# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2016--Beland-L-K-Lu-C-Osetskiy-Y-N-et-al--Ni-Co # implementation = 2016--Beland-L-K--Ni-Co--LAMMPS--ipr2 # composition = Co3Ni # 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 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 9.185488102e+04 nan nan 1.02 8.128407593e+04 nan nan 1.04 7.153023644e+04 nan nan 1.06 6.250549166e+04 nan nan 1.08 5.412342103e+04 nan nan 1.10 4.629965645e+04 8.747840163e+04 nan 1.12 3.898311593e+04 7.802635499e+04 9.313107524e+04 1.14 3.212635140e+04 6.924436606e+04 8.354131724e+04 1.16 2.570511173e+04 6.107210416e+04 7.461657180e+04 1.18 1.971237665e+04 5.344552658e+04 6.627999882e+04 1.20 1.412950338e+04 4.629418839e+04 5.847210599e+04 1.22 8.939384103e+03 3.957864352e+04 5.114179251e+04 1.24 4.710093410e+03 3.325368881e+04 4.425524226e+04 1.26 2.092598993e+03 2.729183965e+04 3.778194597e+04 1.28 6.495406254e+02 2.170091023e+04 3.172655430e+04 1.30 -1.202195268e+01 1.645740740e+04 2.605881241e+04 1.32 -2.221067816e+02 1.155859141e+04 2.076601591e+04 1.34 -2.217866560e+02 7.046130021e+03 1.583074699e+04 1.36 -1.770222186e+02 3.764082427e+03 1.121685688e+04 1.38 -1.403877440e+02 1.700061584e+03 6.956546690e+03 1.40 -1.108258471e+02 5.329852894e+02 3.826933746e+03 1.42 -8.703342891e+01 -2.643367195e+01 1.798902095e+03 1.44 -6.798839151e+01 -2.201788662e+02 6.094123944e+02 1.46 -5.278874592e+01 -2.292336138e+02 1.288249363e+01 1.48 -4.069736435e+01 -1.877094060e+02 -2.106846460e+02 1.50 -3.110924929e+01 -1.515362808e+02 -2.348884303e+02 1.52 -2.352468154e+01 -1.217306749e+02 -1.947001213e+02 1.54 -1.754539124e+01 -9.732406052e+01 -1.578337772e+02 1.56 -1.285894705e+01 -7.745496527e+01 -1.275568529e+02 1.58 -9.211961613e+00 -6.134493826e+01 -1.027606290e+02 1.60 -6.405927323e+00 -4.837805220e+01 -8.256652044e+01 1.62 -4.322987829e+00 -3.798055809e+01 -6.613848358e+01 1.64 -2.800547560e+00 -2.967438791e+01 -5.278118051e+01 1.66 -1.659973487e+00 -2.305293785e+01 -4.193663750e+01 1.68 -8.184536026e-01 -1.778700120e+01 -3.310126523e+01 1.70 -2.332193134e-01 -1.360654871e+01 -2.589778225e+01 1.72 1.353731799e-01 -1.029694831e+01 -2.001990164e+01 1.74 3.089730748e-01 -7.686274748e+00 -1.522379813e+01 1.76 3.249950110e-01 -5.589521714e+00 -1.131138269e+01 1.78 2.040513694e-01 -3.895351767e+00 -8.154606661e+00 1.80 -2.220008822e-02 -2.543675797e+00 -5.616277357e+00 1.82 -2.906009028e-01 -1.485673555e+00 -3.602874946e+00 1.84 -5.826600474e-01 -6.986935648e-01 -2.059980696e+00 1.86 -8.854931657e-01 -1.429432304e-01 -9.059271032e-01 1.88 -1.192667371e+00 2.001408629e-01 -9.060402202e-02 1.90 -1.496250262e+00 3.587062233e-01 4.344193891e-01 1.92 -1.793260256e+00 3.560490559e-01 7.026824460e-01 1.94 -2.081478394e+00 2.171095532e-01 7.578106882e-01 1.96 -2.359827212e+00 -3.614037348e-02 6.301391871e-01 