# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Fe-Ti-Co # implementation = 2025--Sharifi-H--Fe-Ti-Co--LAMMPS--ipr1 # composition = CoFe3 # 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 6.942016719e+02 nan nan 0.92 6.217688493e+02 nan nan 0.94 5.551721248e+02 nan nan 0.96 4.946399545e+02 nan nan 0.98 4.401021550e+02 6.609972176e+02 nan 1.00 3.910738562e+02 6.019417493e+02 nan 1.02 3.467612347e+02 5.452556634e+02 6.576931848e+02 1.04 3.069764648e+02 4.917431942e+02 5.972312045e+02 1.06 2.714649500e+02 4.419264576e+02 5.398979071e+02 1.08 2.399127435e+02 3.960513451e+02 4.863060309e+02 1.10 2.119780602e+02 3.541684089e+02 4.367695827e+02 1.12 1.873129223e+02 3.161937446e+02 3.913881553e+02 1.14 1.655775703e+02 2.819544694e+02 3.501110879e+02 1.16 1.464496165e+02 2.512223781e+02 3.127859613e+02 1.18 1.296294129e+02 2.237385041e+02 2.791948708e+02 1.20 1.148427497e+02 1.992307736e+02 2.490812812e+02 1.22 1.018417129e+02 1.774264179e+02 2.221696143e+02 1.24 9.040430087e+01 1.580604373e+02 1.981792649e+02 1.26 8.033324502e+01 1.408811252e+02 1.768343857e+02 1.28 7.145435135e+01 1.256534184e+02 1.578704652e+02 1.30 6.361458906e+01 1.121606706e+02 1.410385140e+02 1.32 5.668008333e+01 1.002052936e+02 1.261074794e+02 1.34 5.053411638e+01 8.960861055e+01 1.128653706e+02 1.36 4.507521911e+01 8.021017932e+01 1.011194691e+02 1.38 4.021537891e+01 7.186677148e+01 9.069589687e+01 1.40 3.587839285e+01 6.445115334e+01 8.143876350e+01 1.42 3.199837578e+01 5.785076878e+01 7.320904809e+01 1.44 2.851842275e+01 5.196639362e+01 6.588332399e+01 1.46 2.538942270e+01 4.671081631e+01 5.935242587e+01 1.48 2.256901295e+01 4.200757453e+01 5.352011132e+01 1.50 2.002066346e+01 3.778976940e+01 4.830175955e+01 1.52 1.771288019e+01 3.399897139e+01 4.362313792e+01 1.54 1.561851526e+01 3.058421958e+01 3.941924787e+01 1.56 1.371416244e+01 2.750111710e+01 3.563326291e+01 1.58 1.197963875e+01 2.471102021e+01 3.221556205e+01 1.60 1.039753878e+01 2.218031435e+01 2.912285530e+01 1.62 8.952843182e+00 1.987977322e+01 2.631739952e+01 1.64 7.632488363e+00 1.778399344e+01 2.376630218e+01 1.66 6.424990974e+00 1.587089755e+01 2.144090616e+01 1.68 5.320236286e+00 1.412129935e+01 1.931624617e+01 1.70 4.309307982e+00 1.251852309e+01 1.737057067e+01 1.72 3.384340154e+00 1.104804599e+01 1.558492341e+01 1.74 2.538388461e+00 9.697133023e+00 1.394277880e+01 1.76 1.765309354e+00 8.454564927e+00 1.242972392e+01 1.78 1.059582685e+00 7.310444995e+00 1.103318243e+01 1.80 4.161530650e-01 6.256033917e+00 9.742175383e+00 1.82 -1.696249345e-01 5.283605947e+00 8.547113495e+00 1.84 -7.020247193e-01 4.386324165e+00 7.439617676e+00 1.86 -1.184981239e+00 3.558132248e+00 6.412364697e+00 1.88 -1.622120872e+00 2.793660353e+00 5.458953850e+00 1.90 -2.016789087e+00 2.088143013e+00 4.573787823e+00 1.92 -2.372074688e+00 1.437347826e+00 3.751971454e+00 1.94 -2.690831439e+00 8.375133073e-01 2.989224295e+00 