# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1987--Ackland-G-J-Tichy-G-Vitek-V-Finnis-M-W--Cu # implementation = 1987--Ackland-G-J--Cu--LAMMPS--ipr1 # composition = Cu # 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 3.599252033e+02 nan 0.62 nan nan nan nan nan nan nan nan 3.233637911e+02 nan 0.64 nan nan nan nan nan nan nan nan 2.915731173e+02 nan 0.66 nan nan nan nan nan 2.254875367e+02 nan nan 2.635788156e+02 nan 0.68 nan nan nan nan nan 2.040543540e+02 nan nan 2.386980982e+02 nan 0.70 nan nan nan nan nan 1.847272630e+02 nan nan 2.164876198e+02 nan 0.72 nan nan nan nan nan 1.674268281e+02 nan nan 1.965679277e+02 nan 0.74 nan nan nan 3.627084464e+02 3.626796461e+02 1.521403293e+02 nan nan 1.788058740e+02 nan 0.76 nan 2.268987993e+02 nan 3.325655851e+02 3.324818712e+02 1.384993300e+02 2.306016105e+02 nan 1.630084922e+02 2.272860027e+02 0.78 nan 2.078045983e+02 nan 3.055323622e+02 3.054978899e+02 1.261795441e+02 2.113824352e+02 nan 1.488560477e+02 2.080619485e+02 0.80 nan 1.905967914e+02 nan 2.810988208e+02 2.811406558e+02 1.150271501e+02 1.939766251e+02 nan 1.361048397e+02 1.906871653e+02 0.82 nan 1.750267935e+02 nan 2.590110596e+02 2.591064907e+02 1.049904110e+02 1.781204668e+02 nan 1.245427958e+02 1.749648081e+02 0.84 2.387490809e+02 1.608954019e+02 2.170043525e+02 2.389956033e+02 2.390778613e+02 9.593163465e+01 1.636011085e+02 2.236108879e+02 1.140268562e+02 1.609039927e+02 0.86 2.207428886e+02 1.481052159e+02 2.003776007e+02 2.207353647e+02 2.207511919e+02 8.782766848e+01 1.504528885e+02 2.066455518e+02 1.044512363e+02 1.482997858e+02 0.88 2.043468723e+02 1.365099116e+02 1.853335135e+02 2.041298398e+02 2.040659221e+02 8.056464222e+01 1.386772644e+02 1.911184320e+02 9.573445735e+01 1.367825775e+02 0.90 1.893122198e+02 1.258655536e+02 1.717158792e+02 1.890629625e+02 1.889447158e+02 7.394681111e+01 1.280260187e+02 1.769019473e+02 8.777869329e+01 1.261179697e+02 0.92 1.754857384e+02 1.160973822e+02 1.591291898e+02 1.753426876e+02 1.752465675e+02 6.777262872e+01 1.182529082e+02 1.638414456e+02 8.052149083e+01 1.163091199e+02 0.94 1.627202818e+02 1.071327662e+02 1.473609455e+02 1.627477138e+02 1.627203615e+02 6.195260227e+01 1.092405794e+02 1.517949548e+02 7.392239779e+01 1.073391987e+02 0.96 1.509555677e+02 9.896636882e+01 1.365097158e+02 1.511123018e+02 1.511481728e+02 5.657607841e+01 1.009655623e+02 1.407227352e+02 6.796977462e+01 9.909794730e+01 0.98 1.401912221e+02 9.147454415e+01 1.265901163e+02 1.403640747e+02 1.404427823e+02 5.174926317e+01 9.333004797e+01 1.305989657e+02 6.258857387e+01 9.150268421e+01 1.00 1.303227673e+02 8.455836478e+01 1.174778553e+02 1.304690462e+02 1.305747227e+02 4.741814478e+01 8.624483886e+01 1.213443651e+02 5.765918119e+01 8.454507611e+01 1.02 1.213000850e+02 7.822175842e+01 1.091644677e+02 1.213836681e+02 1.214782947e+02 4.351149515e+01 7.968347943e+01 1.128841830e+02 5.310234614e+01 7.825936299e+01 1.04 1.130198356e+02 7.238702186e+01 1.015915476e+02 1.130078110e+02 1.130455927e+02 3.997503274e+01 7.367889581e+01 1.051056657e+02 4.887456480e+01 7.259296477e+01 1.06 1.053356327e+02 6.701373035e+01 9.460847075e+01 1.052462847e+02 1.052207556e+02 3.674742984e+01 6.825473991e+01 9.787971859e+01 4.499015008e+01 6.739406317e+01 1.08 9.821081824e+01 