# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Kushnerov-O-I-Ryabtsev-S-I-Bashev-V-F--Co-Cr-Fe-Ni-Mn-Al # implementation = 2025--Kushnerov-O-I--Co-Cr-Fe-Ni-Mn-Al--LAMMPS--ipr1 # composition = CoNi3 # 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 2025-07-01 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 2.315864268e+02 nan nan 0.98 2.112194797e+02 nan nan 1.00 1.928161226e+02 nan nan 1.02 1.759648015e+02 nan nan 1.04 1.607435621e+02 nan nan 1.06 1.467399049e+02 nan nan 1.08 1.339284401e+02 2.013472969e+02 nan 1.10 1.223407611e+02 1.853173843e+02 2.107803467e+02 1.12 1.115638336e+02 1.703290701e+02 1.940901911e+02 1.14 1.019001373e+02 1.564898394e+02 1.790576322e+02 1.16 9.288562852e+01 1.439327579e+02 1.648949600e+02 1.18 8.472418031e+01 1.323068223e+02 1.519437001e+02 1.20 7.708961388e+01 1.219476375e+02 1.400938203e+02 1.22 7.029544664e+01 1.120648378e+02 1.293301895e+02 1.24 6.386268343e+01 1.028768679e+02 1.191467234e+02 1.26 5.816551783e+01 9.456657183e+01 1.098310526e+02 1.28 5.274413689e+01 8.685957709e+01 1.011781257e+02 1.30 4.792829731e+01 7.975373318e+01 9.309110963e+01 1.32 4.337877126e+01 7.307752232e+01 8.575816904e+01 1.34 3.916579600e+01 6.715381986e+01 7.880960054e+01 1.36 3.540885871e+01 6.144057929e+01 7.246327928e+01 1.38 3.193170940e+01 5.618648466e+01 6.667981865e+01 1.40 2.865833745e+01 5.131519866e+01 6.115711612e+01 1.42 2.573586635e+01 4.681647689e+01 5.612763073e+01 1.44 2.309539220e+01 4.288953483e+01 5.138997430e+01 1.46 2.056673372e+01 3.919388266e+01 4.724042367e+01 1.48 1.822931844e+01 3.560473001e+01 4.315451480e+01 1.50 1.608714952e+01 3.228967447e+01 3.947045904e+01 1.52 1.424757300e+01 2.931004893e+01 3.595820417e+01 1.54 1.247731964e+01 2.663298724e+01 3.286679446e+01 1.56 1.081548450e+01 2.399569460e+01 2.983946790e+01 1.58 9.315977800e+00 2.158850076e+01 2.707890899e+01 1.60 7.923694991e+00 1.933771626e+01 2.448077992e+01 1.62 6.790742224e+00 1.726027304e+01 2.207616540e+01 1.64 5.615046837e+00 1.534324099e+01 2.001056335e+01 1.66 4.542618259e+00 1.365393865e+01 1.793559964e+01 1.68 3.565281747e+00 1.209399346e+01 1.601646092e+01 1.70 2.675521569e+00 1.057560519e+01 1.424186766e+01 1.72 1.950914521e+00 9.176729819e+00 1.260140338e+01 1.74 1.268649329e+00 7.968242552e+00 1.108544186e+01 1.76 6.096954239e-01 6.775213485e+00 9.926523736e+00 1.78 -7.280047702e-03 5.678041234e+00 8.610962602e+00 1.80 -5.649044043e-01 4.669730027e+00 7.397239294e+00 1.82 -1.039511906e+00 3.850192571e+00 6.363218434e+00 1.84 -1.494747469e+00 2.991095858e+00 5.324265503e+00 1.86 -1.860516202e+00 2.363063408e+00 4.367611352e+00 1.88 -2.167294094e+00 1.628004637e+00 3.487410799e+00 1.90 -2.482231480e+00 9.558400725e-01 2.763706737e+00 1.92 -2.782510008e+00 3.419731046e-01 2.013160446e+00 1.94 -3.048634091e+00 -1.770722085e-01 1.324571626e+00 1.96 -3.283379691e+00 -6.902902544e-01 6.935443535e-01 1.98 -3.489310444e+00 -1.156801664e+00 1.159941660e-01 2.00 -3.668794263e+00 -1.580036565e+00 -3.290214196e-01 2.02 -3.824018568e+00 -1.963179487e+00 -8.175702921e-01 2.04 -3.957004252e+00 -2.309187742e+00 -1.262690492e+00 2.06 -4.008747909e+00 -2.620808322e+00 -1.667482396e+00 2.08 -4.087204022e+00 -2.900593438e+00 -2.034830812e+00 2.10 -4.155263661e+00 -3.079155773e+00 -2.283084012e+00 2.12 -4.212201716e+00 -3.268726368e+00 -2.549344520e+00 2.14 -4.266452513e+00 -3.474829538e+00 -2.829025949e+00 2.16 -4.307177137e+00 -3.656983231e+00 -3.080217689e+00 2.18 -4.335582016e+00 -3.817009163e+00 -3.304994969e+00 2.20 -4.352781501e+00 -3.956601118e+00 -3.505290649e+00 2.22 -4.359804746e+00 -4.077334055e+00 -3.682905228e+00 2.24 -4.316796989e+00 -4.099062407e+00 -3.819113568e+00 2.26 -4.309267919e+00 -4.192412875e+00 -3.957794710e+00 2.28 -4.293976847e+00 -4.270551157e+00 -4.078379691e+00 2.30 -4.271687264e+00 -4.334687745e+00 -4.182233673e+00 2.32 -4.202755443e+00 -4.385948217e+00 -4.270628785e+00 2.34 -4.108075992e+00 -4.425379133e+00 -4.344750483e+00 2.36 -4.075972805e+00 -4.453953510e+00 -4.405703456e+00 2.38 -4.038867204e+00 -4.472575904e+00 -4.454517107e+00 2.40 -3.997303214e+00 -4.482087126e+00 -4.332069573e+00 2.42 -3.951782000e+00 -4.483268617e+00 -4.370536488e+00 2.44 -3.902765006e+00 -4.391202245e+00 -4.398779937e+00 2.46 -3.850676852e+00 -4.383660424e+00 -4.417628565e+00 2.48 -3.795908032e+00 -4.369423689e+00 -4.427854267e+00 2.50 -3.738817408e+00 -4.349100290e+00 -4.430175956e+00 2.52 -3.679734525e+00 -4.242345064e+00 -4.425263094e+00 2.54 -3.618961765e+00 -4.216857314e+00 -4.413738971e+00 2.56 -3.556776336e+00 -4.186505484e+00 -4.396183762e+00 2.58 -3.493432127e+00 -4.151764127e+00 -4.345335800e+00 2.60 -3.429161422e+00 -4.113073499e+00 -4.319092767e+00 2.62 -3.364176497e+00 -4.070841866e+00 -4.288212952e+00 2.64 -3.298671098e+00 -4.025447663e+00 -4.253138091e+00 2.66 -3.232821821e+00 -3.977241504e+00 -4.214278814e+00 2.68 -3.166789379e+00 -3.926548056e+00 -4.172016698e+00 2.70 -3.079948570e+00 -3.873667794e+00 -4.126706168e+00 2.72 -3.015253917e+00 -3.818878631e+00 -4.078676293e+00 2.74 -2.950695867e+00 -3.741814012e+00 -4.028232445e+00 2.76 -2.845483985e+00 -3.685213911e+00 -3.975657863e+00 2.78 -2.784007814e+00 -3.627341829e+00 -3.921215104e+00 2.80 -2.722825181e+00 -3.568404293e+00 -3.865147411e+00 2.82 -2.640501030e+00 -3.508591673e+00 -3.722692292e+00 2.84 -2.581436537e+00 -3.448079278e+00 -3.669049183e+00 2.86 -2.522838592e+00 -3.387028381e+00 -3.614112367e+00 2.88 -2.464777274e+00 -3.325587181e+00 -3.558076964e+00 2.90 -2.407315149e+00 -3.263891689e+00 -3.501123375e+00 2.92 -2.350507844e+00 -3.202066575e+00 -3.443418255e+00 2.94 -2.294404580e+00 -3.140225939e+00 -3.385115412e+00 2.96 -2.239048677e+00 -3.078474048e+00 -3.326356658e+00 