1.96 -2.975697505e+00 2.852940721e-01 2.281803837e+00 1.98 -3.229113890e+00 -2.223114455e-01 1.626402217e+00 2.00 -3.453352144e+00 -6.880781934e-01 1.019975248e+00 2.02 -3.650539140e+00 -1.114621333e+00 4.596467274e-01 2.04 -3.822664747e+00 -1.504409379e+00 -5.730699571e-02 2.06 -3.971593217e+00 -1.859772012e+00 -5.334646982e-01 2.08 -4.099071477e+00 -2.182907481e+00 -9.712675889e-01 2.10 -4.206735927e+00 -2.475889639e+00 -1.373026279e+00 2.12 -4.296118855e+00 -2.740675390e+00 -1.740927374e+00 2.14 -4.368654638e+00 -2.979121216e+00 -2.077040276e+00 2.16 -4.425685901e+00 -3.192983779e+00 -2.383324898e+00 2.18 -4.468468421e+00 -3.383916128e+00 -2.661635156e+00 2.20 -4.498190120e+00 -3.553473324e+00 -2.913723619e+00 2.22 -4.515993354e+00 -3.703118062e+00 -3.141246742e+00 2.24 -4.522943143e+00 -3.834225938e+00 -3.345769819e+00 2.26 -4.520026563e+00 -3.948090439e+00 -3.528771710e+00 2.28 -4.508158190e+00 -4.045927622e+00 -3.691649308e+00 2.30 -4.488185168e+00 -4.128880530e+00 -3.835721787e+00 2.32 -4.460891908e+00 -4.198023358e+00 -3.962234644e+00 2.34 -4.427004467e+00 -4.254365369e+00 -4.072363521e+00 2.36 -4.387194606e+00 -4.298854597e+00 -4.167217845e+00 2.38 -4.342083572e+00 -4.332381333e+00 -4.247844286e+00 2.40 -4.292245617e+00 -4.355781411e+00 -4.315230025e+00 2.42 -4.238211257e+00 -4.369839313e+00 -4.370305879e+00 2.44 -4.180470328e+00 -4.375291226e+00 -4.413949449e+00 2.46 -4.119474785e+00 -4.372836958e+00 -4.447001659e+00 2.48 -4.055640973e+00 -4.363145533e+00 -4.470273906e+00 2.50 -3.989352192e+00 -4.346841531e+00 -4.484526414e+00 2.52 -3.920961383e+00 -4.324507380e+00 -4.490470583e+00 2.54 -3.850793252e+00 -4.296686074e+00 -4.488772075e+00 2.56 -3.779146237e+00 -4.263883682e+00 -4.480053628e+00 2.58 -3.706294337e+00 -4.226571690e+00 -4.464897700e+00 2.60 -3.632488820e+00 -4.185189199e+00 -4.443848950e+00 2.62 -3.557959814e+00 -4.140144977e+00 -4.417416558e+00 2.64 -3.482917787e+00 -4.091819382e+00 -4.386076402e+00 2.66 -3.407554931e+00 -4.040566170e+00 -4.350273104e+00 2.68 -3.332046447e+00 -3.986714174e+00 -4.310421939e+00 2.70 -3.256551747e+00 -3.930568890e+00 -4.266910637e+00 2.72 -3.181215576e+00 -3.872413958e+00 -4.220101069e+00 2.74 -3.106169049e+00 -3.812512547e+00 -4.170330828e+00 2.76 -3.031530629e+00 -3.751108662e+00 -4.117914716e+00 2.78 -2.957407033e+00 -3.688428356e+00 -4.063146137e+00 2.80 -2.883894074e+00 -3.624680881e+00 -4.006298410e+00 2.82 -2.811077455e+00 -3.560059753e+00 -3.947625998e+00 2.84 -2.739033496e+00 -3.494743763e+00 -3.887365664e+00 2.86 -2.667829827e+00 -3.428897917e+00 -3.825737556e+00 2.88 -2.597526017e+00 -3.362674320e+00 -3.762946229e+00 2.90 -2.528174177e+00 -3.296213007e+00 -3.699181603e+00 2.92 -2.459819509e+00 -3.229642721e+00 -3.634619862e+00 2.94 -2.392500823e+00 -3.163081640e+00 -3.569424307e+00 2.96 -2.326251019e+00 -3.096638064e+00 -3.503746146e+00 2.98 -2.261097533e+00 -3.030411059e+00 -3.437725247e+00 3.00 -2.197062757e+00 -2.964491056e+00 -3.371490840e+00 3.02 -2.134164422e+00 -2.898960419e+00 -3.305162180e+00 3.04 -2.072415966e+00 -2.833893975e+00 -3.238849170e+00 3.06 -2.011826863e+00 -2.769359511e+00 -3.172652945e+00 3.08 -1.952402940e+00 -2.705418241e+00 -3.106666424e+00 3.10 -1.894146670e+00 -2.642125245e+00 -3.040974827e+00 3.12 -1.837057438e+00 -2.579529879e+00 -2.975656166e+00 3.14 -1.781131793e+00 -2.517676161e+00 -2.910781697e+00 3.16 -1.726363687e+00 -2.456603131e+00 -2.846416357e+00 3.18 -1.672744688e+00 -2.396345194e+00 -2.782619165e+00 3.20 -1.620264183e+00 -2.336932433e+00 -2.719443609e+00 3.22 -1.568909569e+00 -2.278390908e+00 -2.656938000e+00 3.24 -1.518666427e+00 -2.220742938e+00 -2.595145810e+00 3.26 -1.469518684e+00 -2.164007362e+00 -2.534105993e+00 3.28 -1.421448771e+00 -2.108199782e+00 -2.473853281e+00 3.30 -1.374437759e+00 -2.053332796e+00 -2.414418466e+00 3.32 -1.328465498e+00 -1.999416211e+00 -2.355828664e+00 3.34 -1.283510743e+00 -1.946457246e+00 -2.298107563e+00 3.36 -1.239551270e+00 -1.894460719e+00 -2.241275657e+00 3.38 -1.196563992e+00 -1.843429227e+00 -2.185350468e+00 3.40 -1.154525068e+00 -1.793363307e+00 -2.130346748e+00 3.42 -1.113410004e+00 -1.744261595e+00 -2.076276677e+00 3.44 -1.073193757e+00 -1.696120968e+00 -2.023150045e+00 3.46 -1.033850834e+00 -1.648936679e+00 -1.970974422e+00 3.48 -9.953553888e-01 -1.602702485e+00 -1.919755322e+00 3.50 -9.576813248e-01 -1.557410763e+00 -1.869496352e+00 3.52 -9.208023917e-01 -1.513052623e+00 -1.820199359e+00 3.54 -8.846922905e-01 -1.469618009e+00 -1.771864548e+00 3.56 -8.493247793e-01 -1.427095796e+00 -1.724490620e+00 3.58 -8.146737860e-01 -1.385473882e+00 -1.678074903e+00 3.60 -7.807135257e-01 -1.344739267e+00 -1.632613439e+00 3.62 -7.474186263e-01 -1.304878141e+00 -1.588101099e+00 3.64 -7.147642622e-01 -1.265875947e+00 -1.544531675e+00 3.66 -6.827262974e-01 -1.227717461e+00 -1.501897978e+00 3.68 -6.512814385e-01 -1.190386849e+00 -1.460191915e+00 3.70 -6.204073987e-01 -1.153867736e+00 -1.419404577e+00 3.72 -5.900830726e-01 -1.118143259e+00 -1.379526309e+00 3.74 -5.602887213e-01 -1.083196128e+00 -1.340546781e+00 3.76 -5.310061678e-01 -1.049008674e+00 -1.302455054e+00 3.78 -5.022190012e-01 -1.015562909e+00 -1.265239641e+00 3.80 -4.739127865e-01 -9.828405697e-01 -1.228888564e+00 3.82 -4.460752795e-01 -9.508231713e-01 -1.193389409e+00 3.84 -4.186966400e-01 -9.194920571e-01 -1.158729372e+00 3.86 -3.917696407e-01 -8.888284487e-01 -1.124895312e+00 3.88 -3.652898647e-01 -8.588134975e-01 -1.091873788e+00 3.90 -3.392558844e-01 -8.294283382e-01 -1.059651102e+00 3.92 -3.136694144e-01 -8.006541439e-01 -1.028213336e+00 3.94 -2.885354284e-01 -7.724721850e-01 -9.975463893e-01 3.96 -2.638622313e-01 -7.448638909e-01 -9.676360066e-01 3.98 -2.396614751e-01 -7.178109171e-01 -9.384678114e-01 4.00 -2.159481106e-01 -6.912952160e-01 -9.100273323e-01 