# 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 = Ni3Pd # 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 5.547869217e+02 nan nan 0.88 5.025981680e+02 nan nan 0.90 4.557320375e+02 nan nan 0.92 4.135716393e+02 nan nan 0.94 3.755819621e+02 nan nan 0.96 3.413049174e+02 5.016361231e+02 5.677361906e+02 0.98 3.103346699e+02 4.587212360e+02 5.201872740e+02 1.00 2.823113846e+02 4.197657581e+02 4.769584101e+02 1.02 2.569345134e+02 3.843509883e+02 4.375914390e+02 1.04 2.339304555e+02 3.521143730e+02 4.016887602e+02 1.06 2.130518466e+02 3.227389847e+02 3.689079414e+02 1.08 1.940895852e+02 2.959387275e+02 3.389402374e+02 1.10 1.768541210e+02 2.714570315e+02 3.115206770e+02 1.12 1.611795831e+02 2.490744195e+02 2.864014644e+02 1.14 1.469162703e+02 2.285923216e+02 2.633771814e+02 1.16 1.339259601e+02 2.098404727e+02 2.422568701e+02 1.18 1.220864386e+02 1.926546751e+02 2.228667775e+02 1.20 1.112927111e+02 1.768981862e+02 2.050590143e+02 1.22 1.014451789e+02 1.624415851e+02 1.886932991e+02 1.24 9.245292925e+01 1.491736770e+02 1.736452886e+02 1.26 8.424418923e+01 1.369894424e+02 1.597994021e+02 1.28 7.674706707e+01 1.257923175e+02 1.470592288e+02 1.30 6.989624691e+01 1.154988719e+02 1.353303319e+02 1.32 6.363165329e+01 1.060338858e+02 1.245293529e+02 1.34 5.790313722e+01 9.732649453e+01 1.145763958e+02 1.36 5.266469034e+01 8.931644288e+01 1.054014457e+02 1.38 4.787323186e+01 8.194582350e+01 9.694446185e+01 1.40 4.349011999e+01 7.515899910e+01 8.914484821e+01 1.42 3.948012004e+01 6.890599943e+01 8.195239572e+01 1.44 3.581036810e+01 6.314812750e+01 7.531948401e+01 1.46 3.245357451e+01 5.784662075e+01 6.919991807e+01 1.48 2.938242490e+01 5.296378767e+01 6.355258797e+01 1.50 2.657386023e+01 4.846641842e+01 5.834137479e+01 1.52 2.400583369e+01 4.432477261e+01 5.353290761e+01 1.54 2.165824361e+01 4.051020145e+01 4.909297558e+01 1.56 1.951228944e+01 3.699638686e+01 4.499634180e+01 1.58 1.754883046e+01 3.376013206e+01 4.121641160e+01 1.60 1.575488539e+01 3.078064884e+01 3.772863435e+01 1.62 1.411625199e+01 2.803520950e+01 3.450692569e+01 1.64 1.262160391e+01 2.550858554e+01 3.153498410e+01 1.66 1.119221277e+01 2.318390049e+01 2.879381167e+01 1.68 9.899024551e+00 2.104557795e+01 2.626586711e+01 1.70 8.682528842e+00 1.907880572e+01 2.393485603e+01 1.72 7.539815404e+00 1.726822206e+01 2.178540294e+01 1.74 6.470146111e+00 1.560477412e+01 1.980457944e+01 1.76 5.470137161e+00 1.407715097e+01 1.797971842e+01 1.78 4.537229951e+00 1.265622024e+01 1.629844122e+01 1.80 3.669990658e+00 1.132563814e+01 1.475043609e+01 1.82 2.865520934e+00 1.011504259e+01 1.332493511e+01 1.84 2.120976985e+00 8.971077027e+00 1.201127575e+01 1.86 1.433517471e+00 7.892000069e+00 1.073808265e+01 1.88 8.003029118e-01 6.874510320e+00 9.585941154e+00 1.90 2.185220872e-01 5.918502923e+00 8.496795558e+00 1.92 -3.126026058e-01 