# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Al # implementation = 2020--Farkas-D--Fe-Ni-Cr-Co-Al--LAMMPS--ipr1 # composition = AlNi3 # 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 2022-05-24 r A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 -3.705131008e+02 nan nan 0.92 -3.466141076e+02 nan nan 0.94 -3.248633909e+02 nan nan 0.96 -3.050462714e+02 nan nan 0.98 -2.867969050e+02 nan nan 1.00 -2.698217778e+02 nan nan 1.02 -2.539720886e+02 -3.309744495e+02 -3.606459933e+02 1.04 -2.392016414e+02 -3.125293051e+02 -3.397400862e+02 1.06 -2.253408567e+02 -2.953215327e+02 -3.204573352e+02 1.08 -2.123125293e+02 -2.792310913e+02 -3.024058526e+02 1.10 -2.001395972e+02 -2.640892391e+02 -2.854728208e+02 1.12 -1.888897812e+02 -2.497472804e+02 -2.696830176e+02 1.14 -1.786191312e+02 -2.361483684e+02 -2.551120760e+02 1.16 -1.692233712e+02 -2.232740067e+02 -2.417934468e+02 1.18 -1.605892216e+02 -2.111896193e+02 -2.296470487e+02 1.20 -1.525290226e+02 -1.999945400e+02 -2.186073043e+02 1.22 -1.448290730e+02 -1.897260810e+02 -2.085265162e+02 1.24 -1.373126909e+02 -1.803636829e+02 -1.991670622e+02 1.26 -1.298807591e+02 -1.718581546e+02 -1.903133821e+02 1.28 -1.225235334e+02 -1.641009329e+02 -1.817936426e+02 1.30 -1.152575623e+02 -1.569040659e+02 -1.735423521e+02 1.32 -1.081038805e+02 -1.500827082e+02 -1.655360752e+02 1.34 -1.010988579e+02 -1.434795061e+02 -1.577541210e+02 1.36 -9.425336299e+01 -1.369839985e+02 -1.502158044e+02 1.38 -8.756652013e+01 -1.305314272e+02 -1.429250968e+02 1.40 -8.103132114e+01 -1.240832551e+02 -1.358381630e+02 1.42 -7.465413125e+01 -1.175935828e+02 -1.289361333e+02 1.44 -6.845657981e+01 -1.110264831e+02 -1.222184375e+02 1.46 -6.244707459e+01 -1.043417493e+02 -1.156450286e+02 1.48 -5.661657050e+01 -9.753484410e+01 -1.091827209e+02 1.50 -5.094588228e+01 -9.066876526e+01 -1.028082672e+02 1.52 -4.542643546e+01 -8.383084479e+01 -9.649663539e+01 1.54 -4.007962639e+01 -7.709271100e+01 -9.023579107e+01 1.56 -3.494844375e+01 -7.051118267e+01 -8.403877172e+01 1.58 -3.008632804e+01 -6.414488140e+01 -7.793141203e+01 1.60 -2.553485280e+01 -5.804486806e+01 -7.194877528e+01 1.62 -2.129708421e+01 -5.223637908e+01 -6.611235498e+01 1.64 -1.736595651e+01 -4.675038257e+01 -6.042473689e+01 1.66 -1.374613802e+01 -4.162667171e+01 -5.489616731e+01 1.68 -1.046108260e+01 -3.688327624e+01 -4.954669370e+01 1.70 -7.563504789e+00 -3.251647274e+01 -4.441157227e+01 1.72 -5.466498458e+00 -2.851438522e+01 -3.953168776e+01 1.74 -4.086935676e+00 -2.485440058e+01 -3.494734983e+01 1.76 -3.223555506e+00 -2.151504304e+01 -3.069927447e+01 1.78 -2.723015251e+00 -1.846947081e+01 -2.679553216e+01 1.80 -2.469556098e+00 -1.568560256e+01 -2.322343000e+01 1.82 -2.380261984e+00 -1.313176865e+01 -1.996925273e+01 1.84 -2.398214808e+00 -1.078858896e+01 -1.702037364e+01 1.86 -2.483504919e+00 -8.735138843e+00 -1.435664981e+01 1.88 -2.608817577e+00 -6.959749868e+00 -1.195225810e+01 1.90 -2.755998168e+00 -5.530169786e+00 -9.782099773e+00 1.92 -2.912637047e+00 -4.499818953e+00 -7.826229154e+00 1.94 -3.070226472e+00 -3.782385106e+00 -6.216636365e+00 1.96 -3.222635187e+00 -3.307486400e+00 -5.027632088e+00 1.98 -3.365572869e+00 -3.015132159e+00 -4.163616580e+00 2.00 -3.497526267e+00 -2.858010051e+00 -3.550218824e+00 2.02 -3.617969833e+00 -2.800386917e+00 -3.130663748e+00 2.04 -3.725958963e+00 -2.815637163e+00 -2.862445117e+00 2.06 -3.819878058e+00 -2.883329446e+00 -2.715449267e+00 2.08 -3.897770462e+00 -2.987220579e+00 -2.665581425e+00 2.10 -3.958143907e+00 -3.114124449e+00 -2.690988638e+00 2.12 -4.000492490e+00 -3.253732226e+00 -2.773104935e+00 2.14 -4.027890946e+00 -3.397381918e+00 -2.895686306e+00 2.16 -4.044239688e+00 -3.537264665e+00 -3.043612836e+00 2.18 -4.053813974e+00 -3.666441779e+00 -3.203951381e+00 2.20 -4.061333173e+00 -3.777565900e+00 -3.366147261e+00 2.22 -4.069731120e+00 -3.865524962e+00 -3.521591657e+00 2.24 -4.078775402e+00 -3.931421880e+00 -3.664869796e+00 2.26 -4.087436391e+00 -3.980868968e+00 -3.792079420e+00 2.28 -4.094517761e+00 -4.018547794e+00 -3.900079225e+00 2.30 -4.098816392e+00 -4.048130652e+00 -3.986485878e+00 2.32 -4.098981506e+00 -4.072585579e+00 -4.049737461e+00 2.34 -4.093381381e+00 -4.092415591e+00 -4.091986612e+00 2.36 -4.080165117e+00 -4.107825660e+00 -4.118770240e+00 2.38 -4.058921053e+00 -4.119380882e+00 -4.135501574e+00 2.40 -4.030518678e+00 -4.127665642e+00 -4.147156201e+00 2.42 -3.995472062e+00 -4.133173850e+00 -4.157467978e+00 2.44 -3.954357668e+00 -4.136548576e+00 -4.167144599e+00 2.46 -3.907847884e+00 -4.138102500e+00 -4.176147772e+00 2.48 -3.856609266e+00 -4.138160189e+00 -4.183863412e+00 2.50 -3.801512429e+00 -4.136945511e+00 -4.189822822e+00 2.52 -3.743281706e+00 -4.133941314e+00 -4.193162118e+00 2.54 -3.682378476e+00 -4.128197186e+00 -4.192594288e+00 2.56 -3.619231941e+00 -4.118902402e+00 -4.187294979e+00 2.58 -3.554038663e+00 -4.105293400e+00 -4.176948742e+00 2.60 -3.487080754e+00 -4.086771829e+00 -4.161631655e+00 2.62 -3.418766624e+00 -4.062857132e+00 -4.141445601e+00 2.64 -3.349467186e+00 -4.033508078e+00 -4.116559352e+00 2.66 -3.279543329e+00 -3.999094175e+00 -4.087653547e+00 2.68 -3.209324164e+00 -3.959915061e+00 -4.055517031e+00 2.70 -3.139148134e+00 -3.916268757e+00 -4.020942894e+00 2.72 -3.069320054e+00 -3.868509334e+00 -3.984632644e+00 2.74 -3.000039590e+00 -3.816971874e+00 -3.947118691e+00 2.76 -2.931065850e+00 -3.761936129e+00 -3.908591991e+00 2.78 -2.861765203e+00 -3.703858143e+00 -3.868757213e+00 2.80 -2.791766443e+00 -3.643481990e+00 -3.827313469e+00 2.82 -2.720935108e+00 -3.581589126e+00 -3.783958099e+00 2.84 -2.649254000e+00 -3.518802341e+00 -3.738359210e+00 2.86 -2.576942542e+00 -3.455454706e+00 -3.690288657e+00 2.88 -2.504451066e+00 -3.391486233e+00 -3.639647561e+00 2.90 -2.432258918e+00 -3.326625532e+00 -3.586442333e+00 2.92 -2.360715667e+00 -3.260904954e+00 -3.530744048e+00 2.94 -2.289901049e+00 -3.194269936e+00 -3.472566023e+00 2.96 -2.219643366e+00 -3.126685009e+00 -3.411938061e+00 2.98 -2.149782601e+00 -3.058329479e+00 -3.349004156e+00 3.00 -2.080212012e+00 -2.989605372e+00 -3.284084242e+00 3.02 -2.010777899e+00 -2.921091737e+00 -3.217640484e+00 3.04 -1.941293713e+00 -2.853319805e+00 -3.150237768e+00 3.06 -1.871705633e+00 -2.786398015e+00 -3.082551290e+00 3.08 -1.802112542e+00 -2.720037041e+00 -3.015244282e+00 3.10 -1.732678268e+00 -2.653649225e+00 -2.948821076e+00 3.12 -1.663552916e+00 -2.586732588e+00 -2.883673775e+00 3.14 -1.594732031e+00 -2.518920841e+00 -2.819678495e+00 3.16 -1.526257540e+00 -2.449982601e+00 -2.756421901e+00 3.18 -1.458341108e+00 -2.379820476e+00 -2.693132928e+00 3.20 -1.391232123e+00 -2.308449227e+00 -2.628912164e+00 3.22 -1.325191543e+00 -2.235913547e+00 -2.563206322e+00 3.24 -1.260471973e+00 -2.162282898e+00 -2.495682340e+00 3.26 -1.197257646e+00 -2.087671401e+00 -2.426156121e+00 3.28 -1.135692006e+00 -2.012305611e+00 -2.354642097e+00 3.30 -1.075883795e+00 -1.936693424e+00 -2.281351558e+00 3.32 -1.017905906e+00 -1.861350515e+00 -2.206657906e+00 3.34 -9.617947273e-01 -1.786752789e+00 -2.131057788e+00 3.36 -9.075556887e-01 -1.713231117e+00 -2.055112049e+00 3.38 -8.551787635e-01 -1.640969182e+00 -1.979238448e+00 3.40 -8.046425253e-01 -1.570065669e+00 -1.903796291e+00 3.42 -7.559093991e-01 -1.500659545e+00 -1.829210646e+00 3.44 -7.089521724e-01 -1.432856589e+00 -1.755810892e+00 3.46 -6.637845042e-01 -1.366733283e+00 -1.683835877e+00 3.48 -6.204380220e-01 -1.302354369e+00 -1.613446516e+00 3.50 -5.789385235e-01 -1.239779490e+00 -1.544736339e+00 3.52 -5.393005319e-01 -1.179075967e+00 -1.477760404e+00 3.54 -5.015276961e-01 -1.120355269e+00 -1.412603599e+00 3.56 -4.656134061e-01 -1.063729441e+00 -1.349345068e+00 3.58 -4.315409500e-01 -1.009258946e+00 -1.288057594e+00 3.60 -3.992846480e-01 -9.569252473e-01 -1.228793082e+00 3.62 -3.688110620e-01 -9.066854549e-01 -1.171583269e+00 3.64 -3.400786138e-01 -8.584876930e-01 -1.116442076e+00 3.66 -3.130381524e-01 -8.123059030e-01 -1.063368372e+00 3.68 -2.876335576e-01 -7.681151479e-01 -1.012349587e+00 3.70 -2.638027288e-01 -7.258800781e-01 -9.633595660e-01 3.72 -2.414779484e-01 -6.855435861e-01 -9.163523271e-01 3.74 -2.205868816e-01 -6.470310744e-01 -8.712726328e-01 3.76 -2.010615328e-01 -6.102672589e-01 -8.280623618e-01 3.78 -1.828643675e-01 -5.751778604e-01 -7.866612718e-01 3.80 -1.659652055e-01 -5.416903738e-01 -7.470056402e-01 3.82 -1.503323555e-01 -5.097341302e-01 -7.090249071e-01 3.84 -1.359181896e-01 -4.792405389e-01 -6.726379813e-01 3.86 -1.226632632e-01 -4.501456719e-01 -6.377542846e-01 3.88 -1.105156846e-01 -4.224103103e-01 -6.043099159e-01 3.90 -9.923227962e-02 -3.960069749e-01 -5.722445943e-01 3.92 -8.776885126e-02 -3.709078264e-01 -5.414920062e-01 3.94 -7.538338084e-02 -3.470739128e-01 -5.120179869e-01 3.96 -6.182472036e-02 -3.243464317e-01 -4.837926101e-01 3.98 -4.717929746e-02 -3.025898187e-01 -4.567830739e-01 4.00 -3.174830534e-02 -2.817674253e-01 -4.309563190e-01 4.02 -1.595177360e-02 -2.618998166e-01 -4.062808217e-01 4.04 -2.553946200e-04 -2.430338723e-01 -3.827270765e-01 4.06 1.488395153e-02 -2.252208265e-01 -3.602665799e-01 4.08 2.905583113e-02 -2.085040175e-01 -3.388702899e-01 4.10 4.192083716e-02 -1.929118550e-01 -3.185072606e-01 4.12 5.322309027e-02 -1.784510594e-01 -2.991405772e-01 4.14 6.279566965e-02 -1.650921630e-01 -2.807078327e-01 4.16 7.055780202e-02 -1.527633890e-01 -2.631328473e-01 4.18 7.650859655e-02 -1.413731085e-01 -2.463350925e-01 4.20 8.071431115e-02 -1.308225030e-01 -2.302401672e-01 4.22 8.328365277e-02 -1.210377460e-01 -2.148224206e-01 4.24 8.436031587e-02 -1.119510969e-01 -2.000710603e-01 4.26 8.411542827e-02 -1.034928752e-01 -1.859730873e-01 4.28 8.274157951e-02 -9.559130882e-02 -1.725091323e-01 4.30 8.044069082e-02 -8.817043635e-02 -1.596433134e-01 4.32 7.740586715e-02 -8.093182122e-02 -1.473384248e-01 4.34 7.381304025e-02 -7.313367597e-02 -1.355608729e-01 4.36 6.981625160e-02 -6.429624517e-02 -1.242033023e-01 4.38 6.554626884e-02 -5.422760324e-02 -1.125206785e-01 4.40 6.111181198e-02 -4.293947987e-02 -9.980903748e-02 4.42 5.660502326e-02 -3.058579485e-02 -8.574560609e-02 4.44 5.210800710e-02 -1.741373926e-02 -7.029236865e-02 4.46 4.769960116e-02 -3.723998967e-03 -5.361381698e-02 4.48 4.346004169e-02 1.016021202e-02 -3.600943034e-02 4.50 3.945040623e-02 2.391579238e-02 -1.785913956e-02 4.52 3.570899577e-02 3.723750764e-02 4.202553500e-04 4.54 3.225353134e-02 4.984891364e-02 1.841040086e-02 4.56 2.909679669e-02 6.150918474e-02 3.571829395e-02 4.58 2.625479929e-02 7.201803413e-02 5.199425439e-02 4.60 2.374026532e-02 8.121698494e-02 6.694222567e-02 4.62 2.155748979e-02 8.899031548e-02 8.032634036e-02 4.64 1.969935425e-02 9.526429842e-02 9.197354981e-02 4.66 1.814601118e-02 1.000072444e-01 1.017724580e-01 4.68 1.686755207e-02 1.032273106e-01 1.096692789e-01 4.70 1.582536409e-02 1.049711673e-01 1.156626533e-01 4.72 1.496965115e-02 1.053173865e-01 1.197909274e-01 4.74 1.424144002e-02 1.043765378e-01 1.221300990e-01 4.76 1.358225536e-02 1.022853105e-01 1.227872489e-01 4.78 1.295569825e-02 9.921648143e-02 1.219153452e-01 4.80 1.233281524e-02 