# 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 = AlCu2Pt # 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 1.456649289e+02 1.456649289e+02 1.30 1.348480490e+02 1.348480490e+02 1.32 1.247730429e+02 1.247730429e+02 1.34 1.154002628e+02 1.154002628e+02 1.36 1.066888825e+02 1.066888825e+02 1.38 9.859113308e+01 9.859113308e+01 1.40 9.105401747e+01 9.105401747e+01 1.42 8.402531227e+01 8.402531227e+01 1.44 7.745924049e+01 7.745924049e+01 1.46 7.131927750e+01 7.131927750e+01 1.48 6.557753415e+01 6.557753415e+01 1.50 6.021162400e+01 6.021162400e+01 1.52 5.520077219e+01 5.520077219e+01 1.54 5.052290373e+01 5.052290373e+01 1.56 4.615376109e+01 4.615376109e+01 1.58 4.206781080e+01 4.206781080e+01 1.60 3.823980179e+01 3.823980179e+01 1.62 3.467482859e+01 3.467482859e+01 1.64 3.138603499e+01 3.138603499e+01 1.66 2.835008625e+01 2.835008625e+01 1.68 2.554677640e+01 2.554677640e+01 1.70 2.295960854e+01 2.295960854e+01 1.72 2.057522292e+01 2.057522292e+01 1.74 1.838197445e+01 1.838197445e+01 1.76 1.636852894e+01 1.636852894e+01 1.78 1.452302373e+01 1.452302373e+01 1.80 1.283298779e+01 1.283298779e+01 1.82 1.128579035e+01 1.128579035e+01 1.84 9.869233790e+00 9.869233790e+00 1.86 8.572001622e+00 8.572001622e+00 1.88 7.383845765e+00 7.383845765e+00 1.90 6.295541558e+00 6.295541558e+00 1.92 5.298713305e+00 5.298713305e+00 1.94 4.385644177e+00 4.385644177e+00 1.96 3.549158003e+00 3.549158003e+00 1.98 2.782611164e+00 2.782611164e+00 2.00 2.079968196e+00 2.079968196e+00 2.02 1.435887404e+00 1.435887404e+00 2.04 8.457420876e-01 8.457420876e-01 2.06 3.055461587e-01 3.055461587e-01 2.08 -1.881926236e-01 -1.881926236e-01 2.10 -6.386372817e-01 -6.386372817e-01 2.12 -1.048753357e+00 -1.048753357e+00 2.14 -1.421382863e+00 -1.421382863e+00 2.16 -1.759262715e+00 -1.759262715e+00 2.18 -2.065006757e+00 -2.065006757e+00 2.20 -2.341073875e+00 -2.341073875e+00 2.22 -2.589739080e+00 -2.589739080e+00 2.24 -2.813076930e+00 -2.813076930e+00 2.26 -3.012962010e+00 -3.012962010e+00 2.28 -3.191087589e+00 -3.191087589e+00 2.30 -3.348997392e+00 -3.348997392e+00 2.32 -3.488125940e+00 -3.488125940e+00 2.34 -3.610840263e+00 -3.610840263e+00 2.36 -3.718770505e+00 -3.718770505e+00 2.38 -3.812621017e+00 -3.812621017e+00 2.40 -3.893066948e+00 -3.893066948e+00 2.42 -3.960766271e+00 -3.960766271e+00 2.44 -4.016386634e+00 -4.016386634e+00 2.46 -4.060639507e+00 -4.060639507e+00 2.48 -4.094311143e+00 -4.094311143e+00 2.50 -4.118280588e+00 -4.118280588e+00 2.52 -4.133517358e+00 -4.133517358e+00 2.54 -4.141055587e+00 -4.141055587e+00 2.56 -4.141947886e+00 -4.141947886e+00 2.58 -4.137208890e+00 -4.137208890e+00 2.60 -4.127761888e+00 -4.127761888e+00 2.62 -4.114399960e+00 -4.114399960e+00 2.64 -4.097800487e+00 -4.097800487e+00 2.66 -4.079368935e+00 -4.079368935e+00 2.68 -4.059372072e+00 -4.059372072e+00 2.70 -4.037449099e+00 -4.037449099e+00 2.72 -4.013311825e+00 -4.013311825e+00 2.74 -3.986734894e+00 -3.986734894e+00 2.76 -3.957542469e+00 -3.957542469e+00 2.78 -3.925593820e+00 -3.925593820e+00 2.80 -3.890771753e+00 -3.890771753e+00 2.82 -3.852977905e+00 -3.852977905e+00 2.84 -3.812158715e+00 -3.812158715e+00 2.86 -3.768314119e+00 -3.768314119e+00 2.88 -3.721480229e+00 -3.721480229e+00 2.90 -3.671746094e+00 -3.671746094e+00 2.92 -3.619270010e+00 -3.619270010e+00 2.94 -3.564289381e+00 -3.564289381e+00 2.96 -3.507121076e+00 -3.507121076e+00 2.98 -3.448150673e+00 -3.448150673e+00 3.00 -3.387811311e+00 -3.387811311e+00 3.02 -3.326555420e+00 -3.326555420e+00 3.04 -3.264824338e+00 -3.264824338e+00 3.06 -3.203020960e+00 -3.203020960e+00 3.08 -3.141488915e+00 -3.141488915e+00 3.10 -3.080499983e+00 -3.080499983e+00 3.12 -3.020249346e+00 -3.020249346e+00 3.14 -2.960863877e+00 -2.960863877e+00 3.16 -2.902450903e+00 -2.902450903e+00 3.18 -2.845066682e+00 -2.845066682e+00 3.20 -2.788702571e+00 -2.788702571e+00 3.22 -2.733303058e+00 -2.733303058e+00 3.24 -2.678781877e+00 -2.678781877e+00 3.26 -2.625035702e+00 -2.625035702e+00 3.28 -2.571955435e+00 -2.571955435e+00 3.30 -2.519435271e+00 -2.519435271e+00 3.32 -2.467379754e+00 -2.467379754e+00 3.34 -2.415708953e+00 -2.415708953e+00 3.36 -2.364361855e+00 -2.364361855e+00 3.38 -2.313298047e+00 -2.313298047e+00 3.40 -2.262497797e+00 -2.262497797e+00 3.42 -2.211960723e+00 -2.211960723e+00 3.44 -2.161703305e+00 -2.161703305e+00 3.46 -2.111755599e+00 -2.111755599e+00 3.48 -2.062157510e+00 -2.062157510e+00 3.50 -2.012954965e+00 -2.012954965e+00 3.52 -1.964196306e+00 -1.964196306e+00 3.54 -1.915929136e+00 -1.915929136e+00 3.56 -1.868197758e+00 -1.868197758e+00 3.58 -1.821041321e+00 -1.821041321e+00 3.60 -1.774492673e+00 -1.774492673e+00 3.62 -1.728577906e+00 -1.728577906e+00 3.64 -1.683316562e+00 -1.683316562e+00 3.66 -1.638722399e+00 -1.638722399e+00 3.68 -1.594804635e+00 -1.594804635e+00 3.70 -1.551569552e+00 -1.551569552e+00 3.72 -1.509022283e+00 -1.509022283e+00 3.74 -1.467168608e+00 -1.467168608e+00 3.76 -1.426016494e+00 -1.426016494e+00 3.78 -1.385577159e+00 -1.385577159e+00 3.80 -1.345865392e+00 -1.345865392e+00 3.82 -1.306898999e+00 -1.306898999e+00 3.84 -1.268697333e+00 -1.268697333e+00 3.86 -1.231279045e+00 -1.231279045e+00 3.88 -1.194659379e+00 -1.194659379e+00 3.90 -1.158847436e+00 -1.158847436e+00 3.92 -1.123843879e+00 -1.123843879e+00 3.94 -1.089639492e+00 -1.089639492e+00 3.96 -1.056214803e+00 -1.056214803e+00 3.98 -1.023540892e+00 -1.023540892e+00 4.00 -9.915812156e-01 -9.915812156e-01 4.02 -9.602942269e-01 -9.602942269e-01 4.04 -9.296364817e-01 -9.296364817e-01 4.06 -8.995659093e-01 -8.995659093e-01 4.08 -8.700449619e-01 -8.700449619e-01 4.10 -8.410433772e-01 -8.410433772e-01 4.12 -8.125404043e-01 -8.125404043e-01 4.14 -7.845261416e-01 -7.845261416e-01 4.16 -7.570020958e-01 -7.570020958e-01 4.18 -7.299807150e-01 -7.299807150e-01 4.20 -7.034840017e-01 -7.034840017e-01 4.22 -6.775413290e-01 -6.775413290e-01 4.24 -6.521867039e-01 -6.521867039e-01 4.26 -6.274557931e-01 -6.274557931e-01 4.28 -6.033830544e-01 -6.033830544e-01 4.30 -5.799992749e-01 -5.799992749e-01 4.32 -5.573297226e-01 -5.573297226e-01 4.34 -5.353929947e-01 -5.353929947e-01 4.36 -5.142005145e-01 -5.142005145e-01 4.38 -4.937565326e-01 -4.937565326e-01 4.40 -4.740584365e-01 -4.740584365e-01 4.42 -4.550971724e-01 -4.550971724e-01 4.44 -4.368576312e-01 -4.368576312e-01 4.46 -4.193189230e-01 -4.193189230e-01 4.48 -4.024545454e-01 -4.024545454e-01 4.50 -3.862325133e-01 -3.862325133e-01 4.52 -3.706155577e-01 -3.706155577e-01 4.54 -3.555614991e-01 -3.555614991e-01 4.56 -3.410238802e-01 -3.410238802e-01 4.58 -3.269528955e-01 -3.269528955e-01 4.60 -3.132966088e-01 -3.132966088e-01 4.62 -3.000024239e-01 -3.000024239e-01 4.64 -2.870187103e-01 -2.870187103e-01 4.66 -2.742965145e-01 -2.742965145e-01 4.68 -2.617912568e-01 -2.617912568e-01 4.70 -2.494643823e-01 -2.494643823e-01 4.72 -2.372848008e-01 -2.372848008e-01 4.74 -2.252298994e-01 -2.252298994e-01 4.76 -2.132869480e-01 -2.132869480e-01 4.78 -2.014539242e-01 -2.014539242e-01 4.80 -1.897374935e-01 -1.897374935e-01 4.82 -1.781542445e-01 -1.781542445e-01 4.84 -1.667297697e-01 -1.667297697e-01 4.86 -1.554972804e-01 -1.554972804e-01 4.88 -1.444958658e-01 -1.444958658e-01 4.90 -1.337685239e-01 -1.337685239e-01 4.92 -1.233600671e-01 -1.233600671e-01 4.94 -1.133150283e-01 -1.133150283e-01 4.96 -1.036756830e-01 -1.036756830e-01 4.98 -9.448029088e-02 -9.448029088e-02 5.00 -8.576163327e-02 -8.576163327e-02 5.02 -7.754589633e-02 -7.754589633e-02 5.04 -6.985192659e-02 -6.985192659e-02 5.06 -6.269086180e-02 -6.269086180e-02 5.08 -5.606612131e-02 -5.606612131e-02 5.10 -4.997372318e-02 -4.997372318e-02 5.12 -4.440288042e-02 -4.440288042e-02 5.14 -3.933681723e-02 -3.933681723e-02 5.16 -3.475373806e-02 -3.475373806e-02 5.18 -3.062788035e-02 -3.062788035e-02 5.20 -2.693058446e-02 -2.693058446e-02 5.22 -2.363132305e-02 -2.363132305e-02 5.24 -2.069864339e-02 -2.069864339e-02 5.26 -1.810098916e-02 -1.810098916e-02 5.28 -1.580738816e-02 -1.580738816e-02 5.30 -1.378799566e-02 -1.378799566e-02 5.32 -1.201445225e-02 -1.201445225e-02 5.34 -1.045995614e-02 -1.045995614e-02 5.36 -9.100176370e-03 -9.100176370e-03 5.38 -7.912822577e-03 -7.912822577e-03 5.40 -6.877571390e-03 -6.877571390e-03 5.42 -5.976054920e-03 -5.976054920e-03 5.44 -5.191794505e-03 -5.191794505e-03 5.46 -4.510097872e-03 -4.510097872e-03 5.48 -3.917933939e-03 -3.917933939e-03 5.50 -3.403796059e-03 -3.403796059e-03 5.52 -2.957561620e-03 -2.957561620e-03 5.54 -2.570353641e-03 -2.570353641e-03 5.56 -2.234408141e-03 -2.234408141e-03 5.58 -1.942949699e-03 -1.942949699e-03 5.60 -1.690076560e-03 -1.690076560e-03 5.62 -1.470655883e-03 -1.470655883e-03 5.64 -1.280229194e-03 -1.280229194e-03 5.66 -1.114927747e-03 -1.114927747e-03 5.68 -9.713972567e-04 -9.713972567e-04 5.70 -8.467313336e-04 -8.467313336e-04 5.72 -7.384128813e-04 -7.384128813e-04 5.74 -6.442626987e-04 -6.442626987e-04 5.76 -5.623945426e-04 -5.623945426e-04 5.78 -4.911759402e-04 -4.911759402e-04 5.80 -4.291940909e-04 -4.291940909e-04 5.82 -3.752262480e-04 -3.752262480e-04 5.84 -3.282140302e-04 -3.282140302e-04 5.86 -2.872411670e-04 -2.872411670e-04 5.88 -2.515142386e-04 -2.515142386e-04 5.90 -2.203460186e-04 -2.203460186e-04 5.92 -1.931410779e-04 -1.931410779e-04 5.94 -1.693833459e-04 -1.693833459e-04 5.96 -1.486253685e-04 -1.486253685e-04 5.98 -1.304790317e-04 -1.304790317e-04 6.00 -1.146075522e-04 -1.146075522e-04