# 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 = Ag2CoPd # 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 2.414172265e+02 2.414172265e+02 1.30 2.231244501e+02 2.231244501e+02 1.32 2.062158318e+02 2.062158318e+02 1.34 1.905803827e+02 1.905803827e+02 1.36 1.761156542e+02 1.761156542e+02 1.38 1.627266939e+02 1.627266939e+02 1.40 1.503260205e+02 1.503260205e+02 1.42 1.388340973e+02 1.388340973e+02 1.44 1.281794740e+02 1.281794740e+02 1.46 1.182981118e+02 1.182981118e+02 1.48 1.091321356e+02 1.091321356e+02 1.50 1.006285646e+02 1.006285646e+02 1.52 9.273830997e+01 9.273830997e+01 1.54 8.541552329e+01 8.541552329e+01 1.56 7.861732368e+01 7.861732368e+01 1.58 7.230378394e+01 7.230378394e+01 1.60 6.643798275e+01 6.643798275e+01 1.62 6.098601804e+01 6.098601804e+01 1.64 5.592675883e+01 5.592675883e+01 1.66 5.124528475e+01 5.124528475e+01 1.68 4.691434584e+01 4.691434584e+01 1.70 4.290811189e+01 4.290811189e+01 1.72 3.920265797e+01 3.920265797e+01 1.74 3.577565791e+01 3.577565791e+01 1.76 3.260622841e+01 3.260622841e+01 1.78 2.967491951e+01 2.967491951e+01 1.80 2.696377015e+01 2.696377015e+01 1.82 2.445632375e+01 2.445632375e+01 1.84 2.213755065e+01 2.213755065e+01 1.86 1.999370321e+01 1.999370321e+01 1.88 1.801216135e+01 1.801216135e+01 1.90 1.618130001e+01 1.618130001e+01 1.92 1.449037378e+01 1.449037378e+01 1.94 1.292940857e+01 1.292940857e+01 1.96 1.148910714e+01 1.148910714e+01 1.98 1.016078358e+01 1.016078358e+01 2.00 8.936329653e+00 8.936329653e+00 2.02 7.808197695e+00 7.808197695e+00 2.04 6.769379171e+00 6.769379171e+00 2.06 5.813369159e+00 5.813369159e+00 2.08 4.934121801e+00 4.934121801e+00 2.10 4.126007797e+00 4.126007797e+00 2.12 3.383781606e+00 3.383781606e+00 2.14 2.702559964e+00 2.702559964e+00 2.16 2.077809784e+00 2.077809784e+00 2.18 1.505342047e+00 1.505342047e+00 2.20 9.813069357e-01 9.813069357e-01 2.22 5.021845999e-01 5.021845999e-01 2.24 6.476742452e-02 6.476742452e-02 2.26 -3.338667187e-01 -3.338667187e-01 2.28 -6.963875881e-01 -6.963875881e-01 2.30 -1.025248251e+00 -1.025248251e+00 2.32 -1.322720035e+00 -1.322720035e+00 2.34 -1.590924262e+00 -1.590924262e+00 2.36 -1.831859024e+00 -1.831859024e+00 2.38 -2.047419913e+00 -2.047419913e+00 2.40 -2.239414767e+00 -2.239414767e+00 2.42 -2.409573782e+00 -2.409573782e+00 2.44 -2.559576854e+00 -2.559576854e+00 2.46 -2.691046223e+00 -2.691046223e+00 2.48 -2.805465488e+00 -2.805465488e+00 2.50 -2.904263852e+00 -2.904263852e+00 2.52 -2.988811688e+00 -2.988811688e+00 2.54 -3.060488366e+00 -3.060488366e+00 2.56 -3.120856947e+00 -3.120856947e+00 2.58 -3.170909036e+00 -3.170909036e+00 2.60 -3.211506054e+00 -3.211506054e+00 2.62 -3.243407075e+00 -3.243407075e+00 2.64 -3.267319794e+00 -3.267319794e+00 2.66 -3.283899575e+00 -3.283899575e+00 2.68 -3.293734680e+00 -3.293734680e+00 2.70 -3.297354163e+00 -3.297354163e+00 2.72 -3.295257541e+00 -3.295257541e+00 2.74 -3.287878597e+00 -3.287878597e+00 2.76 -3.275753684e+00 -3.275753684e+00 2.78 -3.259203404e+00 -3.259203404e+00 2.80 -3.238335374e+00 -3.238335374e+00 2.82 -3.213291527e+00 -3.213291527e+00 2.84 -3.184247880e+00 -3.184247880e+00 2.86 -3.151413518e+00 -3.151413518e+00 2.88 -3.115028497e+00 -3.115028497e+00 2.90 -3.075360423e+00 -3.075360423e+00 2.92 -3.032703323e+00 -3.032703323e+00 2.94 -2.987380998e+00 -2.987380998e+00 2.96 -2.939726287e+00 -2.939726287e+00 2.98 -2.890071607e+00 -2.890071607e+00 3.00 -2.838744610e+00 -2.838744610e+00 3.02 -2.786064963e+00 -2.786064963e+00 3.04 -2.732341266e+00 -2.732341266e+00 3.06 -2.677866871e+00 -2.677866871e+00 3.08 -2.622914018e+00 -2.622914018e+00 3.10 -2.567726974e+00 -2.567726974e+00 3.12 -2.512515782e+00 -2.512515782e+00 3.14 -2.457452396e+00 -2.457452396e+00 3.16 -2.402670296e+00 -2.402670296e+00 3.18 -2.348267601e+00 -2.348267601e+00 3.20 -2.294312817e+00 -2.294312817e+00 3.22 -2.240851901e+00 -2.240851901e+00 3.24 -2.187915416e+00 -2.187915416e+00 3.26 -2.135524864e+00 -2.135524864e+00 3.28 -2.083697713e+00 -2.083697713e+00 3.30 -2.032450981e+00 -2.032450981e+00 3.32 -1.981803495e+00 -1.981803495e+00 3.34 -1.931777023e+00 -1.931777023e+00 3.36 -1.882396540e+00 -1.882396540e+00 3.38 -1.833689872e+00 -1.833689872e+00 3.40 -1.785686914e+00 -1.785686914e+00 3.42 -1.738418613e+00 -1.738418613e+00 3.44 -1.691915837e+00 -1.691915837e+00 3.46 -1.646208257e+00 -1.646208257e+00 3.48 -1.601323311e+00 -1.601323311e+00 3.50 -1.557285297e+00 -1.557285297e+00 3.52 -1.514114638e+00 -1.514114638e+00 3.54 -1.471827323e+00 -1.471827323e+00 3.56 -1.430434517e+00 -1.430434517e+00 3.58 -1.389942347e+00 -1.389942347e+00 3.60 -1.350351832e+00 -1.350351832e+00 3.62 -1.311658973e+00 -1.311658973e+00 3.64 -1.273854973e+00 -1.273854973e+00 3.66 -1.236926588e+00 -1.236926588e+00 3.68 -1.200856605e+00 -1.200856605e+00 3.70 -1.165624419e+00 -1.165624419e+00 3.72 -1.131206701e+00 -1.131206701e+00 3.74 -1.097578119e+00 -1.097578119e+00 3.76 -1.064712085e+00 -1.064712085e+00 3.78 -1.032581484e+00 -1.032581484e+00 3.80 -1.001159349e+00 -1.001159349e+00 3.82 -9.704194564e-01 -9.704194564e-01 3.84 -9.403368033e-01 -9.403368033e-01 3.86 -9.108879737e-01 -9.108879737e-01 3.88 -8.820513824e-01 -8.820513824e-01 3.90 -8.538074204e-01 -8.538074204e-01 3.92 -8.261385239e-01 -8.261385239e-01 3.94 -7.990292061e-01 -7.990292061e-01 3.96 -7.724660701e-01 -7.724660701e-01 3.98 -7.464378451e-01 -7.464378451e-01 4.00 -7.209354449e-01 -7.209354449e-01 4.02 -6.959520472e-01 -6.959520472e-01 4.04 -6.714831722e-01 -6.714831722e-01 4.06 -6.475267259e-01 -6.475267259e-01 4.08 -6.240829703e-01 -6.240829703e-01 4.10 -6.011543919e-01 -6.011543919e-01 4.12 -5.787454722e-01 -5.787454722e-01 4.14 -5.568623460e-01 -5.568623460e-01 4.16 -5.355124371e-01 -5.355124371e-01 4.18 -5.147040863e-01 -5.147040863e-01 4.20 -4.944462340e-01 -4.944462340e-01 4.22 -4.747481655e-01 -4.747481655e-01 4.24 -4.556192952e-01 -4.556192952e-01 4.26 -4.370689209e-01 -4.370689209e-01 4.28 -4.191058676e-01 -4.191058676e-01 4.30 -4.017379495e-01 -4.017379495e-01 4.32 -3.849712282e-01 -3.849712282e-01 4.34 -3.688091060e-01 -3.688091060e-01 4.36 -3.532513564e-01 -3.532513564e-01 4.38 -3.382932318e-01 -3.382932318e-01 4.40 -3.239247914e-01 -3.239247914e-01 4.42 -3.101305648e-01 -3.101305648e-01 