# 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 = Al # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan -1.239365648e+02 nan 0.76 nan nan nan nan nan nan nan nan -1.135817291e+02 nan 0.78 nan nan nan nan nan nan nan nan -1.042578225e+02 nan 0.80 nan nan nan nan nan -8.314007393e+01 nan nan -9.575568124e+01 nan 0.82 nan nan nan nan nan -7.701429626e+01 nan nan -8.789019826e+01 nan 0.84 nan nan nan nan nan -7.117558473e+01 nan nan -8.070934183e+01 nan 0.86 nan nan nan nan nan -6.559865164e+01 nan nan -7.432664102e+01 nan 0.88 nan nan nan nan nan -6.033816641e+01 nan nan -6.867202063e+01 nan 0.90 nan -8.933873850e+01 nan -1.304739163e+02 -1.305639909e+02 -5.556742532e+01 nan nan -6.365403827e+01 -8.870376297e+01 0.92 nan -8.296516072e+01 nan -1.214902808e+02 -1.214851963e+02 -5.121780522e+01 -8.402237857e+01 nan -5.923458202e+01 -8.224700446e+01 0.94 nan -7.711836643e+01 nan -1.133082121e+02 -1.132244173e+02 -4.706971769e+01 -7.791152567e+01 nan -5.532471364e+01 -7.630331903e+01 0.96 nan -7.173278980e+01 nan -1.058665258e+02 -1.057610785e+02 -4.305242358e+01 -7.227217024e+01 nan -5.180507435e+01 -7.083668800e+01 0.98 nan -6.674703811e+01 nan -9.899677977e+01 -9.891320296e+01 -3.924684050e+01 -6.705085140e+01 nan -4.857136109e+01 -6.597284352e+01 1.00 nan -6.215929468e+01 nan -9.260551789e+01 -9.255728995e+01 -3.574996573e+01 -6.227335345e+01 nan -4.553460742e+01 -6.167403804e+01 1.02 -8.652493791e+01 -5.791729371e+01 -7.883005911e+01 -8.671019603e+01 -8.668977228e+01 -3.258723777e+01 -5.799022863e+01 -8.113413105e+01 -4.262036251e+01 -5.789989629e+01 1.04 -8.120198910e+01 -5.395391822e+01 -7.362285063e+01 -8.125618524e+01 -8.126118615e+01 -2.973832066e+01 -5.421646035e+01 -7.597823442e+01 -3.976921734e+01 -5.461478996e+01 1.06 -7.618625319e+01 -5.024501461e+01 -6.872387479e+01 -7.611940507e+01 -7.615470580e+01 -2.720551224e+01 -5.097017721e+01 -7.104232707e+01 -3.695837781e+01 -5.171284471e+01 1.08 -7.132209950e+01 -4.683757158e+01 -6.416770904e+01 -7.123192334e+01 -7.131048598e+01 -2.500373777e+01 -4.822004355e+01 -6.628930303e+01 -3.419273225e+01 -4.898408533e+01 1.10 -6.662936011e+01 -4.375280057e+01 -5.993458268e+01 -6.662158947e+01 -6.675003012e+01 -2.308503943e+01 -4.580254770e+01 -6.180252558e+01 -3.147773118e+01 -4.628074930e+01 1.12 -6.219421569e+01 -4.098934422e+01 -5.597035729e+01 -6.232137892e+01 -6.248618449e+01 -2.137021235e+01 -4.351695117e+01 -5.769430687e+01 -2.884395013e+01 -4.358756969e+01 1.14 -5.811086721e+01 -3.853577276e+01 -5.226030534e+01 -5.833079106e+01 -5.850044493e+01 -1.982701647e+01 -4.125571216e+01 -5.400595073e+01 -2.634253340e+01 -4.094726017e+01 1.16 -5.444013402e+01 -3.636243844e+01 -4.882465228e+01 -5.465732618e+01 -5.479041653e+01 -1.846455691e+01 -3.901044698e+01 -5.070761468e+01 -2.400795544e+01 -3.836681768e+01 1.18 -5.115671923e+01 -3.443382222e+01 -4.573972793e+01 -5.130043190e+01 -5.136005674e+01 -1.729332064e+01 -3.681127602e+01 -4.775136535e+01 -2.185688772e+01 -3.580064591e+01 1.20 -4.824407382e+01 -3.266730642e+01 -4.308292607e+01 -4.826019859e+01 -4.821911454e+01 -1.632257153e+01 -3.466033636e+01 -4.512214428e+01 -1.989559987e+01 -3.322551783e+01 1.22 -4.565617291e+01 -3.097218953e+01 -4.082262106e+01 -4.552646853e+01 -4.538407230e+01 -1.552498985e+01 -3.252543845e+01 -4.278024206e+01 -1.811354100e+01 -3.066800187e+01 1.24 -4.333370970e+01 -2.930430417e+01 -3.884914917e+01 -4.307939252e+01 -4.285943569e+01 -1.482224896e+01 -3.037694103e+01 -4.065708080e+01 -1.650425831e+01 -2.819416462e+01 1.26 -4.120210074e+01 -2.765482452e+01 -3.708817466e+01 -4.087718018e+01 -4.061345643e+01 -1.415041220e+01 -2.822058278e+01 -3.867869477e+01 -1.507191592e+01 -2.584669676e+01 1.28 -3.919594702e+01 -2.603341100e+01 -3.550440609e+01 -3.886111558e+01 -3.858666918e+01 -1.349641140e+01 -2.607969090e+01 -3.680039302e+01 -1.382085361e+01 -2.363056743e+01 1.30 -3.728491714e+01 -2.443843577e+01 -3.405933295e+01 -3.698387744e+01 -3.673071379e+01 -1.287769897e+01 -2.398062434e+01 -3.499276527e+01 -1.275339738e+01 -2.155484094e+01 1.32 -3.544117486e+01 -2.286865423e+01 -3.268681571e+01 -3.521005182e+01 -3.501083742e+01 -1.230829113e+01 -2.194003109e+01 -3.322873395e+01 -1.185844472e+01 -1.962243754e+01 1.34 -3.365464585e+01 -2.133525564e+01 -3.131838708e+01 -3.352968245e+01 -3.341380396e+01 -1.177241404e+01 -1.996288759e+01 -3.150696681e+01 -1.110902120e+01 -1.784824451e+01 1.36 -3.195264975e+01 -1.984631626e+01 -2.992390647e+01 -3.194872559e+01 -3.192909986e+01 -1.124955645e+01 -1.805140136e+01 -2.984673540e+01 -1.047510520e+01 -1.627440297e+01 1.38 -3.033296504e+01 -1.839736143e+01 -2.849744006e+01 -3.044546792e+01 -3.051934606e+01 -1.072919052e+01 -1.623907670e+01 -2.824507320e+01 -9.930059859e+00 -1.493443039e+01 1.40 -2.874850101e+01 -1.698020476e+01 -2.703303774e+01 -2.896920368e+01 -2.912767234e+01 -1.020811714e+01 -1.457884816e+01 -2.668522167e+01 -9.451156295e+00 -1.382088650e+01 1.42 -2.718409988e+01 -1.560307992e+01 -2.551488094e+01 -2.749361269e+01 -2.772248422e+01 -9.685050179e+00 -1.311021020e+01 -2.516546395e+01 -9.020398874e+00 -1.291019651e+01 1.44 -2.566782258e+01 -1.428731237e+01 -2.393229954e+01 -2.602247824e+01 -2.630021512e+01 -9.153875741e+00 -1.185179882e+01 -2.369579782e+01 -8.620239753e+00 -1.216376749e+01 1.46 -2.422686836e+01 -1.303516181e+01 -2.227551478e+01 -2.456568064e+01 -2.486413864e+01 -8.596046717e+00 -1.079933984e+01 -2.227881304e+01 -8.229216780e+00 -1.153098850e+01 1.48 -2.286191208e+01 -1.182579277e+01 -2.055936638e+01 -2.312869128e+01 -2.341489833e+01 -7.994149479e+00 -9.930994124e+00 -2.090352957e+01 -7.830979134e+00 -1.097239170e+01 1.50 -2.154538508e+01 -1.063568903e+01 -1.883568659e+01 -2.171560333e+01 -2.196022374e+01 -7.352206223e+00 -9.227315544e+00 -1.955006560e+01 -7.420074816e+00 -1.046967914e+01 1.52 -2.024429308e+01 -9.467563783e+00 -1.716377769e+01 -2.032735640e+01 -2.050927136e+01 -6.690145798e+00 -8.666471784e+00 -1.820950650e+01 -6.996617751e+00 -1.001725290e+01 1.54 -1.894132446e+01 -8.345689931e+00 -1.557718667e+01 -1.896377484e+01 -1.907228155e+01 -6.026977294e+00 -8.218108165e+00 -1.688679144e+01 -6.560730201e+00 -9.605288718e+00 1.56 -1.763925686e+01 -7.296038404e+00 -1.408322358e+01 -1.762352966e+01 -1.765829295e+01 -5.375779815e+00 -7.849231662e+00 -1.559116095e+01 -6.111548162e+00 -9.217703708e+00 1.58 -1.634830676e+01 -6.333724726e+00 -1.267893069e+01 -1.630638625e+01 -1.627530377e+01 -4.743120562e+00 -7.527886320e+00 -1.432732688e+01 -5.651376910e+00 -8.837037617e+00 1.60 -1.508199932e+01 -5.461119628e+00 -1.136100086e+01 -1.501793173e+01 -1.493181254e+01 -4.127811577e+00 -7.228406072e+00 -1.310033128e+01 -5.184598633e+00 -8.452497291e+00 1.62 -1.385410874e+01 -4.674235802e+00 -1.012783444e+01 -1.376441797e+01 -1.363200275e+01 -3.522062342e+00 -6.936938073e+00 -1.191378973e+01 -4.716992245e+00 -8.056932014e+00 1.64 -1.266872150e+01 -3.969260559e+00 -8.992982304e+00 -1.255291355e+01 -1.238551774e+01 -2.922899566e+00 -6.649738988e+00 -1.077596057e+01 -4.254789222e+00 -7.642718911e+00 1.66 -1.152822405e+01 -3.347378897e+00 -7.972037435e+00 -1.139423304e+01 -1.120859725e+01 -2.329899007e+00 -6.365488988e+00 -9.699375443e+00 -3.803817584e+00 -7.206610793e+00 1.68 -1.043510055e+01 -2.817065198e+00 -7.068495858e+00 -1.029638939e+01 -1.011212307e+01 -1.742743301e+00 -6.079967773e+00 -8.695030870e+00 -3.364366151e+00 -6.748102889e+00 1.70 -9.397363514e+00 -2.385231092e+00 -6.279834917e+00 -9.264791062e+00 -9.098463560e+00 -1.164551307e+00 -5.786717594e+00 -7.770678015e+00 -2.933081124e+00 -6.272998031e+00 1.72 -8.426459921e+00 -2.047480324e+00 -5.600047824e+00 -8.303646100e+00 -8.164388351e+00 -5.984796899e-01 -5.479371469e+00 -6.926830535e+00 -2.507073216e+00 -5.790676815e+00 1.74 -7.534850575e+00 -1.790443050e+00 -5.019674135e+00 -7.419290036e+00 -7.308415959e+00 -6.468632401e-02 -5.154125348e+00 -6.165559690e+00 -2.087738718e+00 -5.313943851e+00 1.76 -6.731485156e+00 -1.596259031e+00 -4.526769146e+00 -6.619064549e+00 -6.532462555e+00 3.920398802e-01 -4.811025597e+00 -5.480978889e+00 -1.681607672e+00 -4.853774088e+00 1.78 -6.007792675e+00 -1.448537106e+00 -4.103283561e+00 -5.899545734e+00 -5.833023841e+00 7.757142281e-01 -4.452495648e+00 -4.865036129e+00 -1.294152961e+00 -4.410110816e+00 1.80 -5.352174798e+00 -1.337536225e+00 -3.732210117e+00 -5.255596696e+00 -5.207859326e+00 1.091253411e+00 -4.083541909e+00 -4.312088996e+00 -9.348739953e-01 -3.980306957e+00 1.82 -4.754624741e+00 -1.259385867e+00 -3.399754215e+00 -4.681607960e+00 -4.653761252e+00 1.341551710e+00 -3.708802029e+00 -3.816566050e+00 -6.476035966e-01 -3.560966461e+00 1.84 -4.208947470e+00 -1.213083506e+00 -3.098690984e+00 -4.170429983e+00 -4.163608123e+00 1.528510457e+00 -3.332066280e+00 -3.374320637e+00 -4.287053632e-01 -3.151074849e+00 1.86 -3.715815850e+00 -1.197963147e+00 -2.833324855e+00 -3.717148749e+00 -3.731393129e+00 1.653781841e+00 -2.956246146e+00 -2.984705883e+00 -2.668064073e-01 -2.754570022e+00 1.88 -3.277974894e+00 -1.210716300e+00 -2.605818635e+00 -3.317064616e+00 -3.350754445e+00 1.724046227e+00 -2.581665409e+00 -2.647919085e+00 -1.524764786e-01 -2.376904301e+00 1.90 -2.895515127e+00 -1.246202069e+00 -2.411930245e+00 -2.965072130e+00 -3.015084521e+00 1.747707653e+00 -2.208215329e+00 -2.364993690e+00 -7.850655545e-02 -2.021144703e+00 1.92 -2.569039031e+00 -1.298441720e+00 -2.243948772e+00 -2.659258023e+00 -2.721293801e+00 1.732091182e+00 -1.838020089e+00 -2.134910015e+00 -4.011388015e-02 -1.686606803e+00 1.94 -2.297192610e+00 -1.358671747e+00 -2.093486340e+00 -2.398210711e+00 -2.467519448e+00 1.682711857e+00 -1.476290232e+00 -1.950536559e+00 -3.277542999e-02 -1.368033466e+00 1.96 -2.076183349e+00 -1.416977977e+00 -1.956435540e+00 -2.178906377e+00 -2.250762270e+00 1.603564856e+00 -1.131172553e+00 -1.801401921e+00 -5.156724545e-02 -1.060508775e+00 1.98 -1.901610495e+00 -1.464473089e+00 -1.835202534e+00 -1.997199018e+00 -2.067211723e+00 1.496926696e+00 -8.145958186e-01 -1.675880499e+00 -9.179183884e-02 -7.693338732e-01 2.00 -1.764070550e+00 -1.496001536e+00 -1.732918641e+00 -1.844896771e+00 -1.909814297e+00 1.365310887e+00 -5.821915328e-01 -1.561859227e+00 -1.486670852e-01 -5.278326312e-01 2.02 -1.650049879e+00 -1.521061525e+00 -1.652969159e+00 -1.711792112e+00 -1.770283281e+00 1.211914960e+00 -4.386879683e-01 -1.450728778e+00 -2.178156196e-01 -3.363890074e-01 2.04 -1.543786015e+00 -1.554025910e+00 -1.595827216e+00 -1.586974890e+00 -1.639578655e+00 1.041947787e+00 -3.709823874e-01 -1.340287838e+00 -2.958017926e-01 -1.905693925e-01 2.06 -1.434374878e+00 -1.595069925e+00 -1.557405859e+00 -1.463925216e+00 -1.511897268e+00 8.607255906e-01 -3.653112188e-01 -1.232100845e+00 -3.800124322e-01 -8.689815030e-02 2.08 -1.318032738e+00 -1.645625710e+00 -1.531098123e+00 -1.340917390e+00 -1.385125417e+00 6.721607390e-01 -4.078674924e-01 -1.130688539e+00 -4.692874440e-01 -2.331618519e-02 2.10 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