1.98 -2.628003569e+00 -3.815447467e-01 3.459720104e-01 2.00 -2.886193017e+00 -8.021568173e-01 -7.120555615e-02 2.02 -3.123211964e+00 -1.237648879e+00 -5.365353158e-01 2.04 -3.329677683e+00 -1.636319512e+00 -9.696922469e-01 2.06 -3.508504233e+00 -1.997936456e+00 -1.370287449e+00 2.08 -3.662335530e+00 -2.323491092e+00 -1.738159855e+00 2.10 -3.793594876e+00 -2.614598595e+00 -2.072956254e+00 2.12 -3.904401585e+00 -2.874441085e+00 -2.377469491e+00 2.14 -3.996809988e+00 -3.104944619e+00 -2.651369689e+00 2.16 -4.072575298e+00 -3.308811619e+00 -2.896661309e+00 2.18 -4.133262272e+00 -3.488392066e+00 -3.115319158e+00 2.20 -4.180252450e+00 -3.645717117e+00 -3.309274863e+00 2.22 -4.214766729e+00 -3.782594485e+00 -3.480410285e+00 2.24 -4.237948482e+00 -3.900666197e+00 -3.630542941e+00 2.26 -4.250593530e+00 -4.001399430e+00 -3.761566565e+00 2.28 -4.253676162e+00 -4.086197695e+00 -3.875242624e+00 2.30 -4.248032202e+00 -4.156364539e+00 -3.973368903e+00 2.32 -4.233710764e+00 -4.213118350e+00 -4.057670269e+00 2.34 -4.211656902e+00 -4.257626216e+00 -4.129772602e+00 2.36 -4.182145316e+00 -4.291017731e+00 -4.191140506e+00 2.38 -4.145769123e+00 -4.314383605e+00 -4.243098428e+00 2.40 -4.103083051e+00 -4.328763447e+00 -4.286598905e+00 2.42 -4.054730682e+00 -4.335127984e+00 -4.322262294e+00 2.44 -4.001409829e+00 -4.334597877e+00 -4.350856520e+00 2.46 -3.943829697e+00 -4.327335902e+00 -4.372622759e+00 2.48 -3.882674453e+00 -4.314513779e+00 -4.387653098e+00 2.50 -3.818575278e+00 -4.296618959e+00 -4.395960999e+00 2.52 -3.752095141e+00 -4.274111310e+00 -4.397557461e+00 2.54 -3.683725748e+00 -4.247037245e+00 -4.392488670e+00 2.56 -3.613890823e+00 -4.215790106e+00 -4.380859810e+00 2.58 -3.542953806e+00 -4.180469940e+00 -4.362909127e+00 2.60 -3.471223194e+00 -4.141173934e+00 -4.338784350e+00 2.62 -3.398954219e+00 -4.098019178e+00 -4.308965770e+00 2.64 -3.326348507e+00 -4.051159178e+00 -4.273880775e+00 2.66 -3.253559731e+00 -4.000796735e+00 -4.234015234e+00 2.68 -3.180701789e+00 -3.947187655e+00 -4.189888841e+00 2.70 -3.107827697e+00 -3.890639616e+00 -4.142027415e+00 2.72 -3.035065330e+00 -3.831503783e+00 -4.090938254e+00 2.74 -2.962384501e+00 -3.770148243e+00 -4.037093644e+00 2.76 -2.889780806e+00 -3.706924456e+00 -3.980920094e+00 2.78 -2.817307977e+00 -3.642162789e+00 -3.922792343e+00 2.80 -2.744898401e+00 -3.576148376e+00 -3.863033343e+00 2.82 -2.672426123e+00 -3.509142099e+00 -3.801918648e+00 2.84 -2.600059796e+00 -3.441400160e+00 -3.739673518e+00 2.86 -2.527543855e+00 -3.373174550e+00 -3.676501928e+00 2.88 -2.454783149e+00 -3.304711021e+00 -3.612559385e+00 2.90 -2.381651432e+00 -3.236244727e+00 -3.547981108e+00 2.92 -2.307986761e+00 -3.167994955e+00 -3.482884622e+00 2.94 -2.233615186e+00 -3.100158220e+00 -3.417372385e+00 2.96 -2.158391417e+00 -3.032900757e+00 -3.351535355e+00 2.98 -2.082263621e+00 -2.966351722e+00 -3.285456335e+00 3.00 -2.005427955e+00 -2.900597918e+00 -3.219212900e+00 3.02 -1.928668994e+00 -2.835680447e+00 -3.152880625e+00 3.04 -1.853559046e+00 -2.771593327e+00 -3.086530259e+00 3.06 -1.782078428e+00 -2.708283691e+00 -3.020228836e+00 3.08 -1.715712690e+00 -2.645652891e+00 -2.954041811e+00 3.10 -1.654904692e+00 -2.583559074e+00 -2.888034626e+00 3.12 -1.599266316e+00 -2.521824677e+00 -2.822273551e+00 3.14 -1.548064028e+00 -2.460245987e+00 -2.756825749e+00 3.16 -1.500490774e+00 -2.398537037e+00 -2.691661796e+00 3.18 -1.456289754e+00 -2.336679775e+00 -2.627100324e+00 3.20 -1.414774009e+00 -2.274439528e+00 -2.563015814e+00 3.22 -1.375590254e+00 -2.211966768e+00 -2.499478130e+00 3.24 -1.338439837e+00 -2.149712037e+00 -2.436544829e+00 3.26 -1.303068583e+00 -2.088239343e+00 -2.374256595e+00 3.28 -1.269264331e+00 -2.027869470e+00 -2.312634226e+00 3.30 -1.236856046e+00 -1.968166718e+00 -2.251680526e+00 3.32 -1.205713849e+00 -1.909739095e+00 -2.191382344e+00 3.34 -1.175751108e+00 -1.851551156e+00 -2.131713755e+00 3.36 -1.146925335e+00 -1.793444505e+00 -2.072641483e+00 3.38 -1.118967701e+00 -1.735469192e+00 -2.014133136e+00 3.40 -1.092607037e+00 -1.677998413e+00 -1.956188808e+00 3.42 -1.067337901e+00 -1.621801500e+00 -1.898894826e+00 3.44 -1.043221182e+00 -1.567975044e+00 -1.842463270e+00 3.46 -1.020263220e+00 -1.517659334e+00 -1.787240897e+00 3.48 -9.984139177e-01 -1.471498176e+00 -1.733659898e+00 3.50 -9.775225319e-01 -1.429309769e+00 -1.682131040e+00 3.52 -9.576273105e-01 -1.390428373e+00 -1.632929432e+00 3.54 -9.385022993e-01 -1.354185271e+00 -1.586135094e+00 3.56 -9.200457485e-01 -1.320065809e+00 -1.541644804e+00 3.58 -9.021677286e-01 -1.287689347e+00 -1.499223093e+00 3.60 -8.847918639e-01 -1.256771234e+00 -1.458566289e+00 3.62 -8.678549499e-01 -1.227094272e+00 -1.419383142e+00 3.64 -8.513056767e-01 -1.198491941e+00 -1.380872533e+00 3.66 -8.351031048e-01 -1.170842879e+00 -1.344205577e+00 3.68 -8.192147778e-01 -1.144069651e+00 -1.308200989e+00 3.70 -8.036151275e-01 -1.118138739e+00 -1.272753707e+00 3.72 -7.882842031e-01 -1.093060446e+00 -1.237775502e+00 3.74 -7.732066636e-01 -1.068882776e+00 -1.203219389e+00 3.76 -7.583709435e-01 -1.045673763e+00 -1.169127853e+00 3.78 -7.437685633e-01 -1.023491993e+00 -1.135705585e+00 3.80 -7.293935601e-01 -1.002356936e+00 -1.103401278e+00 3.82 -7.152419996e-01 -9.822356327e-01 -1.072899709e+00 3.84 -7.013115682e-01 -9.630505890e-01 -1.044884177e+00 3.86 -6.876012024e-01 -9.446006717e-01 -1.019672972e+00 3.88 -6.741107763e-01 -9.270388977e-01 -9.971049628e-01 3.90 -6.608408205e-01 -9.100752852e-01 -9.767442166e-01 3.92 -6.477922799e-01 -8.936423593e-01 -9.581159833e-01 3.94 -6.349662903e-01 -8.776798033e-01 -9.408194387e-01 3.96 -6.223639797e-01 -8.621355800e-01 -9.245481064e-01 3.98 -6.099862955e-01 -8.469656701e-01 -9.090760656e-01 