# 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 = NiTa2W # 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 3.217667549e+02 3.217667549e+02 1.30 2.973392148e+02 2.973392148e+02 1.32 2.747712528e+02 2.747712528e+02 1.34 2.539066667e+02 2.539066667e+02 1.36 2.346052158e+02 2.346052158e+02 1.38 2.167404576e+02 2.167404576e+02 1.40 2.001982303e+02 2.001982303e+02 1.42 1.848755755e+02 1.848755755e+02 1.44 1.706791600e+02 1.706791600e+02 1.46 1.575230221e+02 1.575230221e+02 1.48 1.453264455e+02 1.453264455e+02 1.50 1.340128676e+02 1.340128676e+02 1.52 1.235101501e+02 1.235101501e+02 1.54 1.137518266e+02 1.137518266e+02 1.56 1.046784512e+02 1.046784512e+02 1.58 9.623819382e+01 9.623819382e+01 1.60 8.838634511e+01 8.838634511e+01 1.62 8.108399984e+01 8.108399984e+01 1.64 7.429644862e+01 7.429644862e+01 1.66 6.799172069e+01 6.799172069e+01 1.68 6.213952598e+01 6.213952598e+01 1.70 5.671065775e+01 5.671065775e+01 1.72 5.167678045e+01 5.167678045e+01 1.74 4.701048618e+01 4.701048618e+01 1.76 4.268552434e+01 4.268552434e+01 1.78 3.867711452e+01 3.867711452e+01 1.80 3.496223499e+01 3.496223499e+01 1.82 3.151979128e+01 3.151979128e+01 1.84 2.833061670e+01 2.833061670e+01 1.86 2.537730160e+01 2.537730160e+01 1.88 2.264388156e+01 2.264388156e+01 1.90 2.011544803e+01 2.011544803e+01 1.92 1.778132149e+01 1.778132149e+01 1.94 1.563453286e+01 1.563453286e+01 1.96 1.366077390e+01 1.366077390e+01 1.98 1.184571929e+01 1.184571929e+01 2.00 1.017562569e+01 1.017562569e+01 2.02 8.637598011e+00 8.637598011e+00 2.04 7.219845600e+00 7.219845600e+00 2.06 5.911853280e+00 5.911853280e+00 2.08 4.704414678e+00 4.704414678e+00 2.10 3.589536331e+00 3.589536331e+00 2.12 2.560264977e+00 2.560264977e+00 2.14 1.610500451e+00 1.610500451e+00 2.16 7.348352533e-01 7.348352533e-01 2.18 -7.156956130e-02 -7.156956130e-02 2.20 -8.130836896e-01 -8.130836896e-01 2.22 -1.493697571e+00 -1.493697571e+00 2.24 -2.117111154e+00 -2.117111154e+00 2.26 -2.686820594e+00 -2.686820594e+00 2.28 -3.206197139e+00 -3.206197139e+00 2.30 -3.678550952e+00 -3.678550952e+00 2.32 -4.107171558e+00 -4.107171558e+00 2.34 -4.495336183e+00 -4.495336183e+00 2.36 -4.846281114e+00 -4.846281114e+00 2.38 -5.163141140e+00 -5.163141140e+00 2.40 -5.448873890e+00 -5.448873890e+00 2.42 -5.706191703e+00 -5.706191703e+00 2.44 -5.937519349e+00 -5.937519349e+00 2.46 -6.144984606e+00 -6.144984606e+00 2.48 -6.330437385e+00 -6.330437385e+00 2.50 -6.495486745e+00 -6.495486745e+00 2.52 -6.641544496e+00 -6.641544496e+00 2.54 -6.769866891e+00 -6.769866891e+00 2.56 -6.881589774e+00 -6.881589774e+00 2.58 -6.977755718e+00 -6.977755718e+00 2.60 -7.059318661e+00 -7.059318661e+00 2.62 -7.127080428e+00 -7.127080428e+00 2.64 -7.181798777e+00 -7.181798777e+00 2.66 -7.224499778e+00 -7.224499778e+00 2.68 -7.256166335e+00 -7.256166335e+00 2.70 -7.277711167e+00 -7.277711167e+00 2.72 -7.289982404e+00 -7.289982404e+00 2.74 -7.293765263e+00 -7.293765263e+00 2.76 -7.289780575e+00 -7.289780575e+00 2.78 -7.278677697e+00 -7.278677697e+00 2.80 -7.260774400e+00 -7.260774400e+00 2.82 -7.235965845e+00 -7.235965845e+00 2.84 -7.204170454e+00 -7.204170454e+00 2.86 -7.165361223e+00 -7.165361223e+00 2.88 -7.119559413e+00 -7.119559413e+00 2.90 -7.066828010e+00 -7.066828010e+00 2.92 -7.007271702e+00 -7.007271702e+00 2.94 -6.941032436e+00 -6.941032436e+00 2.96 -6.868282132e+00 -6.868282132e+00 2.98 -6.789213470e+00 -6.789213470e+00 3.00 -6.704028990e+00 -6.704028990e+00 3.02 -6.612853197e+00 -6.612853197e+00 3.04 -6.515661881e+00 -6.515661881e+00 3.06 -6.412453805e+00 -6.412453805e+00 3.08 -6.303265486e+00 -6.303265486e+00 3.10 -6.188162753e+00 -6.188162753e+00 3.12 -6.067235409e+00 -6.067235409e+00 3.14 -5.940595871e+00 -5.940595871e+00 3.16 -5.808382197e+00 -5.808382197e+00 3.18 -5.670765345e+00 -5.670765345e+00 3.20 -5.527959822e+00 -5.527959822e+00 3.22 -5.380236283e+00 -5.380236283e+00 3.24 -5.227934145e+00 -5.227934145e+00 3.26 -5.071472064e+00 -5.071472064e+00 3.28 -4.911354190e+00 -4.911354190e+00 3.30 -4.748170491e+00 -4.748170491e+00 3.32 -4.582590196e+00 -4.582590196e+00 3.34 -4.415348264e+00 -4.415348264e+00 3.36 -4.247225755e+00 -4.247225755e+00 3.38 -4.079025725e+00 -4.079025725e+00 3.40 -3.911546701e+00 -3.911546701e+00 3.42 -3.745555875e+00 -3.745555875e+00 3.44 -3.581763949e+00 -3.581763949e+00 3.46 -3.420803149e+00 -3.420803149e+00 3.48 -3.263209578e+00 -3.263209578e+00 3.50 -3.109410696e+00 -3.109410696e+00 3.52 -2.959718511e+00 -2.959718511e+00 3.54 -2.814328798e+00 -2.814328798e+00 3.56 -2.673326394e+00 -2.673326394e+00 3.58 -2.536696299e+00 -2.536696299e+00 3.60 -2.404339909e+00 -2.404339909e+00 3.62 -2.276095347e+00 -2.276095347e+00 3.64 -2.151760530e+00 -2.151760530e+00 3.66 -2.031117451e+00 -2.031117451e+00 3.68 -1.913956034e+00 -1.913956034e+00 3.70 -1.800096000e+00 -1.800096000e+00 3.72 -1.689405292e+00 -1.689405292e+00 3.74 -1.581813813e+00 -1.581813813e+00 3.76 -1.477321529e+00 -1.477321529e+00 3.78 -1.376000314e+00 -1.376000314e+00 3.80 -1.277989373e+00 -1.277989373e+00 3.82 -1.183484576e+00 -1.183484576e+00 3.84 -1.092722567e+00 -1.092722567e+00 3.86 -1.005961062e+00 -1.005961062e+00 3.88 -9.234571346e-01 -9.234571346e-01 3.90 -8.454455859e-01 -8.454455859e-01 3.92 -7.721194312e-01 -7.721194312e-01 3.94 -7.036143014e-01 -7.036143014e-01 3.96 -6.399980005e-01 -6.399980005e-01 3.98 -5.812657837e-01 -5.812657837e-01 4.00 -5.273411948e-01 -5.273411948e-01 4.02 -4.780816839e-01 -4.780816839e-01 4.04 -4.332878058e-01 -4.332878058e-01 4.06 -3.927146220e-01 -3.927146220e-01 4.08 -3.560839791e-01 -3.560839791e-01 4.10 -3.230965442e-01 -3.230965442e-01 4.12 -2.934427845e-01 -2.934427845e-01 4.14 -2.668123824e-01 -2.668123824e-01 4.16 -2.429018711e-01 -2.429018711e-01 4.18 -2.214204852e-01 -2.214204852e-01 4.20 -2.020943745e-01 -2.020943745e-01 4.22 -1.846694156e-01 -1.846694156e-01 4.24 -1.689128899e-01 -1.689128899e-01 4.26 -1.546142939e-01 -1.546142939e-01 4.28 -1.415855191e-01 -1.415855191e-01 4.30 -1.296605942e-01 -1.296605942e-01 4.32 -1.186951303e-01 -1.186951303e-01 4.34 -1.085655557e-01 -1.085655557e-01 4.36 -9.916817513e-02 -9.916817513e-02 4.38 -9.041804097e-02 -9.041804097e-02 4.40 -8.224760581e-02 -8.224760581e-02 4.42 -7.460510278e-02 -7.460510278e-02 4.44 -6.745256221e-02 -6.745256221e-02 4.46 -6.076328279e-02 -6.076328279e-02 4.48 -5.452032707e-02 -5.452032707e-02 4.50 -4.871320653e-02 -4.871320653e-02 4.52 -4.333511175e-02 -4.333511175e-02 4.54 -3.838052119e-02 -3.838052119e-02 4.56 -3.384316134e-02 -3.384316134e-02 4.58 -2.971443717e-02 -2.971443717e-02 4.60 -2.598244314e-02 -2.598244314e-02 4.62 -2.263155542e-02 -2.263155542e-02 4.64 -1.964233393e-02 -1.964233393e-02 4.66 -1.699215676e-02 -1.699215676e-02 4.68 -1.465665194e-02 -1.465665194e-02 4.70 -1.260982793e-02 -1.260982793e-02 4.72 -1.082497593e-02 -1.082497593e-02 4.74 -9.275511653e-03 -9.275511653e-03 4.76 -7.935670427e-03 -7.935670427e-03 4.78 -6.781034802e-03 -6.781034802e-03 4.80 -5.788896906e-03 -5.788896906e-03 4.82 -4.938473640e-03 -4.938473640e-03 4.84 -4.210997635e-03 -4.210997635e-03 4.86 -3.589714371e-03 -3.589714371e-03 4.88 -3.059809336e-03 -3.059809336e-03 4.90 -2.608289005e-03 -2.608289005e-03 4.92 -2.223834160e-03 -2.223834160e-03 4.94 -1.896639959e-03 -1.896639959e-03 4.96 -1.618253328e-03 -1.618253328e-03 4.98 -1.381414964e-03 -1.381414964e-03 5.00 -1.179910652e-03 -1.179910652e-03 5.02 -1.008434587e-03 -1.008434587e-03 5.04 -8.624659930e-04 -8.624659930e-04 5.06 -7.381592660e-04 -7.381592660e-04 5.08 -6.322472506e-04 -6.322472506e-04 5.10 -5.419568208e-04 -5.419568208e-04 5.12 -4.649357214e-04 -4.649357214e-04 5.14 -3.991895311e-04 -3.991895311e-04 5.16 -3.430275937e-04 -3.430275937e-04 5.18 -2.950168173e-04 -2.950168173e-04 5.20 -2.539423105e-04 -2.539423105e-04 5.22 -2.187739253e-04 -2.187739253e-04 5.24 -1.886378716e-04 -1.886378716e-04 5.26 -1.627926712e-04 -1.627926712e-04 5.28 -1.406088076e-04 -1.406088076e-04 5.30 -1.215515181e-04 -1.215515181e-04 5.32 -1.051662507e-04 -1.051662507e-04 5.34 -9.106637631e-05 -9.106637631e-05 5.36 -7.892280874e-05 -7.892280874e-05 5.38 -6.845523499e-05 -6.845523499e-05 5.40 -5.942470578e-05 -5.942470578e-05 5.42 -5.162737323e-05 -5.162737323e-05 5.44 -4.488919625e-05 -4.488919625e-05 5.46 -3.906146219e-05 -3.906146219e-05 5.48 -3.401699690e-05 -3.401699690e-05 5.50 -2.964695564e-05 -2.964695564e-05 5.52 -2.585810404e-05 -2.585810404e-05 5.54 -2.257051292e-05 -2.257051292e-05 5.56 -1.971560249e-05 -1.971560249e-05 5.58 -1.723448184e-05 -1.723448184e-05 5.60 -1.507653819e-05 -1.507653819e-05 5.62 -1.319823718e-05 -1.319823718e-05 5.64 -1.156210218e-05 -1.156210218e-05 5.66 -1.013584489e-05 -1.013584489e-05 5.68 -8.891624486e-06 -8.891624486e-06 5.70 -7.805415574e-06 -7.805415574e-06 5.72 -6.856468737e-06 -6.856468737e-06 5.74 -6.026849593e-06 -6.026849593e-06 5.76 -5.301044683e-06 -5.301044683e-06 5.78 -4.665624218e-06 -4.665624218e-06 5.80 -4.108953236e-06 -4.108953236e-06 5.82 -3.620944034e-06 -3.620944034e-06 5.84 -3.192843802e-06 -3.192843802e-06 5.86 -2.817052294e-06 -2.817052294e-06 5.88 -2.486965188e-06 -2.486965188e-06 5.90 -2.196839385e-06 -2.196839385e-06 5.92 -1.941677100e-06 -1.941677100e-06 5.94 -1.717126030e-06 -1.717126030e-06 5.96 -1.519393317e-06 -1.519393317e-06 5.98 -1.345171335e-06 -1.345171335e-06 6.00 -1.191573629e-06 -1.191573629e-06