# 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 = AuCo2Ni # 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 1.722716989e+02 1.722716989e+02 1.30 1.584145618e+02 1.584145618e+02 1.32 1.456446209e+02 1.456446209e+02 1.34 1.338711959e+02 1.338711959e+02 1.36 1.230117364e+02 1.230117364e+02 1.38 1.129915853e+02 1.129915853e+02 1.40 1.037431777e+02 1.037431777e+02 1.42 9.520483266e+01 9.520483266e+01 1.44 8.731966838e+01 8.731966838e+01 1.46 8.003508061e+01 8.003508061e+01 1.48 7.330268374e+01 7.330268374e+01 1.50 6.707824606e+01 6.707824606e+01 1.52 6.132144260e+01 6.132144260e+01 1.54 5.599553516e+01 5.599553516e+01 1.56 5.106698804e+01 5.106698804e+01 1.58 4.650500707e+01 4.650500707e+01 1.60 4.228115100e+01 4.228115100e+01 1.62 3.836915694e+01 3.836915694e+01 1.64 3.474562462e+01 3.474562462e+01 1.66 3.140004899e+01 3.140004899e+01 1.68 2.831633367e+01 2.831633367e+01 1.70 2.547539942e+01 2.547539942e+01 1.72 2.285906269e+01 2.285906269e+01 1.74 2.045069997e+01 2.045069997e+01 1.76 1.823496228e+01 1.823496228e+01 1.78 1.619750374e+01 1.619750374e+01 1.80 1.432485653e+01 1.432485653e+01 1.82 1.260445971e+01 1.260445971e+01 1.84 1.102472324e+01 1.102472324e+01 1.86 9.575014083e+00 9.575014083e+00 1.88 8.245540070e+00 8.245540070e+00 1.90 7.027183565e+00 7.027183565e+00 1.92 5.911360723e+00 5.911360723e+00 1.94 4.889962191e+00 4.889962191e+00 1.96 3.955379874e+00 3.955379874e+00 1.98 3.100572314e+00 3.100572314e+00 2.00 2.319110006e+00 2.319110006e+00 2.02 1.605174405e+00 1.605174405e+00 2.04 9.535173088e-01 9.535173088e-01 2.06 3.593967473e-01 3.593967473e-01 2.08 -1.814962238e-01 -1.814962238e-01 2.10 -6.731071608e-01 -6.731071608e-01 2.12 -1.119075041e+00 -1.119075041e+00 2.14 -1.522772344e+00 -1.522772344e+00 2.16 -1.887329372e+00 -1.887329372e+00 2.18 -2.215647610e+00 -2.215647610e+00 2.20 -2.510409936e+00 -2.510409936e+00 2.22 -2.774095563e+00 -2.774095563e+00 2.24 -3.009003375e+00 -3.009003375e+00 2.26 -3.217281444e+00 -3.217281444e+00 2.28 -3.400956841e+00 -3.400956841e+00 2.30 -3.561959450e+00 -3.561959450e+00 2.32 -3.702134628e+00 -3.702134628e+00 2.34 -3.823241625e+00 -3.823241625e+00 2.36 -3.926938453e+00 -3.926938453e+00 2.38 -4.014759654e+00 -4.014759654e+00 2.40 -4.088097873e+00 -4.088097873e+00 2.42 -4.148199224e+00 -4.148199224e+00 2.44 -4.196175854e+00 -4.196175854e+00 2.46 -4.233101557e+00 -4.233101557e+00 2.48 -4.259896468e+00 -4.259896468e+00 2.50 -4.277308605e+00 -4.277308605e+00 2.52 -4.286075080e+00 -4.286075080e+00 2.54 -4.286934546e+00 -4.286934546e+00 2.56 -4.280704179e+00 -4.280704179e+00 2.58 -4.268046157e+00 -4.268046157e+00 2.60 -4.249475796e+00 -4.249475796e+00 2.62 -4.225325831e+00 -4.225325831e+00 2.64 -4.195882196e+00 -4.195882196e+00 2.66 -4.161468466e+00 -4.161468466e+00 2.68 -4.122419755e+00 -4.122419755e+00 2.70 -4.079064052e+00 -4.079064052e+00 2.72 -4.031714683e+00 -4.031714683e+00 2.74 -3.980682355e+00 -3.980682355e+00 2.76 -3.926279257e+00 -3.926279257e+00 2.78 -3.868816836e+00 -3.868816836e+00 2.80 -3.808599455e+00 -3.808599455e+00 2.82 -3.745916555e+00 -3.745916555e+00 2.84 -3.681036455e+00 -3.681036455e+00 2.86 -3.614203788e+00 -3.614203788e+00 2.88 -3.545640973e+00 -3.545640973e+00 2.90 -3.475552970e+00 -3.475552970e+00 2.92 -3.404134171e+00 -3.404134171e+00 2.94 -3.331576380e+00 -3.331576380e+00 2.96 -3.258076912e+00 -3.258076912e+00 2.98 -3.183845712e+00 -3.183845712e+00 3.00 -3.109110008e+00 -3.109110008e+00 3.02 -3.034114786e+00 -3.034114786e+00 3.04 -2.959117810e+00 -2.959117810e+00 3.06 -2.884379167e+00 -2.884379167e+00 3.08 -2.810147165e+00 -2.810147165e+00 3.10 -2.736643943e+00 -2.736643943e+00 3.12 -2.664054407e+00 -2.664054407e+00 3.14 -2.592520956e+00 -2.592520956e+00 3.16 -2.522144387e+00 -2.522144387e+00 3.18 -2.452989615e+00 -2.452989615e+00 3.20 -2.385093939e+00 -2.385093939e+00 3.22 -2.318475675e+00 -2.318475675e+00 3.24 -2.253141657e+00 -2.253141657e+00 3.26 -2.189092899e+00 -2.189092899e+00 3.28 -2.126328325e+00 -2.126328325e+00 3.30 -2.064846826e+00 -2.064846826e+00 3.32 -2.004648068e+00 -2.004648068e+00 3.34 -1.945732458e+00 -1.945732458e+00 3.36 -1.888100631e+00 -1.888100631e+00 3.38 -1.831752710e+00 -1.831752710e+00 3.40 -1.776687537e+00 -1.776687537e+00 3.42 -1.722901963e+00 -1.722901963e+00 3.44 -1.670390286e+00 -1.670390286e+00 3.46 -1.619143836e+00 -1.619143836e+00 3.48 -1.569150735e+00 -1.569150735e+00 3.50 -1.520395800e+00 -1.520395800e+00 3.52 -1.472860593e+00 -1.472860593e+00 3.54 -1.426523580e+00 -1.426523580e+00 3.56 -1.381360391e+00 -1.381360391e+00 3.58 -1.337344152e+00 -1.337344152e+00 3.60 -1.294445892e+00 -1.294445892e+00 3.62 -1.252635008e+00 -1.252635008e+00 3.64 -1.211879823e+00 -1.211879823e+00 3.66 -1.172148221e+00 -1.172148221e+00 3.68 -1.133408403e+00 -1.133408403e+00 3.70 -1.095629745e+00 -1.095629745e+00 3.72 -1.058783738e+00 -1.058783738e+00 3.74 -1.022844978e+00 -1.022844978e+00 3.76 -9.877921017e-01 -9.877921017e-01 3.78 -9.536085725e-01 -9.536085725e-01 3.80 -9.202831697e-01 -9.202831697e-01 3.82 -8.878100561e-01 -8.878100561e-01 3.84 -8.561883053e-01 -8.561883053e-01 3.86 -8.254208381e-01 -8.254208381e-01 3.88 -7.955128031e-01 -7.955128031e-01 3.90 -7.664695459e-01 -7.664695459e-01 3.92 -7.382944031e-01 -7.382944031e-01 3.94 -7.109866193e-01 -7.109866193e-01 3.96 -6.845396697e-01 -6.845396697e-01 3.98 -6.589402146e-01 -6.589402146e-01 4.00 -6.341677827e-01 -6.341677827e-01 4.02 -6.101951666e-01 -6.101951666e-01 4.04 -5.869894095e-01 -5.869894095e-01 4.06 -5.645132105e-01 -5.645132105e-01 4.08 -5.427265669e-01 -5.427265669e-01 4.10 -5.215885010e-01 -5.215885010e-01 4.12 -5.010587626e-01 -5.010587626e-01 4.14 -4.810994225e-01 -4.810994225e-01 4.16 -4.616763234e-01 -4.616763234e-01 4.18 -4.427603276e-01 -4.427603276e-01 4.20 -4.243283118e-01 -4.243283118e-01 4.22 -4.063638342e-01 -4.063638342e-01 4.24 -3.888573970e-01 -3.888573970e-01 4.26 -3.718062361e-01 -3.718062361e-01 4.28 -3.552136130e-01 -3.552136130e-01 4.30 -3.390876484e-01 -3.390876484e-01 4.32 -3.234398129e-01 -3.234398129e-01 4.34 -3.082832561e-01 -3.082832561e-01 4.36 -2.936311853e-01 -2.936311853e-01 4.38 -2.794954827e-01 -2.794954827e-01 4.40 -2.658856828e-01 -2.658856828e-01 4.42 -2.528083387e-01 -2.528083387e-01 4.44 -2.402667158e-01 -2.402667158e-01 4.46 -2.282606953e-01 -2.282606953e-01 4.48 -2.167867596e-01 -2.167867596e-01 4.50 -2.058379626e-01 -2.058379626e-01 4.52 -1.954038476e-01 -1.954038476e-01 4.54 -1.854703326e-01 -1.854703326e-01 4.56 -1.760196271e-01 -1.760196271e-01 4.58 -1.670302564e-01 -1.670302564e-01 4.60 -1.584772594e-01 -1.584772594e-01 4.62 -1.503325921e-01 -1.503325921e-01 4.64 -1.425657342e-01 -1.425657342e-01 4.66 -1.351444647e-01 -1.351444647e-01 4.68 -1.280357551e-01 -1.280357551e-01 4.70 -1.212067230e-01 -1.212067230e-01 4.72 -1.146255953e-01 -1.146255953e-01 4.74 -1.082626419e-01 -1.082626419e-01 4.76 -1.020910521e-01 -1.020910521e-01 4.78 -9.608773166e-02 -9.608773166e-02 4.80 -9.023400120e-02 -9.023400120e-02 4.82 -8.451617408e-02 -8.451617408e-02 4.84 -7.892597234e-02 -7.892597234e-02 4.86 -7.346075032e-02 -7.346075032e-02 4.88 -6.812347000e-02 -6.812347000e-02 4.90 -6.292238862e-02 -6.292238862e-02 4.92 -5.787043019e-02 -5.787043019e-02 4.94 -5.298424121e-02 -5.298424121e-02 4.96 -4.828296889e-02 -4.828296889e-02 4.98 -4.378683966e-02 -4.378683966e-02 5.00 -3.951565322e-02 -3.951565322e-02 5.02 -3.548733092e-02 -3.548733092e-02 5.04 -3.171664972e-02 -3.171664972e-02 5.06 -2.821427535e-02 -2.821427535e-02 5.08 -2.498594678e-02 -2.498594678e-02 5.10 -2.203244275e-02 -2.203244275e-02 5.12 -1.935018435e-02 -1.935018435e-02 5.14 -1.693149622e-02 -1.693149622e-02 5.16 -1.476495930e-02 -1.476495930e-02 5.18 -1.283622638e-02 -1.283622638e-02 5.20 -1.112888048e-02 -1.112888048e-02 5.22 -9.625248659e-03 -9.625248659e-03 5.24 -8.307123062e-03 -8.307123062e-03 5.26 -7.156362011e-03 -7.156362011e-03 5.28 -6.155361896e-03 -6.155361896e-03 5.30 -5.287403737e-03 -5.287403737e-03 5.32 -4.536886952e-03 -4.536886952e-03 5.34 -3.889467410e-03 -3.889467410e-03 5.36 -3.332118387e-03 -3.332118387e-03 5.38 -2.853132473e-03 -2.853132473e-03 5.40 -2.442080592e-03 -2.442080592e-03 5.42 -2.089741872e-03 -2.089741872e-03 5.44 -1.788015447e-03 -1.788015447e-03 5.46 -1.529822795e-03 -1.529822795e-03 5.48 -1.309006991e-03 -1.309006991e-03 5.50 -1.120233444e-03 -1.120233444e-03 5.52 -9.588951295e-04 -9.588951295e-04 5.54 -8.210242636e-04 -8.210242636e-04 5.56 -7.032114136e-04 -7.032114136e-04 5.58 -6.025324774e-04 -6.025324774e-04 5.60 -5.164834967e-04 -5.164834967e-04 5.62 -4.429229932e-04 -4.429229932e-04 5.64 -3.800213373e-04 -3.800213373e-04 5.66 -3.262165617e-04 -3.262165617e-04 5.68 -2.801759943e-04 -2.801759943e-04 5.70 -2.407630815e-04 -2.407630815e-04 5.72 -2.070087997e-04 -2.070087997e-04 5.74 -1.780870894e-04 -1.780870894e-04 5.76 -1.532937958e-04 -1.532937958e-04 5.78 -1.320286506e-04 -1.320286506e-04 5.80 -1.137798788e-04 -1.137798788e-04 5.82 -9.811106613e-05 -9.811106613e-05 5.84 -8.464996486e-05 -8.464996486e-05 5.86 -7.307895990e-05 -7.307895990e-05 5.88 -6.312695371e-05 -6.312695371e-05 5.90 -5.456246165e-05 -5.456246165e-05 5.92 -4.718773874e-05 -4.718773874e-05 5.94 -4.083378458e-05 -4.083378458e-05 5.96 -3.535609535e-05 -3.535609535e-05 5.98 -3.063105099e-05 -3.063105099e-05 6.00 -2.655284212e-05 -2.655284212e-05