# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1990--Ackland-G-J-Vitek-V--Cu-Ag-Au # implementation = 1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1 # composition = AgCu # 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 2023-05-12 r B1--NaCl--rock-s B1--NaCl--rock-s B2--CsCl B2--CsCl B3--ZnS--cubic-z B3--ZnS--cubic-z L1_0--AuCu L1_0--AuCu 0.50 nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan 0.72 nan nan nan nan 1.958685800e+02 1.958685800e+02 nan nan 0.74 nan nan nan nan 1.780894672e+02 1.780894672e+02 nan nan 0.76 nan nan nan nan 1.622010268e+02 1.622010268e+02 nan nan 0.78 nan nan nan nan 1.478850571e+02 1.478850571e+02 nan nan 0.80 2.230634669e+02 2.230634669e+02 nan nan 1.349052032e+02 1.349052032e+02 nan nan 0.82 2.050045525e+02 2.050045525e+02 nan nan 1.232075672e+02 1.232075672e+02 nan nan 0.84 1.886047339e+02 1.886047339e+02 nan nan 1.126546175e+02 1.126546175e+02 nan nan 0.86 1.737263231e+02 1.737263231e+02 nan nan 1.031040443e+02 1.031040443e+02 nan nan 0.88 1.602456926e+02 1.602456926e+02 nan nan 9.443073461e+01 9.443073461e+01 nan nan 0.90 1.479340764e+02 1.479340764e+02 nan nan 8.657738258e+01 8.657738258e+01 nan nan 0.92 1.366318470e+02 1.366318470e+02 1.861545047e+02 1.861545047e+02 7.943838834e+01 7.943838834e+01 1.977470923e+02 1.977470923e+02 0.94 1.263006848e+02 1.263006848e+02 1.727032204e+02 1.727032204e+02 7.291994406e+01 7.291994406e+01 1.835784164e+02 1.835784164e+02 0.96 1.168489654e+02 1.168489654e+02 1.603365493e+02 1.603365493e+02 6.695391350e+01 6.695391350e+01 1.706034771e+02 1.706034771e+02 0.98 1.081837306e+02 1.081837306e+02 1.489547975e+02 1.489547975e+02 6.149908665e+01 6.149908665e+01 1.586585860e+02 1.586585860e+02 1.00 1.002037769e+02 1.002037769e+02 1.385178661e+02 1.385178661e+02 5.651452996e+01 5.651452996e+01 1.476182181e+02 1.476182181e+02 1.02 9.285330621e+01 9.285330621e+01 1.289681872e+02 1.289681872e+02 5.196738467e+01 5.196738467e+01 1.374196610e+02 1.374196610e+02 1.04 8.609132983e+01 8.609132983e+01 1.201715508e+02 1.201715508e+02 4.777425396e+01 4.777425396e+01 1.280188287e+02 1.280188287e+02 1.06 7.984459009e+01 7.984459009e+01 1.120122781e+02 1.120122781e+02 4.386648824e+01 4.386648824e+01 1.193329997e+02 1.193329997e+02 1.08 7.405953567e+01 7.405953567e+01 1.044035142e+02 1.044035142e+02 4.021945619e+01 4.021945619e+01 1.112881156e+02 1.112881156e+02 1.10 6.869462281e+01 6.869462281e+01 9.732369903e+01 9.732369903e+01 3.685598835e+01 3.685598835e+01 1.038355095e+02 1.038355095e+02 1.12 6.372719309e+01 6.372719309e+01 9.075293087e+01 9.075293087e+01 3.377261241e+01 3.377261241e+01 9.693392158e+01 9.693392158e+01 1.14 5.913065287e+01 5.913065287e+01 8.466159260e+01 8.466159260e+01 3.093174537e+01 3.093174537e+01 9.053354358e+01 9.053354358e+01 1.16 5.488545686e+01 5.488545686e+01 7.900926474e+01 7.900926474e+01 2.830030089e+01 2.830030089e+01 8.458452108e+01 8.458452108e+01 1.18 5.096956616e+01 5.096956616e+01 7.374754508e+01 7.374754508e+01 2.586458539e+01 2.586458539e+01 7.904266754e+01 7.904266754e+01 1.20 4.732334606e+01 4.732334606e+01 6.884464531e+01 