# 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 = Cu2PtTa # 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 2.390100265e+02 2.390100265e+02 1.30 2.217270173e+02 2.217270173e+02 1.32 2.056375770e+02 2.056375770e+02 1.34 1.906577323e+02 1.906577323e+02 1.36 1.767106894e+02 1.767106894e+02 1.38 1.637196016e+02 1.637196016e+02 1.40 1.516067810e+02 1.516067810e+02 1.42 1.402982133e+02 1.402982133e+02 1.44 1.297293028e+02 1.297293028e+02 1.46 1.198487667e+02 1.198487667e+02 1.48 1.106185923e+02 1.106185923e+02 1.50 1.020091814e+02 1.020091814e+02 1.52 9.399173161e+01 9.399173161e+01 1.54 8.653224086e+01 8.653224086e+01 1.56 7.959022629e+01 7.959022629e+01 1.58 7.312151543e+01 7.312151543e+01 1.60 6.708228450e+01 6.708228450e+01 1.62 6.143218438e+01 6.143218438e+01 1.64 5.613601944e+01 5.613601944e+01 1.66 5.116435954e+01 5.116435954e+01 1.68 4.649349298e+01 4.649349298e+01 1.70 4.210520737e+01 4.210520737e+01 1.72 3.798898718e+01 3.798898718e+01 1.74 3.413356156e+01 3.413356156e+01 1.76 3.055008934e+01 3.055008934e+01 1.78 2.726706484e+01 2.726706484e+01 1.80 2.426367150e+01 2.426367150e+01 1.82 2.151784383e+01 2.151784383e+01 1.84 1.900851262e+01 1.900851262e+01 1.86 1.671612947e+01 1.671612947e+01 1.88 1.462285139e+01 1.462285139e+01 1.90 1.271234364e+01 1.271234364e+01 1.92 1.096941216e+01 1.096941216e+01 1.94 9.379701404e+00 9.379701404e+00 1.96 7.929592670e+00 7.929592670e+00 1.98 6.606292401e+00 6.606292401e+00 2.00 5.398005921e+00 5.398005921e+00 2.02 4.294090128e+00 4.294090128e+00 2.04 3.285130480e+00 3.285130480e+00 2.06 2.362929891e+00 2.362929891e+00 2.08 1.520414242e+00 1.520414242e+00 2.10 7.514706135e-01 7.514706135e-01 2.12 5.074994282e-02 5.074994282e-02 2.14 -5.865245261e-01 -5.865245261e-01 2.16 -1.164708782e+00 -1.164708782e+00 2.18 -1.687836650e+00 -1.687836650e+00 2.20 -2.159673958e+00 -2.159673958e+00 2.22 -2.583747236e+00 -2.583747236e+00 2.24 -2.963365709e+00 -2.963365709e+00 2.26 -3.301650580e+00 -3.301650580e+00 2.28 -3.601578418e+00 -3.601578418e+00 2.30 -3.866034354e+00 -3.866034354e+00 2.32 -4.097858565e+00 -4.097858565e+00 2.34 -4.299864670e+00 -4.299864670e+00 2.36 -4.474791524e+00 -4.474791524e+00 2.38 -4.625171301e+00 -4.625171301e+00 2.40 -4.753688704e+00 -4.753688704e+00 2.42 -4.862819757e+00 -4.862819757e+00 2.44 -4.954743596e+00 -4.954743596e+00 2.46 -5.031358287e+00 -5.031358287e+00 2.48 -5.094598625e+00 -5.094598625e+00 2.50 -5.146869585e+00 -5.146869585e+00 2.52 -5.188923140e+00 -5.188923140e+00 2.54 -5.221415921e+00 -5.221415921e+00 2.56 -5.245051083e+00 -5.245051083e+00 2.58 -5.260516887e+00 -5.260516887e+00 2.60 -5.268440057e+00 -5.268440057e+00 2.62 -5.269362579e+00 -5.269362579e+00 2.64 -5.263743535e+00 -5.263743535e+00 2.66 -5.251978961e+00 -5.251978961e+00 2.68 -5.234427958e+00 -5.234427958e+00 2.70 -5.211433771e+00 -5.211433771e+00 2.72 -5.183333208e+00 -5.183333208e+00 2.74 -5.150453619e+00 -5.150453619e+00 2.76 -5.113101625e+00 -5.113101625e+00 2.78 -5.071550323e+00 -5.071550323e+00 2.80 -5.026031392e+00 -5.026031392e+00 2.82 -4.976735953e+00 -4.976735953e+00 2.84 -4.923845041e+00 -4.923845041e+00 2.86 -4.867827977e+00 -4.867827977e+00 2.88 -4.808708531e+00 -4.808708531e+00 2.90 -4.746404243e+00 -4.746404243e+00 2.92 -4.680934382e+00 -4.680934382e+00 2.94 -4.612418705e+00 -4.612418705e+00 2.96 -4.541067997e+00 -4.541067997e+00 2.98 -4.467164882e+00 -4.467164882e+00 3.00 -4.391035876e+00 -4.391035876e+00 3.02 -4.313018488e+00 -4.313018488e+00 3.04 -4.233431288e+00 -4.233431288e+00 3.06 -4.152569635e+00 -4.152569635e+00 3.08 -4.070675892e+00 -4.070675892e+00 3.10 -3.987922132e+00 -3.987922132e+00 3.12 -3.904417420e+00 -3.904417420e+00 3.14 -3.820221928e+00 -3.820221928e+00 3.16 -3.735364089e+00 -3.735364089e+00 3.18 -3.649858097e+00 -3.649858097e+00 3.20 -3.563724606e+00 -3.563724606e+00 3.22 -3.477129289e+00 -3.477129289e+00 3.24 -3.390382836e+00 -3.390382836e+00 3.26 -3.303787807e+00 -3.303787807e+00 3.28 -3.217631894e+00 -3.217631894e+00 3.30 -3.132184506e+00 -3.132184506e+00 3.32 -3.047689789e+00 -3.047689789e+00 3.34 -2.964358252e+00 -2.964358252e+00 3.36 -2.882359040e+00 -2.882359040e+00 3.38 -2.801814539e+00 -2.801814539e+00 3.40 -2.722798280e+00 -2.722798280e+00 3.42 -2.645336407e+00 -2.645336407e+00 3.44 -2.569412233e+00 -2.569412233e+00 3.46 -2.494973040e+00 -2.494973040e+00 3.48 -2.421938055e+00 -2.421938055e+00 3.50 -2.350206653e+00 -2.350206653e+00 3.52 -2.279666123e+00 -2.279666123e+00 3.54 -2.210198575e+00 -2.210198575e+00 3.56 -2.141686926e+00 -2.141686926e+00 3.58 -2.074020023e+00 -2.074020023e+00 3.60 -2.007097130e+00 -2.007097130e+00 3.62 -1.940831971e+00 -1.940831971e+00 3.64 -1.875156510e+00 -1.875156510e+00 3.66 -1.810024536e+00 -1.810024536e+00 3.68 -1.745414993e+00 -1.745414993e+00 3.70 -1.681334906e+00 -1.681334906e+00 3.72 -1.617821573e+00 -1.617821573e+00 3.74 -1.554943677e+00 -1.554943677e+00 3.76 -1.492800863e+00 -1.492800863e+00 3.78 -1.431521413e+00 -1.431521413e+00 3.80 -1.371257739e+00 -1.371257739e+00 3.82 -1.312179673e+00 -1.312179673e+00 3.84 -1.254465788e+00 -1.254465788e+00 3.86 -1.198293366e+00 -1.198293366e+00 3.88 -1.143827884e+00 -1.143827884e+00 3.90 -1.091213068e+00 -1.091213068e+00 3.92 -1.040562578e+00 -1.040562578e+00 3.94 -9.919541925e-01 -9.919541925e-01 3.96 -9.454269687e-01 -9.454269687e-01 3.98 -9.009815470e-01 -9.009815470e-01 4.00 -8.585832700e-01 -8.585832700e-01 4.02 -8.181675666e-01 -8.181675666e-01 4.04 -7.796468573e-01 -7.796468573e-01 4.06 -7.429182013e-01 -7.429182013e-01 4.08 -7.078709588e-01 -7.078709588e-01 4.10 -6.743938407e-01 -6.743938407e-01 4.12 -6.423808716e-01 -6.423808716e-01 4.14 -6.117358644e-01 -6.117358644e-01 4.16 -5.823752683e-01 -5.823752683e-01 4.18 -5.542292934e-01 -5.542292934e-01 4.20 -5.272414600e-01 -5.272414600e-01 4.22 -5.013668595e-01 -5.013668595e-01 4.24 -4.765695588e-01 -4.765695588e-01 4.26 -4.528196549e-01 -4.528196549e-01 4.28 -4.300904759e-01 -4.300904759e-01 4.30 -4.083563308e-01 -4.083563308e-01 4.32 -3.875910354e-01 -3.875910354e-01 4.34 -3.677672452e-01 -3.677672452e-01 4.36 -3.488564489e-01 -3.488564489e-01 4.38 -3.308293513e-01 -3.308293513e-01 4.40 -3.136563407e-01 -3.136563407e-01 4.42 -2.973077766e-01 -2.973077766e-01 4.44 -2.817539375e-01 -2.817539375e-01 4.46 -2.669645928e-01 -2.669645928e-01 4.48 -2.529082904e-01 -2.529082904e-01 4.50 -2.395515294e-01 -2.395515294e-01 4.52 -2.268580272e-01 -2.268580272e-01 4.54 -2.147882689e-01 -2.147882689e-01 4.56 -2.032994757e-01 -2.032994757e-01 4.58 -1.923460467e-01 -1.923460467e-01 4.60 -1.818804603e-01 -1.818804603e-01 4.62 -1.718545381e-01 -1.718545381e-01 4.64 -1.622209892e-01 -1.622209892e-01 4.66 -1.529350806e-01 -1.529350806e-01 4.68 -1.439562747e-01 -1.439562747e-01 4.70 -1.352497339e-01 -1.352497339e-01 4.72 -1.267882494e-01 -1.267882494e-01 4.74 -1.185516562e-01 -1.185516562e-01 4.76 -1.105278215e-01 -1.105278215e-01 4.78 -1.027137747e-01 -1.027137747e-01 4.80 -9.511472991e-02 -9.511472991e-02 4.82 -8.774313349e-02 -8.774313349e-02 4.84 -8.061727563e-02 -8.061727563e-02 4.86 -7.375954932e-02 -7.375954932e-02 4.88 -6.719447424e-02 -6.719447424e-02 4.90 -6.094664528e-02 -6.094664528e-02 4.92 -5.503877514e-02 -5.503877514e-02 4.94 -4.948999133e-02 -4.948999133e-02 4.96 -4.431451560e-02 -4.431451560e-02 4.98 -3.952080580e-02 -3.952080580e-02 5.00 -3.511118346e-02 -3.511118346e-02 5.02 -3.108191702e-02 -3.108191702e-02 5.04 -2.742368808e-02 -2.742368808e-02 5.06 -2.412234151e-02 -2.412234151e-02 5.08 -2.115981050e-02 -2.115981050e-02 5.10 -1.851511223e-02 -1.851511223e-02 5.12 -1.616533239e-02 -1.616533239e-02 5.14 -1.408652886e-02 -1.408652886e-02 5.16 -1.225446944e-02 -1.225446944e-02 5.18 -1.064505417e-02 -1.064505417e-02 5.20 -9.235575154e-03 -9.235575154e-03 5.22 -8.004564453e-03 -8.004564453e-03 5.24 -6.931941969e-03 -6.931941969e-03 5.26 -5.999189240e-03 -5.999189240e-03 5.28 -5.189426466e-03 -5.189426466e-03 5.30 -4.487416632e-03 -4.487416632e-03 5.32 -3.879517344e-03 -3.879517344e-03 5.34 -3.353597347e-03 -3.353597347e-03 5.36 -2.898931158e-03 -2.898931158e-03 5.38 -2.506082096e-03 -2.506082096e-03 5.40 -2.166781269e-03 -2.166781269e-03 5.42 -1.873807889e-03 -1.873807889e-03 5.44 -1.620874531e-03 -1.620874531e-03 5.46 -1.402519611e-03 -1.402519611e-03 5.48 -1.214008346e-03 -1.214008346e-03 5.50 -1.051242762e-03 -1.051242762e-03 5.52 -9.106807826e-04 -9.106807826e-04 5.54 -7.892641148e-04 -7.892641148e-04 5.56 -6.843544142e-04 -6.843544142e-04 5.58 -5.936771121e-04 -5.936771121e-04 5.60 -5.152722110e-04 -5.152722110e-04 5.62 -4.474513546e-04 -4.474513546e-04 5.64 -3.887604915e-04 -3.887604915e-04 5.66 -3.379474900e-04 -3.379474900e-04 5.68 -2.939341087e-04 -2.939341087e-04 5.70 -2.557917802e-04 -2.557917802e-04 5.72 -2.227207199e-04 -2.227207199e-04 5.74 -1.940319247e-04 -1.940319247e-04 5.76 -1.691316746e-04 -1.691316746e-04 5.78 -1.475082014e-04 -1.475082014e-04 5.80 -1.287202255e-04 -1.287202255e-04 5.82 -1.123871042e-04 -1.123871042e-04 5.84 -9.818036626e-05 -9.818036626e-05 5.86 -8.581643971e-05 -8.581643971e-05 5.88 -7.505040402e-05 -7.505040402e-05 5.90 -6.567062283e-05 -6.567062283e-05 5.92 -5.749413229e-05 -5.749413229e-05 5.94 -5.036267813e-05 -5.036267813e-05 5.96 -4.413930923e-05 -4.413930923e-05 5.98 -3.870544903e-05 -3.870544903e-05 6.00 -3.395837667e-05 -3.395837667e-05