# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2022--Alvi-S-M-A-A-Faiyad-A-Munshi-M-A-M-et-al--Ag # implementation = 2022--Alvi-S-M-A-A--Ag--LAMMPS--ipr1 # composition = Ag # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan nan nan nan nan nan 0.68 nan nan nan nan nan nan nan nan nan nan 0.70 nan nan nan nan nan nan nan nan nan nan 0.72 nan nan nan nan nan nan nan nan nan nan 0.74 nan nan nan nan nan nan nan nan nan nan 0.76 nan nan nan nan nan nan nan nan nan nan 0.78 nan nan nan nan nan 1.422950133e+03 nan nan nan nan 0.80 nan nan nan nan nan 1.295482538e+03 nan nan nan nan 0.82 nan nan nan nan nan 1.180929737e+03 nan nan 1.290096340e+03 nan 0.84 nan nan nan nan nan 1.077817326e+03 nan nan 1.174854506e+03 nan 0.86 nan nan nan nan nan 9.848602861e+02 nan nan 1.071237273e+03 nan 0.88 nan nan nan nan nan 9.009356464e+02 nan nan 9.779299255e+02 nan 0.90 nan 1.677833886e+03 nan nan nan 8.250595573e+02 nan nan 8.937834939e+02 1.251134039e+03 0.92 nan 1.534287690e+03 nan nan nan 7.563680042e+02 1.134456153e+03 nan 8.177915281e+02 1.147647034e+03 0.94 nan 1.404658149e+03 nan nan nan 6.941004738e+02 1.040773360e+03 nan 7.490704586e+02 1.053810715e+03 0.96 nan 1.287434927e+03 nan nan nan 6.375861228e+02 9.558085845e+02 nan 6.868429713e+02 9.686183470e+02 0.98 nan 1.181288886e+03 1.425352608e+03 nan nan 5.862320040e+02 8.786553217e+02 nan 6.304238716e+02 8.911800526e+02 1.00 nan 1.085048188e+03 1.312916481e+03 nan 1.682376705e+03 5.395130003e+02 8.085116053e+02 1.552828352e+03 5.792080155e+02 8.207077152e+02 1.02 1.552631466e+03 9.976778583e+02 1.210512056e+03 1.552639093e+03 1.552646720e+03 4.969632200e+02 7.446666687e+02 1.432173245e+03 5.326599998e+02 7.565020703e+02 1.04 1.434234389e+03 9.182622644e+02 1.117137937e+03 1.434241972e+03 1.434249555e+03 4.581685957e+02 6.864894823e+02 1.322132796e+03 4.903053073e+02 6.979416037e+02 1.06 1.326062105e+03 8.459900472e+02 1.031903357e+03 1.326069643e+03 1.326077182e+03 4.227605071e+02 6.334188819e+02 1.221662219e+03 4.517226901e+02 6.444729849e+02 1.08 1.227126494e+03 7.801411361e+02 9.540147190e+02 1.227133988e+03 1.227141482e+03 3.904102806e+02 5.849550540e+02 1.129830425e+03 4.165376041e+02 5.956028165e+02 1.10 1.136545028e+03 7.200755285e+02 8.827639198e+02 1.136552477e+03 1.136559926e+03 3.608244165e+02 5.406521572e+02 1.045806399e+03 3.844165274e+02 5.508904745e+02 1.12 1.053528345e+03 6.652235695e+02 8.175182290e+02 1.053535748e+03 1.053543152e+03 3.337404486e+02 5.001119217e+02 9.688473764e+02 3.550620355e+02 5.099418972e+02 1.14 9.773694419e+02 6.150775213e+02 7.577114893e+02 9.773768003e+02 9.773841586e+02 3.089233439e+02 4.629667949e+02 8.982885638e+02 3.282085288e+02 4.724041840e+02 1.16 9.074342389e+02 5.691725922e+02 7.028364324e+02 9.074415516e+02 9.074488643e+02 2.861623552e+02 4.286998133e+02 8.335341639e+02 3.035484280e+02 4.379608747e+02 1.18 8.431533318e+02 5.259366119e+02 6.524379749e+02 8.431605986e+02 8.431678654e+02 2.652682749e+02 3.970484581e+02 7.740495380e+02 2.801447785e+02 4.063278293e+02 1.20 7.840147745e+02 