6.884464531e+01 2.362312543e+01 2.362312543e+01 7.388537493e+01 7.388537493e+01 1.22 4.390716819e+01 4.390716819e+01 6.425809563e+01 6.425809563e+01 2.155416326e+01 2.155416326e+01 6.908767740e+01 6.908767740e+01 1.24 4.070124689e+01 4.070124689e+01 5.996458435e+01 5.996458435e+01 1.962602350e+01 1.962602350e+01 6.461858509e+01 6.461858509e+01 1.26 3.771499889e+01 3.771499889e+01 5.595151506e+01 5.595151506e+01 1.781749057e+01 1.781749057e+01 6.043861778e+01 6.043861778e+01 1.28 3.495731167e+01 3.495731167e+01 5.219712445e+01 5.219712445e+01 1.612111116e+01 1.612111116e+01 5.652176248e+01 5.652176248e+01 1.30 3.240525530e+01 3.240525530e+01 4.868145133e+01 4.868145133e+01 1.454609919e+01 1.454609919e+01 5.284749063e+01 5.284749063e+01 1.32 3.003211712e+01 3.003211712e+01 4.539259786e+01 4.539259786e+01 1.309836798e+01 1.309836798e+01 4.940525627e+01 4.940525627e+01 1.34 2.781484347e+01 2.781484347e+01 4.231741015e+01 4.231741015e+01 1.177309918e+01 1.177309918e+01 4.619361068e+01 4.619361068e+01 1.36 2.574376178e+01 2.574376178e+01 3.945139780e+01 3.945139780e+01 1.055878301e+01 1.055878301e+01 4.319537975e+01 4.319537975e+01 1.38 2.381597285e+01 2.381597285e+01 3.678553649e+01 3.678553649e+01 9.439208182e+00 9.439208182e+00 4.039165360e+01 4.039165360e+01 1.40 2.201775591e+01 2.201775591e+01 3.430275996e+01 3.430275996e+01 8.403842991e+00 8.403842991e+00 3.777007440e+01 3.777007440e+01 1.42 2.032402165e+01 2.032402165e+01 3.198657053e+01 3.198657053e+01 7.446427672e+00 7.446427672e+00 3.531630017e+01 3.531630017e+01 1.44 1.871889889e+01 1.871889889e+01 2.982548764e+01 2.982548764e+01 6.565577631e+00 6.565577631e+00 3.301463408e+01 3.301463408e+01 1.46 1.719284553e+01 1.719284553e+01 2.780881973e+01 2.780881973e+01 5.760214014e+00 5.760214014e+00 3.085451285e+01 3.085451285e+01 1.48 1.574681920e+01 1.574681920e+01 2.592459143e+01 2.592459143e+01 5.023962468e+00 5.023962468e+00 2.882767589e+01 2.882767589e+01 1.50 1.438830041e+01 1.438830041e+01 2.416252068e+01 2.416252068e+01 4.350686105e+00 4.350686105e+00 2.692669802e+01 2.692669802e+01 1.52 1.312165372e+01 1.312165372e+01 2.251662674e+01 2.251662674e+01 3.739142064e+00 3.739142064e+00 2.514427623e+01 2.514427623e+01 1.54 1.194376412e+01 1.194376412e+01 2.098113246e+01 2.098113246e+01 3.188393049e+00 3.188393049e+00 2.347051021e+01 2.347051021e+01 1.56 1.084899439e+01 1.084899439e+01 1.954702179e+01 1.954702179e+01 2.694233146e+00 2.694233146e+00 2.189526310e+01 2.189526310e+01 1.58 9.826733251e+00 9.826733251e+00 1.819746233e+01 1.819746233e+01 2.244557530e+00 2.244557530e+00 2.041088335e+01 2.041088335e+01 1.60 8.868301913e+00 8.868301913e+00 1.691974575e+01 1.691974575e+01 1.831008783e+00 1.831008783e+00 1.901535358e+01 1.901535358e+01 1.62 7.968365807e+00 7.968365807e+00 1.570381802e+01 1.570381802e+01 1.448078364e+00 1.448078364e+00 1.770858116e+01 1.770858116e+01 1.64 7.123616898e+00 7.123616898e+00 1.454402718e+01 1.454402718e+01 1.093074092e+00 1.093074092e+00 1.648651211e+01 1.648651211e+01 1.66 6.333537360e+00 6.333537360e+00 1.344395240e+01 1.344395240e+01 7.687675370e-01 