# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = CrNi3 # 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 -3.980202059e+02 nan nan 0.92 -3.711402871e+02 nan nan 0.94 -3.464926724e+02 nan nan 0.96 -3.240703172e+02 nan nan 0.98 -3.036169272e+02 nan nan 1.00 -2.847846065e+02 nan nan 1.02 -2.674238786e+02 -3.530616048e+02 -3.859284214e+02 1.04 -2.514597482e+02 -3.322356824e+02 -3.631508692e+02 1.06 -2.366883204e+02 -3.129572702e+02 -3.422216973e+02 1.08 -2.228713006e+02 -2.951956894e+02 -3.227937154e+02 1.10 -2.098822191e+02 -2.787488744e+02 -3.046039503e+02 1.12 -1.976672425e+02 -2.633585455e+02 -2.875182964e+02 1.14 -1.862231421e+02 -2.488626057e+02 -2.714916967e+02 1.16 -1.755164741e+02 -2.351603260e+02 -2.565086763e+02 1.18 -1.655239529e+02 -2.222252871e+02 -2.425645170e+02 1.20 -1.561451979e+02 -2.100866292e+02 -2.296927762e+02 1.22 -1.472091460e+02 -1.987719748e+02 -2.178675472e+02 1.24 -1.385428622e+02 -1.882852434e+02 -2.068959968e+02 1.26 -1.300114915e+02 -1.785568884e+02 -1.965893778e+02 1.28 -1.215733696e+02 -1.694794253e+02 -1.867751594e+02 1.30 -1.132574313e+02 -1.608949550e+02 -1.773622855e+02 1.32 -1.050948529e+02 -1.526898863e+02 -1.683370974e+02 1.34 -9.710276000e+01 -1.447795259e+02 -1.596772671e+02 1.36 -8.931369823e+01 -1.370878344e+02 -1.513538568e+02 1.38 -8.175902027e+01 -1.295690207e+02 -1.433499197e+02 1.40 -7.445291064e+01 -1.222006859e+02 -1.356396724e+02 1.42 -6.738430412e+01 -1.149413370e+02 -1.281930278e+02 1.44 -6.055318874e+01 -1.077421809e+02 -1.209681512e+02 1.46 -5.396690333e+01 -1.005627836e+02 -1.138782193e+02 1.48 -4.763354009e+01 -9.337804469e+01 -1.068789800e+02 1.50 -4.155246589e+01 -8.618169201e+01 -9.996518783e+01 1.52 -3.572264325e+01 -7.899203210e+01 -9.313085627e+01 1.54 -3.015991439e+01 -7.184212097e+01 -8.637313335e+01 1.56 -2.488841099e+01 -6.477927139e+01 -7.970365035e+01 1.58 -1.993213427e+01 -5.786112344e+01 -7.314565794e+01 1.60 -1.530297772e+01 -5.114462299e+01 -6.672921784e+01 1.62 -1.098909111e+01 -4.467771770e+01 -6.046930829e+01 1.64 -7.398792807e+00 -3.851034531e+01 -5.437132029e+01 1.66 -4.819944608e+00 -3.270051317e+01 -4.844507473e+01 1.68 -3.122784994e+00 -2.728265531e+01 -4.270502902e+01 1.70 -2.080576412e+00 -2.225613281e+01 -3.716894820e+01 1.72 -1.507810116e+00 -1.761503042e+01 -3.185263551e+01 1.74 -1.258907612e+00 -1.335178099e+01 -2.677286724e+01 1.76 -1.227445801e+00 -9.480389581e+00 -2.196227017e+01 1.78 -1.334534800e+00 -6.459599936e+00 -1.745089728e+01 1.80 -1.520132745e+00 -4.360905824e+00 -1.325664995e+01 1.82 -1.741988834e+00 -2.944885510e+00 -9.403677688e+00 1.84 -1.973596007e+00 -2.030896570e+00 -6.358709487e+00 1.86 -2.198557599e+00 -1.482557244e+00 -4.239451209e+00 1.88 -2.408874109e+00 -1.197502775e+00 -2.805628450e+00 1.90 -2.605275792e+00 -1.098352608e+00 -1.872704248e+00 1.92 -2.790815808e+00 -1.127168926e+00 -1.302371730e+00 1.94 -2.966261228e+00 -1.243576270e+00 -9.927419477e-01 1.96 -3.129867395e+00 -1.418013551e+00 -8.692770353e-01 1.98 -3.279036665e+00 -1.626713936e+00 -8.758393422e-01 2.00 -3.413895182e+00 -1.852510239e+00 -9.719386168e-01 2.02 -3.536116931e+00 -2.083215087e+00 -1.129388039e+00 2.04 -3.647195182e+00 -2.311044049e+00 -1.329052329e+00 2.06 -3.747681115e+00 -2.531604091e+00 -1.557237859e+00 2.08 -3.837552770e+00 -2.742050474e+00 -1.801834273e+00 2.10 -3.916932082e+00 -2.940827396e+00 -2.050313047e+00 2.12 -3.986290986e+00 -3.128664560e+00 -2.293126982e+00 2.14 -4.046705498e+00 -3.305739095e+00 -2.525484507e+00 2.16 -4.098870821e+00 -3.471128478e+00 -2.747038659e+00 2.18 -4.142966511e+00 -3.623391737e+00 -2.957984608e+00 2.20 -4.178478074e+00 -3.759557916e+00 -3.157747297e+00 2.22 -4.204813792e+00 -3.877233967e+00 -3.344833981e+00 2.24 -4.221597425e+00 -3.976499790e+00 -3.518771877e+00 2.26 -4.227868137e+00 -4.058349457e+00 -3.677886854e+00 2.28 -4.223363686e+00 -4.124121900e+00 -3.820340836e+00 2.30 -4.208862936e+00 -4.175588049e+00 -3.944999569e+00 2.32 -4.185315257e+00 -4.215099943e+00 -4.051365753e+00 2.34 -4.153746174e+00 -4.244675963e+00 -4.139707414e+00 2.36 -4.115227468e+00 -4.265929222e+00 -4.211076266e+00 2.38 -4.070728915e+00 -4.280118766e+00 -4.267259509e+00 2.40 -4.020969018e+00 -4.287869677e+00 -4.310331531e+00 2.42 -3.966185088e+00 -4.289387785e+00 -4.342168003e+00 2.44 -3.906703031e+00 -4.284733583e+00 -4.364587609e+00 2.46 -3.843016338e+00 -4.274325843e+00 -4.379102572e+00 2.48 -3.775634401e+00 -4.259238284e+00 -4.386247649e+00 2.50 -3.705283464e+00 -4.240726646e+00 -4.386442362e+00 2.52 -3.632600645e+00 -4.219051377e+00 -4.379484108e+00 2.54 -3.558084787e+00 -4.193791579e+00 -4.364992699e+00 2.56 -3.482220097e+00 -4.164423620e+00 -4.343109912e+00 2.58 -3.405230972e+00 -4.130511411e+00 -4.314443651e+00 2.60 -3.327422442e+00 -4.091946102e+00 -4.279953487e+00 2.62 -3.249200697e+00 -4.048777007e+00 -4.240606089e+00 2.64 -3.170940636e+00 -4.001154583e+00 -4.197058473e+00 2.66 -3.092610284e+00 -3.949337811e+00 -4.150062594e+00 2.68 -3.013295716e+00 -3.893514270e+00 -4.100483686e+00 2.70 -2.932169150e+00 -3.833883756e+00 -4.049216330e+00 2.72 -2.848609569e+00 -3.770718808e+00 -3.997047593e+00 2.74 -2.762129935e+00 -3.704313358e+00 -3.944500146e+00 2.76 -2.672221389e+00 -3.634979188e+00 -3.891663984e+00 2.78 -2.578382691e+00 -3.563225946e+00 -3.838072484e+00 2.80 -2.480466506e+00 -3.489877505e+00 -3.783277361e+00 2.82 -2.378664200e+00 -3.415828075e+00 -3.726869977e+00 2.84 -2.273588758e+00 -3.341846239e+00 -3.668513503e+00 2.86 -2.166412750e+00 -3.268390345e+00 -3.608020112e+00 2.88 -2.058872116e+00 -3.195378057e+00 -3.545355230e+00 2.90 -1.952648645e+00 -3.122365590e+00 -3.480605130e+00 2.92 -1.849008157e+00 -3.049121842e+00 -3.413903187e+00 2.94 -1.748674655e+00 -2.974727212e+00 -3.345257913e+00 2.96 -1.651915273e+00 -2.898064270e+00 -3.274669111e+00 2.98 -1.558865900e+00 -2.818375623e+00 -3.202234755e+00 3.00 -1.469618646e+00 -2.735290010e+00 -3.128135135e+00 3.02 -1.384166814e+00 -2.648780762e+00 -3.052214180e+00 3.04 -1.302479749e+00 -2.559089426e+00 -2.973885743e+00 3.06 -1.224531168e+00 -2.466452072e+00 -2.892783000e+00 3.08 -1.150310873e+00 -2.370950325e+00 -2.808698533e+00 3.10 -1.079885791e+00 -2.272742320e+00 -2.721437174e+00 3.12 -1.013317575e+00 -2.172140355e+00 -2.630968198e+00 3.14 -9.505089598e-01 -2.069934021e+00 -2.537331778e+00 3.16 -8.913237864e-01 -1.967462307e+00 -2.440534218e+00 3.18 -8.356844966e-01 -1.865958676e+00 -2.340548299e+00 3.20 -7.835039808e-01 -1.766356489e+00 -2.237405877e+00 3.22 -7.347017936e-01 -1.669342198e+00 -2.131511987e+00 3.24 -6.891908974e-01 -1.575467892e+00 -2.024089987e+00 3.26 -6.468147077e-01 -1.485178495e+00 -1.916402995e+00 3.28 -6.073842092e-01 -1.398828340e+00 -1.809566563e+00 3.30 -5.707045497e-01 -1.316679855e+00 -1.704593694e+00 3.32 -5.365789294e-01 -1.238885238e+00 -1.602409315e+00 3.34 -5.048106663e-01 -1.165463003e+00 -1.503848570e+00 3.36 -4.752039274e-01 -1.096313009e+00 -1.409642849e+00 3.38 -4.475563329e-01 -1.031216160e+00 -1.320246526e+00 3.40 -4.216583806e-01 -9.698825698e-01 -1.235788672e+00 3.42 -3.973041484e-01 -9.121031255e-01 -1.156292099e+00 3.44 -3.743186562e-01 -8.576607036e-01 -1.081710045e+00 3.46 -3.525894527e-01 -8.063403018e-01 -1.011940378e+00 3.48 -3.320439433e-01 -7.579553384e-01 -9.468382728e-01 3.50 -3.126172808e-01 -7.123582735e-01 -8.862262682e-01 3.52 -2.942450284e-01 -6.694405162e-01 -8.299031479e-01 3.54 -2.768634919e-01 -6.291254410e-01 -7.776511697e-01 3.56 -2.604098889e-01 -5.913571779e-01 -7.292421743e-01 3.58 -2.448222173e-01 -5.560405286e-01 -6.844427892e-01 3.60 -2.300395368e-01 -5.229986270e-01 -6.430187630e-01 3.62 -2.160020158e-01 -4.920486897e-01 -6.047390259e-01 3.64 -2.026507735e-01 -4.630178708e-01 -5.693758797e-01 3.66 -1.899279899e-01 -4.357772128e-01 -5.367010544e-01 3.68 -1.777768900e-01 -4.102156473e-01 -5.064972868e-01 3.70 -1.661418693e-01 -3.862265735e-01 -4.785653201e-01 3.72 -1.549682135e-01 -3.637080037e-01 -4.527295280e-01 3.74 -1.442020898e-01 -3.425625776e-01 -4.288356104e-01 3.76 -1.338014679e-01 -3.226977246e-01 -4.067497672e-01 3.78 -1.237709347e-01 -3.040252832e-01 -3.863555716e-01 3.80 -1.141285089e-01 -2.864617250e-01 -3.675482437e-01 3.82 -1.048931452e-01 -2.699277517e-01 -3.502251616e-01 3.84 -9.608479441e-02 -2.543483069e-01 -3.342751235e-01 3.86 -8.772438944e-02 -2.396547127e-01 -3.195720739e-01 3.88 -7.983484480e-02 -2.258020377e-01 -3.060004244e-01 3.90 -7.242953199e-02 -2.127562868e-01 -2.934316519e-01 3.92 -6.548936972e-02 -2.004836408e-01 -2.817221059e-01 3.94 -5.898904162e-02 -1.889494877e-01 -2.707639335e-01 3.96 -5.290375301e-02 -1.781184374e-01 -2.604556678e-01 3.98 -4.720093262e-02 -1.679551904e-01 -2.506977492e-01 4.00 -4.178427057e-02 -1.584248241e-01 -2.413996441e-01 4.02 -3.657309608e-02 -1.494926788e-01 -2.324840576e-01 4.04 -3.151857244e-02 -1.411243834e-01 -2.238878406e-01 4.06 -2.659676737e-02 -1.332857988e-01 -2.155609764e-01 4.08 -2.180049418e-02 -1.259431318e-01 -2.074641242e-01 4.10 -1.713347383e-02 -1.190626902e-01 -1.995653393e-01 4.12 -1.260661220e-02 -1.126108964e-01 -1.918328636e-01 4.14 -8.234334224e-03 -1.065392939e-01 -1.842065403e-01 4.16 -4.032625562e-03 -1.007756132e-01 -1.766132912e-01 4.18 -1.744262688e-05 -9.524546151e-02 -1.689798655e-01 4.20 3.794307300e-03 -8.988216833e-02 -1.612444390e-01 4.22 7.378508103e-03 -8.466004905e-02 -1.534062375e-01 4.24 1.070778436e-02 -7.956757553e-02 -1.454851794e-01 4.26 1.375362119e-02 -7.459083811e-02 -1.375012261e-01 4.28 1.650161838e-02 -6.971704785e-02 -1.294742553e-01 4.30 1.894693747e-02 -6.493506864e-02 -1.214243897e-01 4.32 2.107843014e-02 -6.023452979e-02 -1.133716903e-01 4.34 2.287843807e-02 -5.560695563e-02 -1.053363319e-01 4.36 2.432424338e-02 -5.102616144e-02 -9.733858686e-02 4.38 2.539161937e-02 -4.642759813e-02 -8.939879625e-02 4.40 2.605971923e-02 -4.176172078e-02 -8.153755790e-02 4.42 2.631760269e-02 -3.699702461e-02 -7.377543649e-02 4.44 2.617109980e-02 -3.211818191e-02 -6.613548134e-02 4.46 2.564809318e-02 -2.712428922e-02 -5.859395573e-02 4.48 2.480148532e-02 -2.202739385e-02 -5.109385842e-02 4.50 2.370906125e-02 -1.685172500e-02 -4.360798253e-02 4.52 2.246423705e-02 -1.163271344e-02 -3.613600566e-02 4.54 2.113841828e-02 -6.416566612e-03 -2.869933451e-02 4.56 1.979363668e-02 -1.256693232e-03 -2.133474791e-02 4.58 1.849094961e-02 3.786986917e-03 -1.409000602e-02 4.60 1.728382579e-02 8.648841904e-03 -7.020491195e-03 4.62 1.621336121e-02 1.325977132e-02 -1.860128428e-04 4.64 1.530555426e-02 1.755006253e-02 6.351797840e-03 4.66 1.456991001e-02 2.145404312e-02 1.253161209e-02 4.68 1.399831217e-02 2.491319584e-02 1.829381198e-02 4.70 1.356622894e-02 2.788116736e-02 2.358215358e-02 4.72 1.323590351e-02 3.032732224e-02 2.834408384e-02 4.74 1.295871781e-02 3.224004062e-02 3.253200045e-02 4.76 1.268479679e-02 3.362754807e-02 3.610408770e-02 4.78 1.238469682e-02 3.453361525e-02 3.904962036e-02 4.80 1.203478948e-02 3.502285495e-02 4.138842921e-02 4.82 1.161273881e-02 3.514234053e-02 4.314663728e-02 4.84 1.110090126e-02 3.494050148e-02 4.435478687e-02 4.86 1.048974332e-02 3.446741109e-02 4.504771454e-02 4.88 9.780669181e-03 3.377098462e-02 4.526390961e-02 4.90 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1.884817255e-02 5.28 1.582367736e-03 1.222295231e-02 1.829967510e-02 5.30 1.636573903e-03 1.192906458e-02 1.786869970e-02 5.32 1.694003884e-03 1.168798984e-02 1.751428121e-02 5.34 1.747982617e-03 1.146784352e-02 1.718927395e-02 5.36 1.791411854e-03 1.123463560e-02 1.684321869e-02 5.38 1.817329285e-03 1.095500569e-02 1.642647046e-02 5.40 1.819548373e-03 1.059929631e-02 1.589483166e-02 5.42 1.793355734e-03 1.014484680e-02 1.521452069e-02 5.44 1.736129703e-03 9.578899162e-03 1.436655141e-02 5.46 1.647830428e-03 8.900803694e-03 1.335006023e-02 5.48 1.531278386e-03 8.123258520e-03 1.218417818e-02 5.50 1.392146499e-03 7.272155354e-03 1.090780644e-02 5.52 1.238675678e-03 6.385200520e-03 9.577552335e-03 5.54 1.078992711e-03 5.498769087e-03 8.248013857e-03 5.56 9.177033058e-04 4.631209881e-03 6.946739112e-03 5.58 7.595378359e-04 3.801256920e-03 5.701846156e-03 5.60 6.093418269e-04 3.028208687e-03 4.542293771e-03 5.62 4.715349413e-04 2.329565565e-03 3.494339496e-03 5.64 3.497004795e-04 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