4.847869807e+02 6.061073492e+02 7.840219952e+02 7.840292158e+02 2.460710287e+02 3.678503326e+02 7.193543421e+02 2.579623382e+02 3.772496184e+02 1.22 7.295577304e+02 4.460722763e+02 5.634769118e+02 7.295649047e+02 7.295720789e+02 2.284175604e+02 3.409389639e+02 6.690165039e+02 2.371564969e+02 3.504963499e+02 1.24 6.793669027e+02 4.099650383e+02 5.240691387e+02 6.793740303e+02 6.793811579e+02 2.121699759e+02 3.161489375e+02 6.226469292e+02 2.177975085e+02 3.258608847e+02 1.26 6.330676206e+02 3.765145457e+02 4.870743218e+02 6.330747013e+02 6.330817820e+02 1.972039056e+02 2.933194444e+02 5.798948394e+02 1.998953737e+02 3.031563803e+02 1.28 5.903215015e+02 3.453780432e+02 4.524398905e+02 5.903285350e+02 5.903355685e+02 1.834070594e+02 2.722966155e+02 5.404436585e+02 1.834187171e+02 2.822141224e+02 1.30 5.508226239e+02 3.153163723e+02 4.201446848e+02 5.508296100e+02 5.508365961e+02 1.706779512e+02 2.529349647e+02 5.040073825e+02 1.683088076e+02 2.628816119e+02 1.32 5.142941321e+02 2.866484989e+02 3.901242351e+02 5.143010705e+02 5.143080090e+02 1.589247677e+02 2.350981753e+02 4.703273639e+02 1.544898770e+02 2.450208677e+02 1.34 4.804852282e+02 2.597070073e+02 3.622850007e+02 4.804921187e+02 4.804990093e+02 1.480643666e+02 2.186535208e+02 4.391694627e+02 1.418766247e+02 2.285069232e+02 1.36 4.491685050e+02 2.346735617e+02 3.365150646e+02 4.491753473e+02 4.491821897e+02 1.380213876e+02 2.031548562e+02 4.103215205e+02 1.303795950e+02 2.132264933e+02 1.38 4.201375683e+02 2.116207648e+02 3.126920794e+02 4.201443623e+02 4.201511562e+02 1.287274605e+02 1.884365453e+02 3.835462461e+02 1.199089532e+02 1.990767860e+02 1.40 3.932049253e+02 1.905440300e+02 2.906890964e+02 3.932116705e+02 3.932184158e+02 1.201205019e+02 1.745631741e+02 3.573487439e+02 1.103770659e+02 1.859644466e+02 1.42 3.681872249e+02 1.713840821e+02 2.703701865e+02 3.681939212e+02 3.682006175e+02 1.121397954e+02 1.615585251e+02 3.314722651e+02 1.016969762e+02 1.737981790e+02 1.44 3.432674408e+02 1.538405317e+02 2.505026445e+02 3.432740879e+02 3.432807350e+02 1.041800537e+02 1.488706531e+02 3.058162336e+02 9.337441272e+01 1.616698371e+02 1.46 3.177722386e+02 1.377326780e+02 2.306115896e+02 3.177788363e+02 3.177854339e+02 9.601720726e+01 1.363055530e+02 2.805102034e+02 8.520307786e+01 1.492431092e+02 1.48 2.924321538e+02 1.230420669e+02 2.111556248e+02 2.924387017e+02 2.924452496e+02 8.789513119e+01 1.241200160e+02 2.560375111e+02 7.733026219e+01 1.368836065e+02 1.50 2.677672443e+02 1.097179782e+02 1.924521923e+02 2.677737422e+02 2.677802402e+02 7.998752985e+01 1.124882625e+02 2.327241936e+02 6.985355671e+01 1.248516911e+02 1.52 2.441372953e+02 9.768888053e+01 1.747121562e+02 2.441437430e+02 2.441501907e+02 7.241467186e+01 1.015223317e+02 2.107770560e+02 6.283351192e+01 1.133275775e+02 1.54 2.217785396e+02 8.687061153e+01 1.580650412e+02 2.217849367e+02 2.217913339e+02 6.525563084e+01 9.128711674e+01 1.903126843e+02 5.630279363e+01 1.024296937e+02 1.56 2.008328543e+02 7.717241961e+01 1.425789898e+02 2.008392007e+02 2.008455471e+02 5.855801795e+01 