5.020932916e+00 7.468984095e+00 1.94 -7.978173961e-01 4.180275712e+00 6.500723433e+00 1.96 -1.239847908e+00 3.394944324e+00 5.590107952e+00 1.98 -1.641537002e+00 2.662678758e+00 4.734473293e+00 2.00 -2.005080270e+00 1.981212660e+00 3.932678348e+00 2.02 -2.332499216e+00 1.348288190e+00 3.181820019e+00 2.04 -2.626029120e+00 7.616688846e-01 2.480657219e+00 2.06 -2.888213040e+00 2.189841075e-01 1.827242768e+00 2.08 -3.120846183e+00 -2.812467865e-01 1.219476251e+00 2.10 -3.325757675e+00 -7.410040965e-01 6.552820895e-01 2.12 -3.505010224e+00 -1.163440370e+00 1.326184021e-01 2.14 -3.659694093e+00 -1.550312687e+00 -3.496778485e-01 2.16 -3.792156079e+00 -1.903410318e+00 -7.943588998e-01 2.18 -3.903789151e+00 -2.224596812e+00 -1.203988765e+00 2.20 -3.996229424e+00 -2.515671619e+00 -1.579906609e+00 2.22 -4.070972619e+00 -2.778369107e+00 -1.923877499e+00 2.24 -4.129413045e+00 -3.014358298e+00 -2.237617440e+00 2.26 -4.172870584e+00 -3.225243085e+00 -2.522784568e+00 2.28 -4.202592707e+00 -3.412562849e+00 -2.780978320e+00 2.30 -4.219756552e+00 -3.577809263e+00 -3.013739239e+00 2.32 -4.225603441e+00 -3.722223295e+00 -3.222549106e+00 2.34 -4.221270737e+00 -3.846890645e+00 -3.408831505e+00 2.36 -4.207476512e+00 -3.953382564e+00 -3.573952644e+00 2.38 -4.185146150e+00 -4.042916008e+00 -3.719397170e+00 2.40 -4.154880722e+00 -4.116892638e+00 -3.845797872e+00 2.42 -4.118093334e+00 -4.176877098e+00 -3.955420527e+00 2.44 -4.075165490e+00 -4.223459091e+00 -4.048472469e+00 2.46 -4.026784892e+00 -4.257640102e+00 -4.126309459e+00 2.48 -3.973403949e+00 -4.280381863e+00 -4.190003309e+00 2.50 -3.914301175e+00 -4.292590991e+00 -4.240558167e+00 2.52 -3.851694499e+00 -4.296207692e+00 -4.278929831e+00 2.54 -3.786034941e+00 -4.291441574e+00 -4.306027045e+00 2.56 -3.717761888e+00 -4.278528764e+00 -4.322712791e+00 2.58 -3.648260278e+00 -4.258197892e+00 -4.329805564e+00 2.60 -3.577242212e+00 -4.231068717e+00 -4.328080646e+00 2.62 -3.504706282e+00 -4.197625245e+00 -4.318271370e+00 2.64 -3.430977526e+00 -4.158709176e+00 -4.301070451e+00 2.66 -3.356433595e+00 -4.114946246e+00 -4.277249329e+00 2.68 -3.281872858e+00 -4.066857710e+00 -4.247278921e+00 2.70 -3.206283498e+00 -4.014236865e+00 -4.211618003e+00 2.72 -3.130234093e+00 -3.957543500e+00 -4.170959318e+00 2.74 -3.054246623e+00 -3.897667965e+00 -4.125811409e+00 2.76 -2.978491985e+00 -3.835258476e+00 -4.076654617e+00 2.78 -2.903125224e+00 -3.770908900e+00 -4.024029472e+00 2.80 -2.828283632e+00 -3.704847530e+00 -3.968463428e+00 2.82 -2.754088877e+00 -3.637220055e+00 -3.910125719e+00 2.84 -2.680648299e+00 -3.568308119e+00 -3.849376194e+00 2.86 -2.608056132e+00 -3.498370240e+00 -3.786543119e+00 2.88 -2.536394658e+00 -3.427643230e+00 -3.721930701e+00 2.90 -2.465735264e+00 -3.356342901e+00 -3.655820317e+00 2.92 -2.396139404e+00 -3.284708714e+00 -3.588471784e+00 