7.687675370e-01 1.533796171e+01 1.533796171e+01 1.68 5.597787452e+00 5.597787452e+00 1.240969528e+01 1.240969528e+01 4.790130985e-01 4.790130985e-01 1.425281113e+01 1.425281113e+01 1.70 4.913112912e+00 4.913112912e+00 1.144257991e+01 1.144257991e+01 2.232182273e-01 2.232182273e-01 1.322296395e+01 1.322296395e+01 1.72 4.274501331e+00 4.274501331e+00 1.053259243e+01 1.053259243e+01 -3.256267003e-03 -3.256267002e-03 1.224391219e+01 1.224391219e+01 1.74 3.680215623e+00 3.680215623e+00 9.668800225e+00 9.668800225e+00 -2.051479629e-01 -2.051479629e-01 1.131605847e+01 1.131605847e+01 1.76 3.129865445e+00 3.129865445e+00 8.844148431e+00 8.844148431e+00 -3.872208609e-01 -3.872208609e-01 1.044083249e+01 1.044083249e+01 1.78 2.623097652e+00 2.623097652e+00 8.052442431e+00 8.052442431e+00 -5.540510330e-01 -5.540510330e-01 9.616079952e+00 9.616079952e+00 1.80 2.156813992e+00 2.156813992e+00 7.293182779e+00 7.293182779e+00 -7.082343825e-01 -7.082343825e-01 8.835014896e+00 8.835014896e+00 1.82 1.722974734e+00 1.722974734e+00 6.570359038e+00 6.570359038e+00 -8.510724355e-01 -8.510724355e-01 8.093147055e+00 8.093147055e+00 1.84 1.316008797e+00 1.316008797e+00 5.888443951e+00 5.888443951e+00 -9.831785982e-01 -9.831785982e-01 7.387824387e+00 7.387824387e+00 1.86 9.329946573e-01 9.329946573e-01 5.248167123e+00 5.248167123e+00 -1.104768355e+00 -1.104768355e+00 6.717021901e+00 6.717021901e+00 1.88 5.716575582e-01 5.716575582e-01 4.647359793e+00 4.647359793e+00 -1.216041434e+00 -1.216041434e+00 6.080445010e+00 6.080445010e+00 1.90 2.334673013e-01 2.334673013e-01 4.083500780e+00 4.083500780e+00 -1.317484238e+00 -1.317484238e+00 5.477924780e+00 5.477924780e+00 1.92 -7.826565783e-02 -7.826565783e-02 3.552660297e+00 3.552660297e+00 -1.410941253e+00 -1.410941253e+00 4.907672954e+00 4.907672954e+00 1.94 -3.606648444e-01 -3.606648444e-01 3.050762194e+00 3.050762194e+00 -1.498273351e+00 -1.498273351e+00 4.367013676e+00 4.367013676e+00 1.96 -6.145987595e-01 -6.145987595e-01 2.575121183e+00 2.575121183e+00 -1.580257038e+00 -1.580257038e+00 3.853648397e+00 3.853648397e+00 1.98 -8.432376981e-01 -8.432376981e-01 2.124222553e+00 2.124222553e+00 -1.657472601e+00 -1.657472601e+00 3.365235374e+00 3.365235374e+00 2.00 -1.049697854e+00 -1.049697854e+00 1.697027294e+00 1.697027294e+00 -1.730213671e+00 -1.730213671e+00 2.900459930e+00 2.900459930e+00 2.02 -1.236576380e+00 -1.236576380e+00 1.293330423e+00 1.293330423e+00 -1.797945993e+00 -1.797945993e+00 2.458904949e+00 2.458904949e+00 2.04 -1.406988646e+00 -1.406988646e+00 9.131081678e-01 9.131081678e-01 -1.859960460e+00 -1.859960460e+00 2.040508783e+00 2.040508783e+00 2.06 -1.563817849e+00 -1.563817849e+00 5.562189092e-01 5.562189092e-01 -1.915658767e+00 -1.915658767e+00 1.645041216e+00 1.645041216e+00 2.08 -1.708524787e+00 -1.708524787e+00 2.216056800e-01 2.216056800e-01 -1.965278227e+00 -1.965278227e+00 1.271402282e+00 1.271402282e+00 2.10 -1.841990666e+00 -1.841990666e+00 -9.208337584e-02 -9.208337584e-02 -2.009372790e+00 -2.009372790e+00 9.183958122e-01 9.183958122e-01 2.12 -1.964689128e+00 -1.964689128e+00 -3.856462622e-01 -3.856462622e-01 -2.048489101e+00 -2.048489101e+00 5.851210396e-01 5.851210396e-01 2.14 -2.076850528e+00 -2.076850528e+00 -6.595745915e-01 -6.595745915e-01 -2.083179088e+00 -2.083179088e+00 2.704367247e-01 2.704367247e-01 2.16 -2.178696702e+00 -2.178696702e+00 -9.144217677e-01 -9.144217677e-01 -2.114043993e+00 -2.114043993e+00 -2.650365125e-02 -2.650365125e-02 2.18 -2.270453982e+00 -2.270453982e+00 -1.150807045e+00 -1.150807045e+00 -2.141718836e+00 -2.141718836e+00 -3.060051909e-01 -3.060051909e-01 2.20 -2.352861096e+00 -2.352861096e+00 -1.369670958e+00 -1.369670958e+00 -2.166494890e+00 -2.166494890e+00 -5.687836528e-01 -5.687836528e-01 2.22 -2.427375778e+00 -2.427375778e+00 -1.572652268e+00 -1.572652268e+00 -2.188433126e+00 -2.188433126e+00 -8.163932081e-01 -8.163932081e-01 2.24 -2.495129918e+00 -2.495129918e+00 -1.761133359e+00 -1.761133359e+00 -2.207610484e+00 -2.207610484e+00 -1.049738655e+00 -1.049738655e+00 2.26 -2.556614889e+00 -2.556614889e+00 -1.935913818e+00 -1.935913818e+00 -2.224100887e+00 -2.224100887e+00 -1.269099725e+00 -1.269099725e+00 2.28 -2.612251034e+00 -2.612251034e+00 -2.097736970e+00 -2.097736970e+00 -2.237976141e+00 -2.237976141e+00 -1.474718216e+00 -1.474718216e+00 2.30 -2.662382966e+00 -2.662382966e+00 -2.247272410e+00 -2.247272410e+00 -2.249316764e+00 -2.249316764e+00 -1.666984648e+00 -1.666984648e+00 2.32 -2.706847598e+00 -2.706847598e+00 -2.384641969e+00 -2.384641969e+00 -2.258297953e+00 -2.258297953e+00 -1.846010017e+00 -1.846010017e+00 2.34 -2.745251578e+00 -2.745251578e+00 -2.509200017e+00 -2.509200017e+00 -2.264711514e+00 -2.264711514e+00 -2.011659350e+00 -2.011659350e+00 2.36 -2.777202279e+00 -2.777202279e+00 -2.620508359e+00 -2.620508359e+00 -2.268535625e+00 -2.268535625e+00 -2.163782511e+00 -2.163782511e+00 2.38 -2.802487469e+00 -2.802487469e+00 -2.718624340e+00 -2.718624340e+00 -2.269979455e+00 -2.269979455e+00 -2.302393546e+00 -2.302393546e+00 2.40 -2.821503649e+00 -2.821503649e+00 -2.804366787e+00 -2.804366787e+00 -2.269244401e+00 -2.269244401e+00 -2.428252672e+00 -2.428252672e+00 2.42 -2.834770753e+00 -2.834770753e+00 -2.878715876e+00 -2.878715876e+00 -2.266523394e+00 -2.266523394e+00 -2.542324069e+00 -2.542324069e+00 2.44 -2.842781674e+00 -2.842781674e+00 -2.942646441e+00 -2.942646441e+00 -2.262000483e+00 -2.262000483e+00 -2.645528908e+00 -2.645528908e+00 2.46 -2.846019061e+00 -2.846019061e+00 -2.997127557e+00 -2.997127557e+00 -2.255850402e+00 -2.255850402e+00 -2.738593698e+00 -2.738593698e+00 2.48 -2.844961643e+00 -2.844961643e+00 -3.043122095e+00 -3.043122095e+00 -2.248238084e+00 -2.248238084e+00 -2.821869558e+00 -2.821869558e+00 2.50 -2.840084399e+00 -2.840084399e+00 -3.081586230e+00 -3.081586230e+00 -2.239318115e+00 -2.239318115e+00 -2.895695219e+00 -2.895695219e+00 2.52 -2.831817615e+00 -2.831817615e+00 -3.113424311e+00 -3.113424311e+00 -2.229256174e+00 -2.229256174e+00 -2.960087425e+00 -2.960087425e+00 2.54 -2.820361553e+00 -2.820361553e+00 -3.139287963e+00 -3.139287963e+00 -2.218331281e+00 -2.218331281e+00 -3.014931083e+00 -3.014931083e+00 2.56 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