e+01 1.66 3.282441067e+01 3.282441067e+01 1.68 2.947605230e+01 2.947605230e+01 1.70 2.641074923e+01 2.641074923e+01 1.72 2.360735443e+01 2.360735443e+01 1.74 2.104578911e+01 2.104578911e+01 1.76 1.870668749e+01 1.870668749e+01 1.78 1.657143654e+01 1.657143654e+01 1.80 1.462246336e+01 1.462246336e+01 1.82 1.284352502e+01 1.284352502e+01 1.84 1.121982994e+01 1.121982994e+01 1.86 9.737981279e+00 9.737981279e+00 1.88 8.385834990e+00 8.385834990e+00 1.90 7.152357163e+00 7.152357163e+00 1.92 6.027507916e+00 6.027507916e+00 1.94 5.002141152e+00 5.002141152e+00 1.96 4.067904971e+00 4.067904971e+00 1.98 3.217140557e+00 3.217140557e+00 2.00 2.442793036e+00 2.442793036e+00 2.02 1.738352720e+00 1.738352720e+00 2.04 1.097833310e+00 1.097833310e+00 2.06 5.157746763e-01 5.157746763e-01 2.08 -1.275284843e-02 -1.275284843e-02 2.10 -4.921619483e-01 -4.921619483e-01 2.12 -9.263865178e-01 -9.263865178e-01 2.14 -1.318940029e+00 -1.318940029e+00 2.16 -1.672983894e+00 -1.672983894e+00 2.18 -1.991395439e+00 -1.991395439e+00 2.20 -2.276827820e+00 -2.276827820e+00 2.22 -2.531757656e+00 -2.531757656e+00 2.24 -2.758519345e+00 -2.758519345e+00 2.26 -2.959327364e+00 -2.959327364e+00 2.28 -3.136288860e+00 -3.136288860e+00 2.30 -3.291407802e+00 -3.291407802e+00 2.32 -3.426580525e+00 -3.426580525e+00 2.34 -3.543582931e+00 -3.543582931e+00 2.36 -3.644053367e+00 -3.644053367e+00 2.38 -3.729479084e+00 -3.729479084e+00 2.40 -3.801194154e+00 -3.801194154e+00 2.42 -3.860391894e+00 -3.860391894e+00 2.44 -3.908148469e+00 -3.908148469e+00 2.46 -3.945595889e+00 -3.945595889e+00 2.48 -3.973966391e+00 -3.973966391e+00 2.50 -3.994043302e+00 -3.994043302e+00 2.52 -4.006533288e+00 -4.006533288e+00 2.54 -4.011712299e+00 -4.011712299e+00 2.56 -4.009891298e+00 -4.009891298e+00 2.58 -4.001405153e+00 -4.001405153e+00 2.60 -3.986600532e+00 -3.986600532e+00 2.62 -3.965872399e+00 -3.965872399e+00 2.64 -3.939554876e+00 -3.939554876e+00 2.66 -3.907758671e+00 -3.907758671e+00 2.68 -3.870615055e+00 -3.870615055e+00 2.70 -3.828309835e+00 -3.828309835e+00 2.72 -3.781073786e+00 -3.781073786e+00 2.74 -3.729173357e+00 -3.729173357e+00 2.76 -3.672901997e+00 -3.672901997e+00 2.78 -3.612573441e+00 -3.612573441e+00 2.80 -3.548518298e+00 -3.548518298e+00 2.82 -3.481084087e+00 -3.481084087e+00 2.84 -3.410637266e+00 -3.410637266e+00 2.86 -3.337564559e+00 -3.337564559e+00 2.88 -3.262270773e+00 -3.262270773e+00 2.90 -3.185171359e+00 -3.185171359e+00 2.92 -3.106679602e+00 -3.106679602e+00 2.94 -3.027190136e+00 -3.027190136e+00 2.96 -2.947061717e+00 -2.947061717e+00 2.98 -2.866602675e+00 -2.866602675e+00 3.00 -2.786061883e+00 -2.786061883e+00 3.02 -2.705626741e+00 -2.705626741e+00 3.04 -2.625428039e+00 -2.625428039e+00 3.06 -2.545550245e+00 -2.545550245e+00 3.08 -2.466045106e+00 -2.466045106e+00 3.10 -2.386946518e+00 -2.386946518e+00 3.12 -2.308285039e+00 -2.308285039e+00 3.14 -2.230100998e+00 -2.230100998e+00 3.16 -2.152455496e+00 -2.152455496e+00 3.18 -2.075438818e+00 -2.075438818e+00 3.20 -1.999175823e+00 -1.999175823e+00 3.22 -1.923827840e+00 -1.923827840e+00 3.24 -1.849590749e+00 -1.849590749e+00 3.26 -1.776689087e+00 -1.776689087e+00 3.28 -1.705366466e+00 -1.705366466e+00 3.30 -1.635873044e+00 -1.635873044e+00 3.32 -1.568451296e+00 -1.568451296e+00 3.34 -1.503321660e+00 -1.503321660e+00 3.36 -1.440669705e+00 -1.440669705e+00 3.38 -1.380636258e+00 -1.380636258e+00 3.40 -1.323311439e+00 -1.323311439e+00 3.42 -1.268732938e+00 -1.268732938e+00 3.44 -1.216888231e+00 -1.216888231e+00 3.46 -1.167719999e+00 -1.167719999e+00 3.48 -1.121133674e+00 -1.121133674e+00 3.50 -1.077006049e+00 -1.077006049e+00 3.52 -1.035193985e+00 -1.035193985e+00 3.54 -9.955424695e-01 -9.955424695e-01 3.56 -9.578915882e-01 -9.578915882e-01 3.58 -9.220821843e-01 -9.220821843e-01 3.60 -8.879602028e-01 -8.879602028e-01 3.62 -8.553798413e-01 -8.553798413e-01 3.64 -8.242057036e-01 -8.242057036e-01 3.66 -7.943141769e-01 -7.943141769e-01 3.68 -7.655942342e-01 -7.655942342e-01 3.70 -7.379478230e-01 -7.379478230e-01 3.72 -7.112899440e-01 -7.112899440e-01 3.74 -6.855484633e-01 -6.855484633e-01 3.76 -6.606636448e-01 -6.606636448e-01 3.78 -6.365873562e-01 -6.365873562e-01 3.80 -6.132818898e-01 -6.132818898e-01 3.82 -5.907183696e-01 -5.907183696e-01 3.84 -5.688747776e-01 -5.688747776e-01 3.86 -5.477337154e-01 -5.477337154e-01 3.88 -5.272800961e-01 -5.272800961e-01 3.90 -5.074990167e-01 -5.074990167e-01 3.92 -4.883740566e-01 -4.883740566e-01 3.94 -4.698861846e-01 -4.698861846e-01 3.96 -4.520133632e-01 -4.520133632e-01 3.98 -4.347308248e-01 -4.347308248e-01 4.00 -4.180118686e-01 -4.180118686e-01 4.02 -4.018289454e-01 -4.018289454e-01 4.04 -3.861548253e-01 -3.861548253e-01 4.06 -3.709635521e-01 -3.709635521e-01 4.08 -3.562312775e-01 -3.562312775e-01 4.10 -3.419367540e-01 -3.419367540e-01 4.12 -3.280609939e-01 -3.280609939e-01 4.14 -3.145868593e-01 -3.145868593e-01 4.16 -3.014984199e-01 -3.014984199e-01 4.18 -2.887802309e-01 -2.887802309e-01 4.20 -2.764167116e-01 -2.764167116e-01 4.22 -2.643917740e-01 -2.643917740e-01 4.24 -2.526887998e-01 -2.526887998e-01 4.26 -2.412909941e-01 -2.412909941e-01 4.28 -2.301820735e-01 -2.301820735e-01 4.30 -2.193471833e-01 -2.193471833e-01 4.32 -2.087738802e-01 -2.087738802e-01 4.34 -1.984528895e-01 -1.984528895e-01 4.36 -1.883792726e-01 -1.883792726e-01 4.38 -1.785524416e-01 -1.785524416e-01 4.40 -1.689759432e-01 -1.689759432e-01 4.42 -1.596568961e-01 -1.596568961e-01 4.44 -1.506050039e-01 -1.506050039e-01 4.46 -1.418312627e-01 -1.418312627e-01 4.48 -1.333465313e-01 -1.333465313e-01 4.50 -1.251601566e-01 -1.251601566e-01 4.52 -1.172788399e-01 -1.172788399e-01 4.54 -1.097058882e-01 -1.097058882e-01 4.56 -1.024409355e-01 -1.024409355e-01 4.58 -9.548014368e-02 -9.548014368e-02 4.60 -8.881682474e-02 -8.881682474e-02 4.62 -8.244237073e-02 -8.244237073e-02 4.64 -7.634734631e-02 -7.634734631e-02 4.66 -7.052259030e-02 -7.052259030e-02 4.68 -6.496018466e-02 -6.496018466e-02 4.70 -5.965417753e-02 -5.965417753e-02 4.72 -5.460098526e-02 -5.460098526e-02 4.74 -4.979944212e-02 -4.979944212e-02 4.76 -4.525051040e-02 -4.525051040e-02 4.78 -4.095670383e-02 -4.095670383e-02 4.80 -3.692130915e-02 -3.692130915e-02 4.82 -3.314751138e-02 -3.314751138e-02 4.84 -2.963753138e-02 -2.963753138e-02 4.86 -2.639187103e-02 -2.639187103e-02 4.88 -2.340875122e-02 -2.340875122e-02 4.90 -2.068378206e-02 -2.068378206e-02 4.92 -1.820987370e-02 -1.820987370e-02 4.94 -1.597726526e-02 -1.597726526e-02 4.96 -1.397341677e-02 -1.397341677e-02 4.98 -1.218497423e-02 -1.218497423e-02 5.00 -1.059726511e-02 -1.059726511e-02 5.02 -9.194639741e-03 -9.194639741e-03 5.04 -7.961021361e-03 -7.961021361e-03 5.06 -6.880380719e-03 -6.880380719e-03 5.08 -5.937121103e-03 -5.937121103e-03 5.10 -5.116371043e-03 -5.116371043e-03 5.12 -4.404189835e-03 -4.404189835e-03 5.14 -3.787696084e-03 -3.787696084e-03 5.16 -3.255132020e-03 -3.255132020e-03 5.18 -2.795876937e-03 -2.795876937e-03 5.20 -2.400422376e-03 -2.400422376e-03 5.22 -2.060320257e-03 -2.060320257e-03 5.24 -1.768113328e-03 -1.768113328e-03 5.26 -1.517255410e-03 -1.517255410e-03 5.28 -1.302027221e-03 -1.302027221e-03 5.30 -1.117451972e-03 -1.117451972e-03 5.32 -9.592136946e-04 -9.592136946e-04 5.34 -8.235802370e-04 -8.235802370e-04 5.36 -7.073320567e-04 -7.073320567e-04 5.38 -6.076973890e-04 -6.076973890e-04 5.40 -5.222939293e-04 -5.222939293e-04 5.42 -4.490768903e-04 -4.490768903e-04 5.44 -3.862931067e-04 -3.862931067e-04 5.46 -3.324407503e-04 -3.324407503e-04 5.48 -2.862341601e-04 -2.862341601e-04 5.50 -2.465732778e-04 -2.465732778e-04 5.52 -2.125171824e-04 -2.125171824e-04 5.54 -1.832612473e-04 -1.832612473e-04 5.56 -1.581174725e-04 -1.581174725e-04 5.58 -1.364975866e-04 -1.364975866e-04 5.60 -1.178985546e-04 -1.178985546e-04 5.62 -1.018901650e-04 -1.018901650e-04 5.64 -8.810441084e-05 -8.810441084e-05 5.66 -7.622641271e-05 -7.622641271e-05 5.68 -6.598666578e-05 -6.598666578e-05 5.70 -5.715442055e-05 -5.715442055e-05 5.72 -4.953203392e-05 -4.953203392e-05 5.74 -4.295014933e-05 -4.295014933e-05 5.76 -3.726358466e-05 -3.726358466e-05 5.78 -3.234782430e-05 -3.234782430e-05 5.80 -2.809602620e-05 -2.809602620e-05 5.82 -2.441646809e-05 -2.441646809e-05 5.84 -2.123036798e-05 -2.123036798e-05 5.86 -1.847002359e-05 -1.847002359e-05 5.88 -1.607722359e-05 -1.607722359e-05 5.90 -1.400189051e-05 -1.400189051e-05 5.92 -1.220092105e-05 -1.220092105e-05 5.94 -1.063719474e-05 -1.063719474e-05 5.96 -9.278726139e-06 -9.278726139e-06 5.98 -8.097939432e-06 -8.097939432e-06 6.00 -7.071047505e-06 -7.071047505e-06