2.98 -2.184478012e+00 -3.016906016e+00 -3.267272601e+00 3.00 -2.130725451e+00 -2.955608439e+00 -3.207983390e+00 3.02 -2.077819250e+00 -2.894659994e+00 -3.148599407e+00 3.04 -2.025783428e+00 -2.834131993e+00 -3.089221923e+00 3.06 -1.974638110e+00 -2.774088904e+00 -3.029943704e+00 3.08 -1.924399851e+00 -2.714588836e+00 -2.970849586e+00 3.10 -1.875081929e+00 -2.655683994e+00 -2.912017010e+00 3.12 -1.826694629e+00 -2.597421103e+00 -2.853516521e+00 3.14 -1.779245493e+00 -2.539841803e+00 -2.795412242e+00 3.16 -1.711897348e+00 -2.455199007e+00 -2.696077879e+00 3.18 -1.667441043e+00 -2.400564680e+00 -2.641142171e+00 3.20 -1.623873161e+00 -2.346634305e+00 -2.586644291e+00 3.22 -1.581195549e+00 -2.293436715e+00 -2.532632887e+00 3.24 -1.539408189e+00 -2.240997074e+00 -2.479151807e+00 3.26 -1.498509368e+00 -2.189337144e+00 -2.426240425e+00 3.28 -1.458495834e+00 -2.138475545e+00 -2.373933960e+00 3.30 -1.419362943e+00 -2.004964653e+00 -2.322263760e+00 3.32 -1.381104798e+00 -1.959980862e+00 -2.271257582e+00 3.34 -1.343714374e+00 -1.915620442e+00 -2.220939843e+00 3.36 -1.307183632e+00 -1.871902431e+00 -2.171331863e+00 3.38 -1.229470656e+00 -1.828843231e+00 -2.122452087e+00 3.40 -1.196710404e+00 -1.786456811e+00 -2.074316299e+00 3.42 -1.164678266e+00 -1.744754887e+00 -2.026937815e+00 3.44 -1.133368166e+00 -1.703747090e+00 -1.980327668e+00 3.46 -1.102773235e+00 -1.663441129e+00 -1.934494783e+00 3.48 -1.072885899e+00 -1.623842935e+00 -1.889446135e+00 3.50 -1.022844807e+00 -1.584956808e+00 -1.845186902e+00 3.52 -9.953490092e-01 -1.546785541e+00 -1.801720605e+00 3.54 -9.684866655e-01 -1.509330544e+00 -1.759049240e+00 3.56 -9.422503692e-01 -1.472591958e+00 -1.717173404e+00 3.58 -9.166322328e-01 -1.436568761e+00 -1.676092404e+00 3.60 -8.916239451e-01 -1.401258868e+00 -1.635804372e+00 3.62 -8.672168245e-01 -1.366659222e+00 -1.596306361e+00 3.64 -8.365836160e-01 -1.332765880e+00 -1.472485671e+00 3.66 -8.136686178e-01 -1.299574098e+00 -1.438472093e+00 3.68 -7.913122930e-01 -1.267078398e+00 -1.405054538e+00 3.70 -7.695056032e-01 -1.235272647e+00 -1.372234797e+00 3.72 -7.482393169e-01 -1.204150115e+00 -1.340013626e+00 3.74 -7.275040431e-01 -1.173703540e+00 -1.308390831e+00 3.76 -7.072902627e-01 -1.143925182e+00 -1.277365343e+00 3.78 -6.875883565e-01 -1.114806875e+00 -1.246935289e+00 3.80 -6.683886317e-01 -1.086340078e+00 -1.217098061e+00 3.82 -6.496813459e-01 -1.058515920e+00 -1.187850380e+00 3.84 -6.314567289e-01 -1.031325239e+00 -1.159188350e+00 3.86 -6.137050025e-01 -9.621197666e-01 -1.131107521e+00 3.88 -5.964163997e-01 -9.380200750e-01 -1.103602932e+00 3.90 -5.795811802e-01 -9.144448430e-01 -1.076669167e+00 3.92 -5.631896465e-01 -8.913875584e-01 -1.050300394e+00 3.94 -5.472321571e-01 -8.688414425e-01 -1.024490410e+00 3.96 -5.316991394e-01 -8.467994818e-01 -9.992326784e-01 3.98 -5.165811001e-01 -8.252544581e-01 -9.745203678e-01 4.00 -5.018686362e-01 -8.041989766e-01 -9.503463838e-01 4.02 -4.875524435e-01 -7.836254917e-01 -9.267034013e-01 4.04 -4.736233247e-01 -7.635263306e-01 -9.035838944e-01 4.06 -4.600721965e-01 -7.438937162e-01 -8.809801632e-01 4.08 -4.468900962e-01 -7.247197869e-01 -8.588843594e-01 4.10 -4.340681868e-01 -7.059966164e-01 -8.372885103e-01 4.12 -4.215977623e-01 -6.877162306e-01 -8.161845398e-01 4.14 -4.094702514e-01 -6.698706240e-01 -7.955642896e-01 4.16 -3.976772213e-01 -6.524517749e-01 -7.754195373e-01 4.18 -3.862103807e-01 -6.354516586e-01 -7.557420144e-01 4.20 -3.750615822e-01 -6.188622604e-01 -7.365234215e-01 4.22 -3.642228243e-01 -6.026755871e-01 -7.177554440e-01 4.24 -3.536862528e-01 -5.868836776e-01 -6.994297651e-01 4.26 -3.434441622e-01 -5.714786123e-01 -6.815380786e-01 4.28 -3.334889965e-01 -5.564525223e-01 -6.640721001e-01 4.30 -3.238133493e-01 -5.417975970e-01 -6.470235781e-01 4.32 -3.144099642e-01 -5.275060917e-01 -6.303843032e-01 4.34 -3.052717348e-01 -5.135703343e-01 -6.141461170e-01 4.36 -2.963917039e-01 -4.999827305e-01 -5.983009203e-01 4.38 -2.877630629e-01 -4.867357701e-01 -5.828406803e-01 4.40 -2.793791515e-01 -4.738220309e-01 -5.677574372e-01 4.42 -2.712334559e-01 -4.612341836e-01 -5.530433101e-01 4.44 -2.633196082e-01 -4.489649949e-01 -5.386905024e-01 4.46 -2.556313846e-01 -4.370073315e-01 -5.034886539e-01 4.48 -2.481627041e-01 -4.253541622e-01 -4.906355801e-01 4.50 -2.409076269e-01 -4.139985611e-01 -4.780909098e-01 4.52 -2.338603525e-01 -4.029337091e-01 -4.658483492e-01 4.54 -2.270152180e-01 -3.921528962e-01 -4.539016667e-01 4.56 -2.203666961e-01 -3.816495225e-01 -4.422446974e-01 4.58 -2.139093930e-01 -3.714170996e-01 -4.308713463e-01 4.60 -2.076380467e-01 -3.614492516e-01 -4.197755916e-01 4.62 -2.015475243e-01 -3.517397155e-01 -4.089514877e-01 4.64 -1.956328205e-01 -3.422823417e-01 -3.983931675e-01 4.66 -1.898890548e-01 -3.330710945e-01 -3.880948450e-01 4.68 -1.843114696e-01 -3.241000517e-01 -3.780508167e-01 4.70 -1.788954279e-01 -3.153634047e-01 -3.682554638e-01 4.72 -1.736364109e-01 -3.068554582e-01 -3.587032531e-01 4.74 -1.685300158e-01 -2.985706294e-01 -3.493887386e-01 4.76 -1.635719536e-01 -2.905034479e-01 -3.403065622e-01 4.78 -1.587580466e-01 -2.826485548e-01 -3.314514545e-01 4.80 -1.540842261e-01 -2.750007015e-01 -3.228182356e-01 4.82 -1.495465304e-01 -2.675547494e-01 -3.144018149e-01 4.84 -1.451411022e-01 -2.603056682e-01 -3.061971922e-01 4.86 -1.408641864e-01 -2.532485353e-01 -2.981994569e-01 4.88 -1.367121281e-01 -2.463785343e-01 -2.904037886e-01 4.90 -1.326813698e-01 -2.396909541e-01 -2.828054567e-01 4.92 -1.287684500e-01 -2.331811871e-01 -2.753998200e-01 4.94 -1.249700002e-01 -2.268447282e-01 -2.681823264e-01 4.96 -1.212827433e-01 -2.206771731e-01 -2.611485125e-01 4.98 -1.177034910e-01 -2.146742172e-01 -2.542940029e-01 5.00 -1.142291423e-01 -2.088316539e-01 -2.476145097e-01 5.02 -1.108566807e-01 -2.031453729e-01 -2.411058315e-01 5.04 -1.075831727e-01 -1.976113591e-01 -2.347638529e-01 5.06 -1.044057656e-01 -1.922256907e-01 -2.285845433e-01 5.08 -1.013216854e-01 -1.869845375e-01 -2.225639562e-01 5.10 -9.832823504e-02 -1.818841599e-01 -2.166982286e-01 5.12 -9.542279224e-02 -1.769209067e-01 -2.109835790e-01 5.14 -9.260280790e-02 -1.720912136e-01 -2.054163076e-01 5.16 -6.874315506e-02 -1.673916018e-01 -1.999927940e-01 5.18 -6.677652804e-02 -1.628186764e-01 -1.947094972e-01 5.20 -6.486569289e-02 -1.583691245e-01 -1.895629535e-01 5.22 -6.300909868e-02 -1.540397138e-01 -1.845497762e-01 5.24 -6.120523563e-02 -1.498272911e-01 -1.796666538e-01 5.26 -5.945263408e-02 -1.457287804e-01 -1.749103490e-01 5.28 -5.774986361e-02 -1.417411816e-01 -1.702776977e-01 5.30 -5.609553205e-02 -1.378615689e-01 -1.657656074e-01 5.32 -5.448828458e-02 -1.340870890e-01 -1.613710563e-01 5.34 -5.292680282e-02 -1.304149598e-01 -1.570910921e-01 5.36 -5.140980394e-02 -1.268424691e-01 -1.529228304e-01 5.38 -4.993603978e-02 -1.233669724e-01 -1.488634538e-01 5.40 -4.850429598e-02 -1.199858921e-01 -1.449102108e-01 5.42 -4.711339118e-02 -1.166967157e-01 -1.410604140e-01 5.44 -4.576217615e-02 -1.134969944e-01 -1.373114394e-01 5.46 -4.444953300e-02 -8.910715006e-02 -1.336607251e-01 5.48 -4.317437438e-02 -8.673717993e-02 -1.301057699e-01 5.50 -4.193564273e-02 -8.442942149e-02 -1.266441322e-01 5.52 -4.073230947e-02 -8.218228598e-02 -1.232734290e-01 5.54 -3.956337428e-02 -7.999422279e-02 -1.199913342e-01 5.56 -3.842786441e-02 -7.786371870e-02 -1.167955781e-01 5.58 -3.732483391e-02 -7.578929708e-02 -1.136839456e-01 5.60 -3.625336293e-02 -7.376951714e-02 -1.106542757e-01 5.62 -3.521255710e-02 -7.180297317e-02 -1.077044597e-01 5.64 -1.323414997e-02 -6.988829379e-02 -1.048324407e-01 5.66 -1.288239676e-02 -6.802414124e-02 -1.020362119e-01 5.68 -1.253989724e-02 -6.620921061e-02 -9.931381592e-02 5.70 -1.220641309e-02 -6.444222916e-02 -9.666334375e-02 5.72 -1.188171184e-02 -6.272195560e-02 -9.408293340e-02 5.74 -1.156556678e-02 -6.104717936e-02 -9.157076905e-02 5.76 -1.125775677e-02 -5.941671999e-02 -8.912507998e-02 5.78 -1.095806617e-02 -5.782942638e-02 -8.674413957e-02 5.80 -1.066628471e-02 -5.628417619e-02 -8.442626428e-02 5.82 -1.038220732e-02 -5.477987512e-02 -8.216981268e-02 5.84 -1.010563409e-02 -5.331545634e-02 -7.997318451e-02 5.86 -9.836370075e-03 -5.188987980e-02 -7.783481971e-02 5.88 -9.574225236e-03 -5.050213165e-02 -7.575319748e-02 5.90 -9.319014302e-03 -4.915122361e-02 -7.372683542e-02 5.92 -9.070556664e-03 -4.783619238e-02 -7.175428857e-02 5.94 -8.828676266e-03 -4.655609906e-02 -6.983414859e-02 5.96 -8.593201502e-03 -4.531002856e-02 -6.796504285e-02 5.98 -8.363965107e-03 -4.409708908e-02 -6.614563361e-02 6.00 -8.140804055e-03 -4.291641148e-02 -6.437461722e-02