# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = CuNi3 # 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 4.132423823e+02 nan nan 0.82 3.850181974e+02 nan nan 0.84 3.588411824e+02 nan nan 0.86 3.343955435e+02 nan nan 0.88 3.114563267e+02 nan nan 0.90 2.898523927e+02 3.800561329e+02 nan 0.92 2.694636417e+02 3.564880514e+02 3.866778313e+02 0.94 2.501944735e+02 3.342808610e+02 3.634911792e+02 0.96 2.319859356e+02 3.132751741e+02 3.416401909e+02 0.98 2.147806542e+02 2.933490014e+02 3.209489924e+02 1.00 1.985325752e+02 2.744179271e+02 3.013120093e+02 1.02 1.832172993e+02 2.564175652e+02 2.826279261e+02 1.04 1.688058397e+02 2.393014411e+02 2.648347746e+02 1.06 1.552629268e+02 2.230330970e+02 2.478774099e+02 1.08 1.425670668e+02 2.075888825e+02 2.317212823e+02 1.10 1.306846448e+02 1.929318133e+02 2.163352583e+02 1.12 1.195896906e+02 1.790464035e+02 2.016896479e+02 1.14 1.092510136e+02 1.659098166e+02 1.877744732e+02 1.16 9.963452979e+01 1.535087333e+02 1.745688315e+02 1.18 9.070793314e+01 1.418161174e+02 1.620558817e+02 1.20 8.244087617e+01 1.308189926e+02 1.502247524e+02 1.22 7.479801199e+01 1.204907942e+02 1.390529812e+02 1.24 6.774255848e+01 1.108146197e+02 1.285281016e+02 1.26 6.124701592e+01 1.017635308e+02 1.186217705e+02 1.28 5.527670432e+01 9.330892634e+01 1.093222799e+02 1.30 4.979963051e+01 8.542804707e+01 1.006042690e+02 1.32 4.478090175e+01 7.809302291e+01 9.244882095e+01 1.34 4.019027808e+01 7.127751763e+01 8.482731716e+01 1.36 3.600127124e+01 6.495822688e+01 7.771586472e+01 1.38 3.218317312e+01 5.910751183e+01 7.109507895e+01 1.40 2.871074179e+01 5.369692465e+01 6.493670178e+01 1.42 2.555801626e+01 4.869794849e+01 5.922259591e+01 1.44 2.269862929e+01 4.408973202e+01 5.392890448e+01 1.46 2.011162672e+01 3.984815383e+01 4.902993140e+01 1.48 1.777563806e+01 3.595014100e+01 4.450455095e+01 1.50 1.566833071e+01 3.237473209e+01 4.033080439e+01 1.52 1.377261970e+01 2.910069676e+01 3.648616590e+01 1.54 1.207152489e+01 2.610669512e+01 3.294796241e+01 1.56 1.054792851e+01 2.337335310e+01 2.969960302e+01 1.58 9.183980584e+00 2.088178387e+01 2.672064230e+01 1.60 7.968472431e+00 1.861416045e+01 2.399329273e+01 1.62 6.829534307e+00 1.654959938e+01 2.149567836e+01 1.64 5.837140236e+00 1.467705408e+01 1.921641126e+01 1.66 4.907895904e+00 1.298059182e+01 1.713842334e+01 1.68 4.060306857e+00 1.144652738e+01 1.524701338e+01 1.70 3.275606025e+00 1.006247324e+01 1.352922198e+01 1.72 2.549044469e+00 8.814152695e+00 1.197127670e+01 1.74 1.878392790e+00 7.693342206e+00 1.056155089e+01 1.76 1.259285706e+00 6.650754928e+00 9.288290112e+00 1.78 6.882889044e-01 5.712526169e+00 8.140690591e+00 1.80 1.629483823e-01 4.847630749e+00 7.108814608e+00 1.82 -3.187891383e-01 4.056764247e+00 6.121034701e+00 1.84 -7.597080419e-01 3.320850882e+00 5.254388564e+00 1.86 -1.163675766e+00 2.636633990e+00 4.435580809e+00 1.88 -1.531505771e+00 1.998938117e+00 3.684607901e+00 1.90 -1.864627917e+00 1.407646477e+00 2.984117055e+00 1.92 -2.165270276e+00 8.584009865e-01 2.332604699e+00 1.94 -2.436691129e+00 3.488240451e-01 1.727208242e+00 1.96 -2.680799424e+00 -1.215868282e-01 1.165228092e+00 1.98 -2.899397202e+00 -5.558493094e-01 6.433913323e-01 2.00 -3.094185744e+00 -9.557258372e-01 1.602102830e-01 2.02 -3.266771259e+00 -1.322930967e+00 -2.865734126e-01 2.04 -3.418671658e+00 -1.659441249e+00 -6.993521524e-01 2.06 -3.550965974e+00 -1.966695413e+00 -1.079824877e+00 2.08 -3.665517058e+00 -2.245994532e+00 -1.429872189e+00 2.10 -3.763580309e+00 -2.500068391e+00 -1.751275752e+00 2.12 -3.846556524e+00 -2.730426200e+00 -2.045717616e+00 2.14 -3.914710511e+00 -2.938528471e+00 -2.313017145e+00 2.16 -3.969728892e+00 -3.125894437e+00 -2.557832669e+00 2.18 -4.013499484e+00 -3.293693425e+00 -2.780793441e+00 2.20 -4.045898795e+00 -3.443132524e+00 -2.982634335e+00 2.22 -4.067817651e+00 -3.575382881e+00 -3.164896396e+00 2.24 -4.080106290e+00 -3.690953493e+00 -3.329029248e+00 2.26 -4.083158226e+00 -3.791406835e+00 -3.475587503e+00 2.28 -4.078121193e+00 -3.877905305e+00 -3.605673432e+00 2.30 -4.065709091e+00 -3.951378331e+00 -3.719860756e+00 2.32 -4.046568552e+00 -4.012448938e+00 -3.819395203e+00 2.34 -4.021304723e+00 -4.061895668e+00 -3.905501848e+00 2.36 -3.990483474e+00 -4.100728960e+00 -3.979055503e+00 2.38 -3.954633530e+00 -4.129853158e+00 -4.040887897e+00 2.40 -3.914248489e+00 -4.149965512e+00 -4.091190374e+00 2.42 -3.870216645e+00 -4.162210736e+00 -4.131980278e+00 2.44 -3.822506444e+00 -4.166685405e+00 -4.163267285e+00 2.46 -3.771521227e+00 -4.163608163e+00 -4.185719637e+00 2.48 -3.717680080e+00 -4.154002423e+00 -4.200047519e+00 2.50 -3.659826661e+00 -4.138510467e+00 -4.206990926e+00 2.52 -3.599759102e+00 -4.118411008e+00 -4.206700509e+00 2.54 -3.537441365e+00 -4.093603670e+00 -4.199705680e+00 2.56 -3.473011931e+00 -4.064015135e+00 -4.186717044e+00 2.58 -3.408235337e+00 -4.030069210e+00 -4.168207358e+00 2.60 -3.342716352e+00 -3.992719748e+00 -4.144622304e+00 2.62 -3.276291885e+00 -3.951925949e+00 -4.116381794e+00 2.64 -3.209160378e+00 -3.907849209e+00 -4.083881206e+00 2.66 -3.141497639e+00 -3.860821751e+00 -4.047492576e+00 2.68 -3.073773534e+00 -3.811153954e+00 -4.007565735e+00 2.70 -3.005867907e+00 -3.758805405e+00 -3.964429409e+00 2.72 -2.937887557e+00 -3.703407847e+00 -3.918392269e+00 2.74 -2.869962919e+00 -3.646015290e+00 -3.869743950e+00 2.76 -2.802576742e+00 -3.586968185e+00 -3.818756335e+00 2.78 -2.735601740e+00 -3.525865173e+00 -3.766004434e+00 2.80 -2.668986415e+00 -3.463733295e+00 -3.711043934e+00 2.82 -2.602821837e+00 -3.400730045e+00 -3.654507171e+00 2.84 -2.537190369e+00 -3.337020953e+00 -3.596414928e+00 2.86 -2.472205046e+00 -3.272759663e+00 -3.536458062e+00 2.88 -2.408213380e+00 -3.208088596e+00 -3.476230609e+00 2.90 -2.344941407e+00 -3.143139613e+00 -3.415135906e+00 2.92 -2.282443236e+00 -3.078034592e+00 -3.353330999e+00 2.94 -2.220766886e+00 -3.012903801e+00 -3.290961911e+00 2.96 -2.159953007e+00 -2.948797892e+00 -3.228164293e+00 2.98 -2.100047416e+00 -2.884789163e+00 -3.165063974e+00 3.00 -2.041071643e+00 -2.820981856e+00 -3.101777556e+00 3.02 -1.983002027e+00 -2.757460133e+00 -3.038412911e+00 3.04 -1.925779159e+00 -2.694507529e+00 -2.975069755e+00 3.06 -1.869513181e+00 -2.632240771e+00 -2.911840016e+00 3.08 -1.814105483e+00 -2.570452607e+00 -2.848808398e+00 3.10 -1.759236137e+00 -2.509202013e+00 -2.786052788e+00 3.12 -1.705248892e+00 -2.448542423e+00 -2.723644638e+00 3.14 -1.652421331e+00 -2.388522087e+00 -2.661649353e+00 3.16 -1.600696632e+00 -2.329184413e+00 -2.600126682e+00 3.18 -1.550047259e+00 -2.270568366e+00 -2.539131061e+00 3.20 -1.500479894e+00 -2.212708691e+00 -2.478711943e+00 3.22 -1.451996101e+00 -2.155634599e+00 -2.418914128e+00 3.24 -1.404581769e+00 -2.099378573e+00 -2.359778058e+00 3.26 -1.358237821e+00 -2.043964653e+00 -2.301340028e+00 3.28 -1.312955122e+00 -1.989367566e+00 -2.243632432e+00 3.30 -1.268713717e+00 -1.935567308e+00 -2.186684083e+00 3.32 -1.225516560e+00 -1.882596990e+00 -2.130518778e+00 3.34 -1.183354446e+00 -1.830316691e+00 -2.075170969e+00 3.36 -1.142189536e+00 -1.778536271e+00 -2.020637375e+00 3.38 -1.102023904e+00 -1.727489372e+00 -1.966885564e+00 3.40 -1.062868049e+00 -1.677435639e+00 -1.914116889e+00 3.42 -1.024681199e+00 -1.628368963e+00 -1.862594376e+00 3.44 -9.873983185e-01 -1.580253565e+00 -1.811579613e+00 3.46 -9.510289600e-01 -1.533087945e+00 -1.761068726e+00 3.48 -9.156221929e-01 -1.486874029e+00 -1.711399208e+00 3.50 -8.811860760e-01 -1.441608381e+00 -1.662698865e+00 3.52 -8.474542944e-01 -1.397282004e+00 -1.615224514e+00 3.54 -8.145354493e-01 -1.353892314e+00 -1.568642751e+00 3.56 -7.826450232e-01 -1.311432178e+00 -1.522957392e+00 3.58 -7.518660039e-01 -1.269887818e+00 -1.478172099e+00 3.60 -7.221976124e-01 -1.229255310e+00 -1.434279157e+00 3.62 -6.936368611e-01 -1.189527454e+00 -1.391273524e+00 3.64 -6.663743830e-01 -1.150685773e+00 -1.349158173e+00 3.66 -6.402854185e-01 -1.112721067e+00 -1.307918663e+00 3.68 -6.148604590e-01 -1.075624331e+00 -1.267546305e+00 3.70 -5.897393738e-01 -1.039388832e+00 -1.228045051e+00 3.72 -5.646809079e-01 -1.003988752e+00 -1.189401307e+00 3.74 -5.395298470e-01 -9.694022119e-01 -1.151595920e+00 3.76 -5.141825317e-01 -9.356177279e-01 -1.114624047e+00 3.78 -4.886501883e-01 -9.025801405e-01 -1.078493888e+00 3.80 -4.629794824e-01 -8.703265039e-01 -1.043181798e+00 3.82 -4.372320263e-01 -8.387662931e-01 -1.008656825e+00 3.84 -4.113973113e-01 -8.079841370e-01 -9.749081681e-01 3.86 -3.855225429e-01 -7.781161295e-01 -9.419270206e-01 3.88 -3.599165656e-01 -7.492926402e-01 -9.097513529e-01 3.90 -3.348225756e-01 -7.215654087e-01 -8.782985226e-01 3.92 -3.105028008e-01 -6.949160659e-01 -8.474086346e-01 3.94 -2.903243307e-01 -6.691720532e-01 -8.172359188e-01 3.96 -2.708813798e-01 -6.443392209e-01 -7.879093447e-01 3.98 -2.522624016e-01 -6.201144503e-01 -7.595612044e-01 4.00 -2.344827311e-01 -5.961893330e-01 -7.322186083e-01 4.02 -2.175454631e-01 -5.723507820e-01 -7.058621978e-01 4.04 -2.014440597e-01 -5.484608074e-01 -6.805869044e-01 4.06 -1.861645041e-01 -5.244398847e-01 -6.564370465e-01 4.08 -1.716870730e-01 -5.002322776e-01 -6.329981115e-01 4.10 -1.579877919e-01 -4.758250256e-01 -6.099473865e-01 4.12 -1.450396215e-01 -4.512491643e-01 -5.870562183e-01 4.14 -1.328134216e-01 -4.266464446e-01 -5.641707520e-01 4.16 -1.212787287e-01 -4.023510058e-01 -5.411959875e-01 4.18 -1.104043798e-01 -3.798443942e-01 -5.180781915e-01 4.20 -1.001590088e-01 -3.575928656e-01 -4.947807554e-01 4.22 -9.051143392e-02 -3.358126011e-01 -4.713421332e-01 4.24 -8.143095995e-02 -3.146197155e-01 -4.478200379e-01 4.26 -7.288760859e-02 -2.941000350e-01 -4.242354889e-01 4.28 -6.485693805e-02 -2.743001994e-01 -4.005669174e-01 4.30 -5.760691900e-02 -2.560617635e-01 -3.770481250e-01 4.32 -5.143978294e-02 -2.389495878e-01 -3.538855294e-01 4.34 -4.562320808e-02 -2.225844142e-01 -3.312383401e-01 4.36 -4.015181996e-02 -2.069663377e-01 -3.092267834e-01 4.38 -3.500600859e-02 -1.920881866e-01 -2.879390286e-01 4.40 -3.016708671e-02 -1.779370980e-01 -2.674370098e-01 4.42 -2.559609694e-02 -1.644958250e-01 -2.477613096e-01 4.44 -2.268538650e-02 -1.517438201e-01 -2.289352477e-01 4.46 -2.069336147e-02 -1.396581263e-01 -2.109682950e-01 4.48 -1.881569162e-02 -1.282141092e-01 -1.938589178e-01 4.50 -1.704591247e-02 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