4.00 -5.978338507e-01 -8.321332931e-01 -8.942372179e-01 4.02 -5.859067844e-01 -8.176077364e-01 -8.799076465e-01 4.04 -5.742046426e-01 -8.033631097e-01 -8.659936168e-01 4.06 -5.627262763e-01 -7.893773697e-01 -8.524234449e-01 4.08 -5.514697574e-01 -7.756315601e-01 -8.391418422e-01 4.10 -5.404323076e-01 -7.621092170e-01 -8.261059280e-01 4.12 -5.296102471e-01 -7.487958932e-01 -8.132823711e-01 4.14 -5.189989594e-01 -7.356787903e-01 -8.006452784e-01 4.16 -5.085928741e-01 -7.227464632e-01 -7.881746254e-01 4.18 -4.983854638e-01 -7.099886005e-01 -7.758550681e-01 4.20 -4.883692606e-01 -6.973958375e-01 -7.636750198e-01 4.22 -4.785358898e-01 -6.849596265e-01 -7.516259385e-01 4.24 -4.688761197e-01 -6.726721356e-01 -7.397017430e-01 4.26 -4.593799304e-01 -6.605261840e-01 -7.278983499e-01 4.28 -4.500366008e-01 -6.485151982e-01 -7.162132871e-01 4.30 -4.408348113e-01 -6.366331937e-01 -7.046453705e-01 4.32 -4.317627625e-01 -6.248747780e-01 -6.931944333e-01 4.34 -4.228083111e-01 -6.132351697e-01 -6.818610863e-01 4.36 -4.139591205e-01 -6.017102378e-01 -6.706465184e-01 4.38 -4.052028214e-01 -5.902965492e-01 -6.595523137e-01 4.40 -3.965271875e-01 -5.789914330e-01 -6.485802939e-01 4.42 -3.879203124e-01 -5.677930557e-01 -6.377323770e-01 4.44 -3.793707984e-01 -5.567005037e-01 -6.270104528e-01 4.46 -3.708679373e-01 -5.457138751e-01 -6.164224048e-01 4.48 -3.624018910e-01 -5.348343749e-01 -6.059548240e-01 4.50 -3.539638567e-01 -5.240643239e-01 -5.956185827e-01 4.52 -3.455462137e-01 -5.134066410e-01 -5.854142737e-01 4.54 -3.371426422e-01 -5.028644638e-01 -5.753419863e-01 4.56 -3.287483069e-01 -4.924410946e-01 -5.654012809e-01 4.58 -3.203602219e-01 -4.821399562e-01 -5.555911675e-01 4.60 -3.119775155e-01 -4.719645434e-01 -5.459100915e-01 4.62 -3.036016267e-01 -4.619183647e-01 -5.363559245e-01 4.64 -2.952364486e-01 -4.520048810e-01 -5.269259655e-01 4.66 -2.868877491e-01 -4.422274329e-01 -5.176169421e-01 4.68 -2.785622118e-01 -4.325891664e-01 -5.084250238e-01 4.70 -2.702672305e-01 -4.230929542e-01 -4.993458405e-01 4.72 -2.620108105e-01 -4.137413123e-01 -4.903745091e-01 4.74 -2.538014551e-01 -4.045363185e-01 -4.815056648e-01 4.76 -2.456480404e-01 -3.954795313e-01 -4.727335038e-01 4.78 -2.375596767e-01 -3.865719148e-01 -4.640518335e-01 4.80 -2.295455694e-01 -3.778137673e-01 -4.554541248e-01 4.82 -2.216148778e-01 -3.692046590e-01 -4.469335779e-01 4.84 -2.137765712e-01 -3.607433815e-01 -4.384831938e-01 4.86 -2.060393042e-01 -3.524279337e-01 -4.300958493e-01 4.88 -1.984112977e-01 -3.442556356e-01 -4.217643841e-01 4.90 -1.909002281e-01 -3.362232152e-01 -4.134816865e-01 4.92 -1.835131596e-01 -3.283268533e-01 -4.052407922e-01 4.94 -1.762564766e-01 -3.205622414e-01 -3.970349765e-01 4.96 -1.691358386e-01 -3.129246495e-01 -3.888578564e-01 4.98 -1.621562013e-01 -3.054090143e-01 -3.807034882e-01 5.00 -1.553217605e-01 -2.980100313e-01 -3.725664643e-01 5.02 -1.486360884e-01 -2.907222629e-01 -3.644420029e-01 5.04 -1.421020378e-01 -2.835402492e-01 -3.563260311e-01 5.06 -1.357220126e-01 -2.764586317e-01 -3.482152555e-01 5.08 -1.294977806e-01 -2.694722727e-01 -3.401072181e-01 5.10 -1.234308559e-01 -2.625763857e-01 -3.320004403e-01 5.12 -1.175223597e-01 -2.557666613e-01 -3.238946384e-01 5.14 -1.117739360e-01 -2.490393933e-01 -3.157908544e-01 5.16 -1.061715204e-01 -2.423916027e-01 -3.076915669e-01 5.18 -1.007488628e-01 -2.358211551e-01 -2.996007876e-01 5.20 -9.548561335e-02 -2.293266797e-01 -2.915238743e-01 5.22 -9.038333224e-02 -2.229071640e-01 -2.834668471e-01 5.24 -8.544419862e-02 -2.165618421e-01 -2.754361626e-01 5.26 -8.066932277e-02 -2.102902119e-01 -2.674386607e-01 5.28 -7.605958903e-02 -2.040920225e-01 -2.594814993e-01 5.30 -7.161629326e-02 -1.979672839e-01 -2.515720886e-01 5.32 -6.734044902e-02 -1.919162353e-01 -2.437180143e-01 5.34 -6.326115735e-02 -1.859393532e-01 -2.359269555e-01 5.36 -5.932945465e-02 -1.800372970e-01 -2.282066035e-01 5.38 -5.550773215e-02 -1.742109121e-01 -2.205645737e-01 5.40 -5.185997335e-02 -1.684611876e-01 -2.130083226e-01 5.42 -4.843501505e-02 -1.627892210e-01 -2.055450735e-01 5.44 -4.527583004e-02 -1.571962295e-01 -1.981817270e-01 5.46 -4.241803500e-02 -1.515971018e-01 -1.909248110e-01 5.48 -3.986453245e-02 -1.461988990e-01 -1.837804069e-01 5.50 -3.758308056e-02 -1.408732357e-01 -1.767541114e-01 5.52 -3.557691347e-02 -1.356237822e-01 -1.698510014e-01 5.54 -3.383494871e-02 -1.304540555e-01 -1.630756022e-01 5.56 -3.233419252e-02 -1.253672857e-01 -1.564318911e-01 5.58 -3.104647907e-02 -1.203664529e-01 -1.499232845e-01 5.60 -2.994200860e-02 -1.154543893e-01 -1.435526696e-01 5.62 -2.899261330e-02 -1.106336823e-01 -1.373224276e-01 5.64 -2.759188036e-02 -1.059066690e-01 -1.312344406e-01 5.66 -2.710006909e-02 -1.012755191e-01 -1.252902304e-01 5.68 -2.662145846e-02 -9.674237787e-02 -1.194908160e-01 5.70 -2.615924821e-02 -9.230911858e-02 -1.138370307e-01 5.72 -2.571531739e-02 -8.797731598e-02 -1.083293786e-01 5.74 -2.527840128e-02 -8.374873149e-02 -1.029680508e-01 5.76 -2.483977738e-02 -7.962497441e-02 -9.775331721e-02 5.78 -2.439456438e-02 -7.560797400e-02 -9.268528715e-02 5.80 -2.394372977e-02 -7.169755960e-02 -8.776381688e-02 5.82 -2.350156370e-02 -6.789767604e-02 -8.298865896e-02 5.84 -2.308042909e-02 -6.421387304e-02 -7.836040545e-02 5.86 -2.268845052e-02 -6.064567310e-02 -7.387939785e-02 5.88 -2.233039286e-02 -5.717898380e-02 -6.954563835e-02 5.90 -2.200813671e-02 -5.382124713e-02 -6.535838470e-02 5.92 -2.171513566e-02 -5.057735681e-02 -6.131534641e-02 5.94 -2.144819446e-02 -4.741919113e-02 -5.742320835e-02 5.96 -2.120665365e-02 -4.435904547e-02 -5.370671424e-02 5.98 -2.098952211e-02 -4.143167882e-02 -5.013922055e-02 6.00 -2.079557286e-02 -3.866005431e-02 -4.663514357e-02