4.02 -1.955497759e-01 -6.652991147e-01 -8.823000294e-01 4.04 -2.180146080e-01 -6.398053976e-01 -8.552713172e-01 4.06 -3.050502578e-01 -6.147973971e-01 -8.289265874e-01 4.08 -9.187825051e-02 -5.902590896e-01 -8.032512284e-01 4.10 -8.545436674e-02 -5.661752004e-01 -7.782306441e-01 4.12 -7.765441717e-02 -5.425313141e-01 -7.538502709e-01 4.14 -7.016591870e-02 -5.193139922e-01 -7.300955927e-01 4.16 -6.297747394e-02 -4.965108969e-01 -7.069521560e-01 4.18 -5.607836955e-02 -4.741109188e-01 -6.844055816e-01 4.20 -4.945849485e-02 -4.521043079e-01 -6.624415772e-01 4.22 -4.310826826e-02 -4.304828050e-01 -6.410459476e-01 4.24 -3.701857238e-02 -4.092397709e-01 -6.202046038e-01 4.26 -3.118069763e-02 -3.883790711e-01 -5.999035722e-01 4.28 -2.558629422e-02 -3.678641802e-01 -5.801290016e-01 4.30 -2.022733206e-02 -3.443089977e-01 -5.608671702e-01 4.32 -1.509606760e-02 -3.114851475e-01 -5.421044911e-01 4.34 -1.018501698e-02 -2.940309250e-01 -5.238275183e-01 4.36 -5.486934472e-03 -2.789444247e-01 -5.060229503e-01 4.38 -9.947952907e-04 -2.645813750e-01 -4.886776344e-01 4.40 2.930938327e-03 -2.509230395e-01 -4.717785699e-01 4.42 -1.948150072e-04 -2.379467088e-01 -4.553129108e-01 4.44 -2.216994444e-02 -2.256262618e-01 -4.392679684e-01 4.46 -2.711687077e-02 -2.139328016e-01 -4.236312125e-01 4.48 1.606042155e-02 -2.028353388e-01 -4.083902736e-01 4.50 1.735400036e-02 -1.923014885e-01 -3.935329435e-01 4.52 1.859467547e-02 -1.822981534e-01 -3.790471764e-01 4.54 1.978389603e-02 -1.727921684e-01 -3.649210895e-01 4.56 2.092308326e-02 -1.637508825e-01 -3.511429634e-01 4.58 2.201363053e-02 -1.551426644e-01 -3.377012425e-01 4.60 2.305690333e-02 -1.469373203e-01 -3.245845352e-01 4.62 2.405423940e-02 -1.391064172e-01 -3.117816139e-01 4.64 2.500694882e-02 -1.316235128e-01 -2.992814155e-01 4.66 2.591631416e-02 -1.244642947e-01 -2.870730418e-01 4.68 2.678359064e-02 -1.176066371e-01 -2.751457597e-01 4.70 2.761000636e-02 -1.110305846e-01 -2.634890022e-01 4.72 2.839676249e-02 -1.047182758e-01 -2.520923696e-01 4.74 2.914503354e-02 -9.865381936e-02 -2.409456305e-01 4.76 2.985596762e-02 -9.282313565e-02 -2.300387243e-01 4.78 3.053068670e-02 -8.721377713e-02 -2.193617640e-01 4.80 3.117028695e-02 -8.181473804e-02 -2.089050385e-01 4.82 3.177583901e-02 -7.661626377e-02 -1.986590182e-01 4.84 3.234838835e-02 -7.160966762e-02 -1.886143589e-01 4.86 3.288895559e-02 -6.678716081e-02 -1.787619088e-01 4.88 3.339853688e-02 -6.214169980e-02 -1.690927155e-01 4.90 3.387810421e-02 -5.766685294e-02 -1.595980354e-01 4.92 3.421884216e-02 -5.362006749e-02 -1.505868437e-01 4.94 3.299449144e-02 -5.331080353e-02 -1.460053244e-01 4.96 2.662654145e-02 -6.197234328e-02 -1.503307072e-01 4.98 1.237948796e-02 -6.210010915e-02 -1.287749962e-01 5.00 -6.288820678e-23 -3.066989616e-22 -3.215806160e-22 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 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