2.94 -2.327660805e+00 -3.212257176e+00 -3.520124502e+00 2.96 -2.260630576e+00 -3.140484485e+00 -3.450998634e+00 2.98 -2.194784812e+00 -3.068856012e+00 -3.381296285e+00 3.00 -2.130154568e+00 -2.997484994e+00 -3.311222849e+00 3.02 -2.066764436e+00 -2.926492917e+00 -3.240547822e+00 3.04 -2.004618707e+00 -2.855987695e+00 -3.169347431e+00 3.06 -1.943830444e+00 -2.786065688e+00 -3.098277268e+00 3.08 -1.884594049e+00 -2.716812611e+00 -3.027889465e+00 3.10 -1.826143274e+00 -2.648304399e+00 -2.957842873e+00 3.12 -1.768676586e+00 -2.580608019e+00 -2.888240322e+00 3.14 -1.712552384e+00 -2.513782195e+00 -2.819174070e+00 3.16 -1.657753980e+00 -2.447878125e+00 -2.750726615e+00 3.18 -1.604218897e+00 -2.382940167e+00 -2.682971442e+00 3.20 -1.551878130e+00 -2.319006303e+00 -2.615973722e+00 3.22 -1.500686767e+00 -2.256108605e+00 -2.549791008e+00 3.24 -1.450680473e+00 -2.194271452e+00 -2.484473806e+00 3.26 -1.401913957e+00 -2.133829595e+00 -2.420066089e+00 3.28 -1.354410787e+00 -2.074584555e+00 -2.356605837e+00 3.30 -1.308129725e+00 -2.016421626e+00 -2.294125668e+00 3.32 -1.263047618e+00 -1.959442866e+00 -2.232653485e+00 3.34 -1.219151955e+00 -1.903548267e+00 -2.172212020e+00 3.36 -1.176402749e+00 -1.848363931e+00 -2.112820029e+00 3.38 -1.134780394e+00 -1.793991303e+00 -2.054484400e+00 3.40 -1.094281914e+00 -1.740763571e+00 -1.997424864e+00 3.42 -1.054900626e+00 -1.688719374e+00 -1.942005997e+00 3.44 -1.016546772e+00 -1.637806034e+00 -1.887431740e+00 3.46 -9.792048438e-01 -1.588000828e+00 -1.833497666e+00 3.48 -9.429008905e-01 -1.539249541e+00 -1.780496658e+00 3.50 -9.076557743e-01 -1.491507223e+00 -1.728654185e+00 3.52 -8.734200029e-01 -1.444787896e+00 -1.677921427e+00 3.54 -8.399409147e-01 -1.399139932e+00 -1.628263052e+00 3.56 -8.073771171e-01 -1.354591561e+00 -1.579663037e+00 3.58 -7.758432792e-01 -1.311120931e+00 -1.532065995e+00 3.60 -7.453845562e-01 -1.268707687e+00 -1.485431810e+00 3.62 -7.160319690e-01 -1.227332433e+00 -1.439780658e+00 3.64 -6.878043004e-01 -1.186972783e+00 -1.395162466e+00 3.66 -6.608809202e-01 -1.147605363e+00 -1.351601635e+00 3.68 -6.352025555e-01 -1.109225597e+00 -1.309071794e+00 3.70 -6.103070189e-01 -1.071813402e+00 -1.267556900e+00 3.72 -5.858590552e-01 -1.035354542e+00 -1.227045732e+00 3.74 -5.616237696e-01 -9.998001961e-01 -1.187503460e+00 3.76 -5.374344540e-01 -9.651392759e-01 -1.149059815e+00 3.78 -5.132293539e-01 -9.313808372e-01 -1.111648080e+00 3.80 -4.889926219e-01 -8.984506456e-01 -1.075174994e+00 3.82 -4.647356953e-01 -8.663789677e-01 -1.039595072e+00 3.84 -4.404894368e-01 -8.350630773e-01 -1.004873249e+00 3.86 -4.162872074e-01 -8.045783405e-01 -9.709999076e-01 3.88 -3.920490547e-01 -7.750547084e-01 -9.379958589e-01 3.90 -3.679728113e-01 -7.465290339e-01 -9.058783240e-01 3.92 -3.444946588e-01 -7.190531474e-01 -8.745280179e-01 3.94 -3.245066374e-01 -6.926502103e-01 -8.438101866e-01 3.96 -3.052197659e-01 -6.671688175e-01 -8.138601075e-01 3.98 -2.866285661e-01 -6.426189972e-01 -7.848082068e-01 4.00 -2.687652523e-01 -6.188256482e-01 -7.567067117e-01 4.02 -2.516519159e-01 -5.954966558e-01 -7.295688972e-01 4.04 -2.352985780e-01 -5.724241796e-01 -7.034012107e-01 4.06 -2.197056037e-01 -5.494673256e-01 -6.782703661e-01 4.08 -2.048657179e-01 -5.265232579e-01 -6.543154068e-01 4.10 -1.907656787e-01 -5.035478264e-01 -6.311914291e-01 4.12 -1.773876635e-01 -4.805475949e-01 -6.085942102e-01 4.14 -1.647104150e-01 -4.575134779e-01 -5.863029744e-01 4.16 -1.527101816e-01 -4.347314847e-01 -5.641638299e-01 4.18 -1.413614856e-01 -4.134843341e-01 -5.420729329e-01 4.20 -1.306377472e-01 -3.924636017e-01 -5.199555346e-01 4.22 -1.205117900e-01 -3.716775893e-01 -4.978022382e-01 4.24 -1.109562449e-01 -3.512309179e-01 -4.756285774e-01 4.26 -1.019438725e-01 -3.312438506e-01 -4.534626737e-01 4.28 -9.345068335e-02 -3.118078038e-01 -4.313412962e-01 4.30 -8.574178916e-02 -2.929903256e-01 -4.092295668e-01 4.32 -7.910882834e-02 -2.748392995e-01 -3.871618829e-01 4.34 -7.284296579e-02 -2.573864882e-01 -3.653380266e-01 4.36 -6.693902519e-02 -2.406505239e-01 -3.439160854e-01 4.38 -6.137772025e-02 -2.246394075e-01 -3.230177089e-01 4.40 -5.614042467e-02 -2.093526117e-01 -3.027343641e-01 4.42 -5.120929534e-02 -1.947828374e-01 -2.831326197e-01 4.44 -4.656728397e-02 -1.809174757e-01 -2.642586003e-01 4.46 -4.219813991e-02 -1.677398308e-01 -2.461417466e-01 4.48 -3.808640097e-02 -1.552301205e-01 -2.287979587e-01 4.50 -3.421737999e-02 -1.433663095e-01 -2.122322415e-01 4.52 -3.057714582e-02 -1.321247909e-01 -1.964409135e-01 4.54 -2.715250022e-02 -1.214809418e-01 -1.814134478e-01 4.56 -2.393095353e-02 -1.114095795e-01 -1.671340096e-01 4.58 -2.090069630e-02 -1.018865211e-01 -1.535827195e-01 4.60 -1.805057100e-02 -9.313535944e-02 -1.407367000e-01 4.62 -1.537004307e-02 -8.510524578e-02 -1.285709364e-01 4.64 -1.284917134e-02 -7.751445236e-02 -1.170589768e-01 4.66 -1.047858009e-02 -7.034124319e-02 -1.061735076e-01 4.68 -8.249429692e-03 -6.356452819e-02 -9.588680910e-02 4.70 -6.153388895e-03 -5.716392813e-02 -8.617112282e-02 4.72 -4.182607906e-03 -5.111981959e-02 -7.699894265e-02 4.74 -2.319677397e-03 -4.541336249e-02 -6.834324020e-02 4.76 -1.491753663e-03 -4.002651629e-02 -6.017764057e-02 4.78 -7.273928678e-04 -3.495584622e-02 -5.249759947e-02 4.80 -3.227876399e-05 -3.025727499e-02 -4.538858558e-02 4.82 -1.909787778e-06 -2.802004176e-02 -4.203021196e-02 4.84 0.000000000e+00 -2.599291103e-02 -3.898936654e-02 4.86 0.000000000e+00 -2.407685078e-02 -3.611527616e-02 4.88 0.000000000e+00 -2.225994383e-02 -3.338991575e-02 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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 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