# 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 = Co2NiTa # 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 1.724020993e+02 1.724020993e+02 1.30 1.583511524e+02 1.583511524e+02 1.32 1.454093912e+02 1.454093912e+02 1.34 1.334823940e+02 1.334823940e+02 1.36 1.224869483e+02 1.224869483e+02 1.38 1.123497481e+02 1.123497481e+02 1.40 1.030051675e+02 1.030051675e+02 1.42 9.439304011e+01 9.439304011e+01 1.44 8.645675792e+01 8.645675792e+01 1.46 7.914204360e+01 7.914204360e+01 1.48 7.239669925e+01 7.239669925e+01 1.50 6.617111794e+01 6.617111794e+01 1.52 6.041912624e+01 6.041912624e+01 1.54 5.509886856e+01 5.509886856e+01 1.56 5.017340854e+01 5.017340854e+01 1.58 4.561070759e+01 4.561070759e+01 1.60 4.138299351e+01 4.138299351e+01 1.62 3.746587018e+01 3.746587018e+01 1.64 3.383748627e+01 3.383748627e+01 1.66 3.047789937e+01 3.047789937e+01 1.68 2.736867666e+01 2.736867666e+01 1.70 2.449449581e+01 2.449449581e+01 1.72 2.184350377e+01 2.184350377e+01 1.74 1.940024277e+01 1.940024277e+01 1.76 1.714996408e+01 1.714996408e+01 1.78 1.507994345e+01 1.507994345e+01 1.80 1.317748927e+01 1.317748927e+01 1.82 1.143048515e+01 1.143048515e+01 1.84 9.827831859e+00 9.827831859e+00 1.86 8.359308275e+00 8.359308275e+00 1.88 7.015361761e+00 7.015361761e+00 1.90 5.786900025e+00 5.786900025e+00 1.92 4.665139083e+00 4.665139083e+00 1.94 3.641538478e+00 3.641538478e+00 1.96 2.707828912e+00 2.707828912e+00 1.98 1.856112397e+00 1.856112397e+00 2.00 1.079002113e+00 1.079002113e+00 2.02 3.697650132e-01 3.697650132e-01 2.04 -2.775737155e-01 -2.775737155e-01 2.06 -8.681976306e-01 -8.681976306e-01 2.08 -1.406544889e+00 -1.406544889e+00 2.10 -1.896413170e+00 -1.896413170e+00 2.12 -2.341091169e+00 -2.341091169e+00 2.14 -2.743486318e+00 -2.743486318e+00 2.16 -3.106229256e+00 -3.106229256e+00 2.18 -3.431749864e+00 -3.431749864e+00 2.20 -3.722331688e+00 -3.722331688e+00 2.22 -3.980156118e+00 -3.980156118e+00 2.24 -4.207343784e+00 -4.207343784e+00 2.26 -4.405993616e+00 -4.405993616e+00 2.28 -4.578215418e+00 -4.578215418e+00 2.30 -4.726150304e+00 -4.726150304e+00 2.32 -4.851927152e+00 -4.851927152e+00 2.34 -4.957614856e+00 -4.957614856e+00 2.36 -5.045595886e+00 -5.045595886e+00 2.38 -5.118134044e+00 -5.118134044e+00 2.40 -5.177254862e+00 -5.177254862e+00 2.42 -5.224696740e+00 -5.224696740e+00 2.44 -5.261795054e+00 -5.261795054e+00 2.46 -5.289210346e+00 -5.289210346e+00 2.48 -5.307462748e+00 -5.307462748e+00 2.50 -5.317088936e+00 -5.317088936e+00 2.52 -5.318632348e+00 -5.318632348e+00 2.54 -5.312643138e+00 -5.312643138e+00 2.56 -5.299683910e+00 -5.299683910e+00 2.58 -5.280334696e+00 -5.280334696e+00 2.60 -5.255194012e+00 -5.255194012e+00 2.62 -5.224924204e+00 -5.224924204e+00 2.64 -5.190034811e+00 -5.190034811e+00 2.66 -5.150963354e+00 -5.150963354e+00 2.68 -5.108103589e+00 -5.108103589e+00 2.70 -5.061805976e+00 -5.061805976e+00 2.72 -5.012385022e+00 -5.012385022e+00 2.74 -4.960046889e+00 -4.960046889e+00 2.76 -4.904905721e+00 -4.904905721e+00 2.78 -4.847089372e+00 -4.847089372e+00 2.80 -4.786666319e+00 -4.786666319e+00 2.82 -4.723689561e+00 -4.723689561e+00 2.84 -4.658236654e+00 -4.658236654e+00 2.86 -4.590400258e+00 -4.590400258e+00 2.88 -4.520282142e+00 -4.520282142e+00 2.90 -4.447990256e+00 -4.447990256e+00 2.92 -4.373637911e+00 -4.373637911e+00 2.94 -4.297344261e+00 -4.297344261e+00 2.96 -4.219235490e+00 -4.219235490e+00 2.98 -4.139446092e+00 -4.139446092e+00 3.00 -4.058119501e+00 -4.058119501e+00 3.02 -3.975407178e+00 -3.975407178e+00 3.04 -3.891465510e+00 -3.891465510e+00 3.06 -3.806450592e+00 -3.806450592e+00 3.08 -3.720512026e+00 -3.720512026e+00 3.10 -3.633787709e+00 -3.633787709e+00 3.12 -3.546401576e+00 -3.546401576e+00 3.14 -3.458465382e+00 -3.458465382e+00 3.16 -3.370084251e+00 -3.370084251e+00 3.18 -3.281364636e+00 -3.281364636e+00 3.20 -3.192422849e+00 -3.192422849e+00 3.22 -3.103392492e+00 -3.103392492e+00 3.24 -3.014429489e+00 -3.014429489e+00 3.26 -2.925713971e+00 -2.925713971e+00 3.28 -2.837448617e+00 -2.837448617e+00 3.30 -2.749853492e+00 -2.749853492e+00 3.32 -2.663157806e+00 -2.663157806e+00 3.34 -2.577589394e+00 -2.577589394e+00 3.36 -2.493363084e+00 -2.493363084e+00 3.38 -2.410669301e+00 -2.410669301e+00 3.40 -2.329664207e+00 -2.329664207e+00 3.42 -2.250462470e+00 -2.250462470e+00 3.44 -2.173133295e+00 -2.173133295e+00 3.46 -2.097699888e+00 -2.097699888e+00 3.48 -2.024142061e+00 -2.024142061e+00 3.50 -1.952401399e+00 -1.952401399e+00 3.52 -1.882388210e+00 -1.882388210e+00 3.54 -1.813989535e+00 -1.813989535e+00 3.56 -1.747077561e+00 -1.747077561e+00 3.58 -1.681517981e+00 -1.681517981e+00 3.60 -1.617177979e+00 -1.617177979e+00 3.62 -1.553933681e+00 -1.553933681e+00 3.64 -1.491676967e+00 -1.491676967e+00 3.66 -1.430321571e+00 -1.430321571e+00 3.68 -1.369808340e+00 -1.369808340e+00 3.70 -1.310109491e+00 -1.310109491e+00 3.72 -1.251231596e+00 -1.251231596e+00 3.74 -1.193217013e+00 -1.193217013e+00 3.76 -1.136143466e+00 -1.136143466e+00 3.78 -1.080121533e+00 -1.080121533e+00 3.80 -1.025289946e+00 -1.025289946e+00 3.82 -9.718087825e-01 -9.718087825e-01 3.84 -9.198508628e-01 -9.198508628e-01 3.86 -8.695918790e-01 -8.695918790e-01 3.88 -8.212000044e-01 -8.212000044e-01 3.90 -7.748258483e-01 -7.748258483e-01 3.92 -7.305936479e-01 -7.305936479e-01 3.94 -6.885944816e-01 -6.885944816e-01 3.96 -6.488820514e-01 -6.488820514e-01 3.98 -6.114712650e-01 -6.114712650e-01 4.00 -5.763394958e-01 -5.763394958e-01 4.02 -5.434301039e-01 -5.434301039e-01 4.04 -5.126576032e-01 -5.126576032e-01 4.06 -4.839137889e-01 -4.839137889e-01 4.08 -4.570741847e-01 -4.570741847e-01 4.10 -4.320042881e-01 -4.320042881e-01 4.12 -4.085652548e-01 -4.085652548e-01 4.14 -3.866188031e-01 -3.866188031e-01 4.16 -3.660312553e-01 -3.660312553e-01 4.18 -3.466766986e-01 -3.466766986e-01 4.20 -3.284392995e-01 -3.284392995e-01 4.22 -3.112148187e-01 -3.112148187e-01 4.24 -2.949113738e-01 -2.949113738e-01 4.26 -2.794495104e-01 -2.794495104e-01 4.28 -2.647616578e-01 -2.647616578e-01 4.30 -2.507910872e-01 -2.507910872e-01 4.32 -2.374905299e-01 -2.374905299e-01 4.34 -2.248206421e-01 -2.248206421e-01 4.36 -2.127485075e-01 -2.127485075e-01 4.38 -2.012463226e-01 -2.012463226e-01 4.40 -1.902903417e-01 -1.902903417e-01 4.42 -1.798600710e-01 -1.798600710e-01 4.44 -1.699376335e-01 -1.699376335e-01 4.46 -1.605071912e-01 -1.605071912e-01 4.48 -1.515543239e-01 -1.515543239e-01 4.50 -1.430653130e-01 -1.430653130e-01 4.52 -1.350263395e-01 -1.350263395e-01 4.54 -1.274226643e-01 -1.274226643e-01 4.56 -1.202378920e-01 -1.202378920e-01 4.58 -1.134534194e-01 -1.134534194e-01 4.60 -1.070481436e-01 -1.070481436e-01 4.62 -1.009984683e-01 -1.009984683e-01 4.64 -9.527859367e-02 -9.527859367e-02 4.66 -8.986096767e-02 -8.986096767e-02 4.68 -8.471683734e-02 -8.471683734e-02 4.70 -7.981782001e-02 -7.981782001e-02 4.72 -7.513613140e-02 -7.513613140e-02 4.74 -7.064537262e-02 -7.064537262e-02 4.76 -6.632135846e-02 -6.632135846e-02 4.78 -6.214286091e-02 -6.214286091e-02 4.80 -5.809225196e-02 -5.809225196e-02 4.82 -5.415602801e-02 -5.415602801e-02 4.84 -5.032518731e-02 -5.032518731e-02 4.86 -4.659542965e-02 -4.659542965e-02 4.88 -4.296713457e-02 -4.296713457e-02 4.90 -3.944508416e-02 -3.944508416e-02 4.92 -3.603791126e-02 -3.603791126e-02 4.94 -3.275727334e-02 -3.275727334e-02 4.96 -2.961679214e-02 -2.961679214e-02 4.98 -2.663083922e-02 -2.663083922e-02 5.00 -2.381326737e-02 -2.381326737e-02 5.02 -2.117621585e-02 -2.117621585e-02 5.04 -1.872911090e-02 -1.872911090e-02 5.06 -1.647795252e-02 -1.647795252e-02 5.08 -1.442470735e-02 -1.442470735e-02 5.10 -1.256757988e-02 -1.256757988e-02 5.12 -1.090164247e-02 -1.090164247e-02 5.14 -9.418781752e-03 -9.418781752e-03 5.16 -8.108362284e-03 -8.108362284e-03 5.18 -6.957951224e-03 -6.957951224e-03 5.20 -5.954022744e-03 -5.954022744e-03 5.22 -5.082588827e-03 -5.082588827e-03 5.24 -4.329724921e-03 -4.329724921e-03 5.26 -3.681978155e-03 -3.681978155e-03 5.28 -3.126660412e-03 -3.126660412e-03 5.30 -2.652038085e-03 -2.652038085e-03 5.32 -2.247435390e-03 -2.247435390e-03 5.34 -1.903269621e-03 -1.903269621e-03 5.36 -1.611035994e-03 -1.611035994e-03 5.38 -1.363257556e-03 -1.363257556e-03 5.40 -1.153412925e-03 -1.153412925e-03 5.42 -9.758518245e-04 -9.758518245e-04 5.44 -8.257058372e-04 -8.257058372e-04 5.46 -6.987995749e-04 -6.987995749e-04 5.48 -5.915657513e-04 -5.915657513e-04 5.50 -5.009662653e-04 -5.009662653e-04 5.52 -4.244204139e-04 -4.244204139e-04 5.54 -3.597406517e-04 -3.597406517e-04 5.56 -3.050758326e-04 -3.050758326e-04 5.58 -2.588615715e-04 -2.588615715e-04 5.60 -2.197771858e-04 -2.197771858e-04 5.62 -1.867085911e-04 -1.867085911e-04 5.64 -1.587164974e-04 -1.587164974e-04 5.66 -1.350092681e-04 -1.350092681e-04 5.68 -1.149198388e-04 -1.149198388e-04 5.70 -9.788614585e-05 -9.788614585e-05 5.72 -8.343456810e-05 -8.343456810e-05 5.74 -7.116594419e-05 -7.116594419e-05 5.76 -6.074378154e-05 -6.074378154e-05 5.78 -5.188432487e-05 -5.188432487e-05 5.80 -4.434819787e-05 -4.434819787e-05 5.82 -3.793337323e-05 -3.793337323e-05 5.84 -3.246926224e-05 -3.246926224e-05 5.86 -2.781174693e-05 -2.781174693e-05 5.88 -2.383900478e-05 -2.383900478e-05 5.90 -2.044799953e-05 -2.044799953e-05 5.92 -1.755153147e-05 -1.755153147e-05 5.94 -1.507575735e-05 -1.507575735e-05 5.96 -1.295810470e-05 -1.295810470e-05 5.98 -1.114551705e-05 -1.114551705e-05 6.00 -9.592977109e-06 -9.592977109e-06