8.181221443e+01 1.713803033e+02 5.027337033e+01 9.222928007e+01 1.58 1.813709002e+02 6.850135943e+01 1.282764828e+02 1.813771955e+02 1.813834908e+02 5.234569518e+01 7.310122777e+01 1.539797030e+02 4.474212990e+01 8.276195875e+01 1.60 1.634104013e+02 6.076542318e+01 1.151466785e+02 1.634166454e+02 1.634228894e+02 4.662486920e+01 6.513903553e+01 1.380752270e+02 3.969524981e+01 7.403687445e+01 1.62 1.469304906e+02 5.387570502e+01 1.031550240e+02 1.469366831e+02 1.469428755e+02 4.138887317e+01 5.789743021e+01 1.236066114e+02 3.511156749e+01 6.604386693e+01 1.64 1.318829160e+02 4.774783424e+01 9.225070303e+01 1.318890566e+02 1.318951972e+02 3.662190276e+01 5.133946309e+01 1.104973238e+02 3.096516283e+01 5.875907486e+01 1.66 1.182007356e+02 4.230286017e+01 8.237235893e+01 1.182068241e+02 1.182129126e+02 3.230191464e+01 4.542276261e+01 9.866091922e+01 2.722731667e+01 5.214928340e+01 1.68 1.058050020e+02 3.746772933e+01 7.345244623e+01 1.058110382e+02 1.058170743e+02 2.840285496e+01 4.010203872e+01 8.800582661e+01 2.386797629e+01 4.617526669e+01 1.70 9.460985656e+01 3.317546556e+01 6.542050261e+01 9.461584001e+01 9.462182346e+01 2.489635761e+01 3.533094880e+01 7.843890370e+01 2.085683626e+01 4.079433524e+01 1.72 8.452635956e+01 2.936513719e+01 5.820556870e+01 8.453229008e+01 8.453822060e+01 2.175302144e+01 3.106346170e+01 6.986802604e+01 1.816411801e+01 3.596225140e+01 1.74 7.546532609e+01 2.598167535e+01 5.173794154e+01 7.547120340e+01 7.547708072e+01 1.894335557e+01 2.725483095e+01 6.220392435e+01 1.576111613e+01 3.163464736e+01 1.76 6.733938121e+01 2.297559329e+01 4.595040972e+01 6.734520505e+01 6.735102889e+01 1.643846484e+01 2.386226555e+01 5.536144079e+01 1.362056514e+01 2.776805310e+01 1.78 6.006440592e+01 2.030264269e+01 4.077908694e+01 6.007017601e+01 6.007594610e+01 1.421053200e+01 2.084536790e+01 4.926033956e+01 1.171686911e+01 2.432061954e+01 1.80 5.356051279e+01 1.792343519e+01 3.616393927e+01 5.356622885e+01 5.357194491e+01 1.223314318e+01 1.816639521e+01 4.382577892e+01 1.002622806e+01 2.125260663e+01 1.82 4.775265847e+01 1.580304875e+01 3.204907842e+01 4.775832022e+01 4.776398197e+01 1.048149227e+01 1.579038723e+01 3.898852876e+01 8.526687062e+00 1.852668980e+01 1.84 4.257098184e+01 1.391063373e+01 2.838288114e+01 4.257658901e+01 4.258219617e+01 8.932493890e+00 1.368519566e+01 3.468500071e+01 7.198129073e+00 1.610812923e+01 1.86 3.795093619e+01 1.221902885e+01 2.511798034e+01 3.795648849e+01 3.796204079e+01 7.564827620e+00 1.182144196e+01 3.085714296e+01 6.022227727e+00 1.396483619e+01 1.88 3.383326792e+01 1.070439372e+01 2.221116293e+01 3.383876508e+01 3.384426223e+01 6.358931154e+00 1.017242402e+01 2.745223879e+01 4.982371863e+00 1.206736253e+01 1.90 3.016388681e+01 9.345862784e+00 1.962320419e+01 3.016932855e+01 3.017477028e+01 5.296957237e+00 8.713988855e+00 2.442264134e+01 4.063572196e+00 1.038883607e+01 1.92 2.689365889e+01 8.125222943e+00 1.731865864e+01 2.689904491e+01 2.690443094e+01 4.362704817e+00 7.424382983e+00 2.172546764e+01 3.252356719e+00 8.904857149e+00 1.94 