9.536063542e-02 1.197048784e-01 4.82 1.168735841e-02 9.088681934e-02 1.163559502e-01 4.84 1.099876354e-02 8.595831361e-02 1.120698581e-01 4.86 1.025504168e-02 8.073071623e-02 1.070441668e-01 4.88 9.454880860e-03 7.534640284e-02 1.014675674e-01 4.90 8.608701334e-03 6.993121243e-02 9.551642544e-02 4.92 7.738368840e-03 6.459203694e-02 8.935204664e-02 4.94 6.875575684e-03 5.941602880e-02 8.311871024e-02 4.96 6.047125354e-03 5.447051289e-02 7.694234296e-02 4.98 5.264268045e-03 4.980442212e-02 7.093067733e-02 5.00 4.538717710e-03 4.544974386e-02 6.517331323e-02 5.02 3.882117023e-03 4.141759451e-02 5.973382213e-02 5.04 3.304129336e-03 3.768724469e-02 5.462954866e-02 5.06 2.811298108e-03 3.424477362e-02 4.986736154e-02 5.08 2.406312364e-03 3.108532513e-02 4.545392776e-02 5.10 2.087830198e-03 2.820443265e-02 4.139465592e-02 5.12 1.850605017e-03 2.559779397e-02 3.769378547e-02 5.14 1.685946056e-03 2.326048694e-02 3.435324720e-02 5.16 1.581997498e-03 2.118629998e-02 3.137176261e-02 5.18 1.524556132e-03 1.936709911e-02 2.874401347e-02 5.20 1.497688217e-03 1.779196175e-02 2.645943517e-02 5.22 1.492007597e-03 1.644702984e-02 2.450203502e-02 5.24 1.505951399e-03 1.531627300e-02 2.285142140e-02 5.26 1.537244904e-03 1.437933167e-02 2.148006119e-02 5.28 1.582367736e-03 1.361083084e-02 2.035245238e-02 5.30 1.636573903e-03 1.298045369e-02 1.942524525e-02 5.32 1.694003884e-03 1.245334875e-02 1.864786590e-02 5.34 1.747982617e-03 1.199170583e-02 1.796494760e-02 5.36 1.791411854e-03 1.155654683e-02 1.731904491e-02 5.38 1.817329285e-03 1.111040646e-02 1.665471652e-02 5.40 1.819548373e-03 1.062024133e-02 1.592294202e-02 5.42 1.793355734e-03 1.006061721e-02 1.508596005e-02 5.44 1.736129703e-03 9.416262659e-03 1.412114122e-02 5.46 1.647830428e-03 8.684105551e-03 1.302407922e-02 5.48 1.531278386e-03 7.874223577e-03 1.181004178e-02 5.50 1.392146499e-03 7.009566362e-03 1.051356731e-02 5.52 1.238675678e-03 6.124457293e-03 9.186226507e-03 5.54 1.078992711e-03 5.251833924e-03 7.877489144e-03 5.56 9.177033058e-04 4.407101334e-03 6.610507505e-03 5.58 7.595378359e-04 3.606041358e-03 5.408985035e-03 5.60 6.093418269e-04 2.865094874e-03 4.297602931e-03 5.62 4.715349413e-04 2.199160932e-03 3.298722247e-03 5.64 3.497004795e-04 1.619885246e-03 2.429819134e-03 5.66 2.463114959e-04 1.134543171e-03 1.701811089e-03 5.68 1.626096860e-04 7.455467521e-04 1.118318752e-03 5.70 9.858112641e-05 4.502902900e-04 6.754349901e-04 5.72 5.305660917e-05 2.416359131e-04 3.624537544e-04 5.74 2.381912568e-05 1.082420523e-04 1.623630572e-04 5.76 7.795274754e-06 3.536179496e-05 5.304269029e-05 5.78 1.256240941e-06 5.691617890e-06 8.537426779e-06 5.80 5.057400579e-09 2.229872772e-08 3.344809158e-08 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00