4.44 -2.968896074e-01 -2.968896074e-01 4.46 -2.841759469e-01 -2.841759469e-01 4.48 -2.719593647e-01 -2.719593647e-01 4.50 -2.602064212e-01 -2.602064212e-01 4.52 -2.488816243e-01 -2.488816243e-01 4.54 -2.379486409e-01 -2.379486409e-01 4.56 -2.273714719e-01 -2.273714719e-01 4.58 -2.171155305e-01 -2.171155305e-01 4.60 -2.071485865e-01 -2.071485865e-01 4.62 -1.974415524e-01 -1.974415524e-01 4.64 -1.879691008e-01 -1.879691008e-01 4.66 -1.787101066e-01 -1.787101066e-01 4.68 -1.696479116e-01 -1.696479116e-01 4.70 -1.607704127e-01 -1.607704127e-01 4.72 -1.520699794e-01 -1.520699794e-01 4.74 -1.435432176e-01 -1.435432176e-01 4.76 -1.351906031e-01 -1.351906031e-01 4.78 -1.270160234e-01 -1.270160234e-01 4.80 -1.190262715e-01 -1.190262715e-01 4.82 -1.112305426e-01 -1.112305426e-01 4.84 -1.036399540e-01 -1.036399540e-01 4.86 -9.626713502e-02 -9.626713502e-02 4.88 -8.912586565e-02 -8.912586565e-02 4.90 -8.223074970e-02 -8.223074970e-02 4.92 -7.559688277e-02 -7.559688277e-02 4.94 -6.923947266e-02 -6.923947266e-02 4.96 -6.317337947e-02 -6.317337947e-02 4.98 -5.741256087e-02 -5.741256087e-02 5.00 -5.196944927e-02 -5.196944927e-02 5.02 -4.685429346e-02 -4.685429346e-02 5.04 -4.207453593e-02 -4.207453593e-02 5.06 -3.763403277e-02 -3.763403277e-02 5.08 -3.353299040e-02 -3.353299040e-02 5.10 -2.976836117e-02 -2.976836117e-02 5.12 -2.633317007e-02 -2.633317007e-02 5.14 -2.321681024e-02 -2.321681024e-02 5.16 -2.040551583e-02 -2.040551583e-02 5.18 -1.788294432e-02 -1.788294432e-02 5.20 -1.563072262e-02 -1.563072262e-02 5.22 -1.362913404e-02 -1.362913404e-02 5.24 -1.185809386e-02 -1.185809386e-02 5.26 -1.029734246e-02 -1.029734246e-02 5.28 -8.926915773e-03 -8.926915773e-03 5.30 -7.727537450e-03 -7.727537450e-03 5.32 -6.680913614e-03 -6.680913614e-03 5.34 -5.769937015e-03 -5.769937015e-03 5.36 -4.978811606e-03 -4.978811606e-03 5.38 -4.293110676e-03 -4.293110676e-03 5.40 -3.699782057e-03 -3.699782057e-03 5.42 -3.187113268e-03 -3.187113268e-03 5.44 -2.744668010e-03 -2.744668010e-03 5.46 -2.363203718e-03 -2.363203718e-03 5.48 -2.034578015e-03 -2.034578015e-03 5.50 -1.751650205e-03 -1.751650205e-03 5.52 -1.508182385e-03 -1.508182385e-03 5.54 -1.298743431e-03 -1.298743431e-03 5.56 -1.118618067e-03 -1.118618067e-03 5.58 -9.637223646e-04 -9.637223646e-04 5.60 -8.305263849e-04 -8.305263849e-04 5.62 -7.159842143e-04 -7.159842143e-04 5.64 -6.174712965e-04 -6.174712965e-04 5.66 -5.327287569e-04 -5.327287569e-04 5.68 -4.598142643e-04 -4.598142643e-04 5.70 -3.970589057e-04 -3.970589057e-04 5.72 -3.430295114e-04 -3.430295114e-04 5.74 -2.964958701e-04 -2.964958701e-04 5.76 -2.564022910e-04 -2.564022910e-04 5.78 -2.218430045e-04 -2.218430045e-04 5.80 -1.920409294e-04 -1.920409294e-04 5.82 -1.663293818e-04 -1.663293818e-04 5.84 -1.441363419e-04 -1.441363419e-04 5.86 -1.249709374e-04 -1.249709374e-04 5.88 -1.084118435e-04 -1.084118435e-04 5.90 -9.409733539e-05 -9.409733539e-05 5.92 -8.171676405e-05 -8.171676405e-05 5.94 -7.100325337e-05 -7.100325337e-05 5.96 -6.172744729e-05 -6.172744729e-05 5.98 -5.369215631e-05 -5.369215631e-05 6.00 -4.672777463e-05 -4.672777463e-05