2.397814756e+01 7.026616128e+00 1.526562428e+01 2.398347760e+01 2.398880763e+01 3.541532957e+00 6.284088896e+00 1.932227024e+01 2.536660453e+00 7.593369431e+00 1.96 2.137732429e+01 6.036267184e+00 1.343549364e+01 2.138259805e+01 2.138787181e+01 2.820264564e+00 5.275645889e+00 1.717869992e+01 1.905713659e+00 6.434515383e+00 1.98 1.905526132e+01 5.142227853e+00 1.180269938e+01 1.906047852e+01 1.906569572e+01 2.187084150e+00 4.383474274e+00 1.526416900e+01 1.349914600e+00 5.410482818e+00 2.00 1.697981911e+01 4.334076068e+00 1.034446234e+01 1.698497946e+01 1.699013982e+01 1.631433816e+00 3.593715426e+00 1.355152297e+01 8.606747754e-01 4.505348772e+00 2.02 1.512233677e+01 3.602667400e+00 9.040546925e+00 1.512744000e+01 1.513254322e+01 1.143910230e+00 2.894078337e+00 1.201672530e+01 4.303158836e-01 3.704924883e+00 2.04 1.345733004e+01 2.939984638e+00 7.873026366e+00 1.346237584e+01 1.346742165e+01 7.161641023e-01 2.273692944e+00 1.063855825e+01 5.199137385e-02 2.996606514e+00 2.06 1.196220236e+01 2.339007823e+00 6.826060977e+00 1.196719045e+01 1.197217855e+01 3.408040525e-01 1.722972019e+00 9.398342328e+00 -2.803882067e-01 2.369228463e+00 2.08 1.061697124e+01 1.793597027e+00 5.885690401e+00 1.062190133e+01 1.062683143e+01 1.130553834e-02 1.233482087e+00 8.279675307e+00 -5.722259157e-01 1.812928276e+00 2.10 9.404011035e+00 1.298386986e+00 5.039636383e+00 9.408882838e+00 9.413754641e+00 -2.780747413e-01 7.978235650e-01 7.268190963e+00 -8.283048708e-01 1.319017770e+00 2.12 8.307814083e+00 8.486927999e-01 4.277095538e+00 8.312627304e+00 8.317440525e+00 -5.323783188e-01 4.095205290e-01 6.351337693e+00 -1.052849976e+00 8.798637426e-01 2.14 7.314769598e+00 4.404256880e-01 3.588560300e+00 7.319523943e+00 7.324278289e+00 -7.560185285e-01 6.291961023e-02 5.518176228e+00 -1.249585096e+00 4.887775429e-01 2.16 6.412960322e+00 7.001669390e-02 2.965679761e+00 6.417655498e+00 6.422350674e+00 -9.528481535e-01 -2.469022042e-01 4.759195745e+00 -1.421785663e+00 1.399135258e-01 2.18 5.591976934e+00 -2.656861461e-01 2.401134324e+00 5.596612646e+00 5.601248357e+00 -1.126221163e+00 -5.242211427e-01 4.066147547e+00 -1.572326747e+00 -1.718236248e-01 2.20 4.842748725e+00 -5.695368871e-01 1.888521289e+00 4.847324677e+00 4.851900628e+00 -1.279049027e+00 -7.727423305e-01 3.431894905e+00 -1.703726948e+00 -4.508634394e-01 2.22 4.157390199e+00 -8.441347585e-01 1.422251152e+00 4.161906093e+00 4.166421987e+00 -1.413851734e+00 -9.956679376e-01 2.850278161e+00 -1.818188210e+00 -7.010462508e-01 2.24 3.529062611e+00 -1.091847729e+00 9.974539297e-01 3.533518150e+00 3.537973688e+00 -1.532803822e+00 -1.195758343e+00 2.315993945e+00 -1.917631817e+00 -9.256923135e-01 2.26 2.951849041e+00 -1.314833985e+00 6.098945952e-01 2.956243925e+00 2.960638810e+00 -1.637775913e+00 -1.375386995e+00 1.824487186e+00 -2.003730911e+00 -1.127664162e+00 2.28 2.420642432e+00 -1.515061455e+00 2.558972211e-01 2.424976362e+00 2.429310292e+00 -1.730371925e+00 -1.536590235e+00 1.371854945e+00 -2.077939691e+00 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