6.210926180e+01 8.808623462e+01 9.806663439e+01 9.799681759e+01 3.376261198e+01 6.333340526e+01 9.115164555e+01 4.142229434e+01 6.252745133e+01 1.10 9.162746622e+01 5.759453221e+01 8.201758504e+01 9.144954328e+01 9.135808691e+01 3.097335609e+01 5.879366127e+01 8.488876165e+01 3.812231337e+01 5.791191561e+01 1.12 8.547390704e+01 5.336562429e+01 7.640356395e+01 8.533082449e+01 8.524521932e+01 2.836211111e+01 5.456473445e+01 7.903969358e+01 3.506758841e+01 5.360213281e+01 1.14 7.964785575e+01 4.940900400e+01 7.119413500e+01 7.963075002e+01 7.957402230e+01 2.593552761e+01 5.062300472e+01 7.358102930e+01 3.223504748e+01 4.964378466e+01 1.16 7.419740733e+01 4.576453039e+01 6.634192449e+01 7.431270586e+01 7.429661198e+01 2.371578286e+01 4.694610587e+01 6.852760459e+01 2.959442495e+01 4.602439534e+01 1.18 6.918966553e+01 4.240541502e+01 6.175686279e+01 6.935506046e+01 6.937793305e+01 2.167255417e+01 4.351475377e+01 6.387513191e+01 2.713680776e+01 4.271624614e+01 1.20 6.458504722e+01 3.927877675e+01 5.740912296e+01 6.472661434e+01 6.477737240e+01 1.976521407e+01 4.032235715e+01 5.957343770e+01 2.484749508e+01 3.965626877e+01 1.22 6.034445545e+01 3.635078618e+01 5.338468638e+01 6.041924517e+01 6.048354453e+01 1.799803667e+01 3.739200715e+01 5.558070073e+01 2.272315761e+01 3.680162395e+01 1.24 5.639780252e+01 3.363189562e+01 4.973725909e+01 5.641789727e+01 5.649042678e+01 1.638803967e+01 3.470933558e+01 5.186977810e+01 2.076746457e+01 3.411250114e+01 1.26 5.271467909e+01 3.114622922e+01 4.642109610e+01 5.269919900e+01 5.277252389e+01 1.492253623e+01 3.222104614e+01 4.842270629e+01 1.895668198e+01 3.158644838e+01 1.28 4.927984888e+01 2.887278393e+01 4.338275040e+01 4.923332380e+01 4.929312770e+01 1.359434263e+01 2.988171207e+01 4.520363101e+01 1.727283388e+01 2.922277741e+01 1.30 4.605254932e+01 2.676591773e+01 4.057063039e+01 4.599068490e+01 4.602003988e+01 1.239272457e+01 2.766599356e+01 4.218275508e+01 1.571772457e+01 2.699296209e+01 1.32 4.302902067e+01 2.478146342e+01 3.793139942e+01 4.296205326e+01 4.294491287e+01 1.128782242e+01 2.556471454e+01 3.935719496e+01 1.429205191e+01 2.489960322e+01 1.34 4.020513796e+01 2.289676163e+01 3.542759796e+01 4.014278959e+01 4.008200646e+01 1.025422839e+01 2.357741194e+01 3.672515939e+01 1.298742451e+01 2.294381593e+01 1.36 3.754773393e+01 2.112169524e+01 3.302877168e+01 3.751551915e+01 3.743457137e+01 9.270052902e+00 2.170929146e+01 3.427005956e+01 1.178604695e+01 2.109716344e+01 1.38 3.505802396e+01 1.946897368e+01 3.074243074e+01 3.506520491e+01 3.498561229e+01 8.333456821e+00 1.995531774e+01 3.198755134e+01 1.067066111e+01 1.935997436e+01 1.40 3.275734956e+01 1.793188223e+01 2.860246176e+01 3.278235497e+01 3.271416864e+01 7.458020373e+00 1.830559678e+01 2.987280879e+01 9.632562134e+00 1.775355541e+01 1.42 3.063714796e+01 1.649075225e+01 2.661655619e+01 3.064918190e+01 3.059593873e+01 6.644843819e+00 1.675983852e+01 2.790201192e+01 8.667284419e+00 1.627723710e+01 1.44 2.866322783e+01 1.511952878e+01 2.475880215e+01 2.864897445e+01 2.861267104e+01 5.880059157e+00 1.531856814e+01 2.604208005e+01 7.771060243e+00 1.491101499e+01 1.46 2.680649708e+01 1.380402756e+01 2.301820471e+01 2.677269285e+01 2.675477933e+01 5.166788160e+00 1.398751814e+01 2.426653878e+01 6.939967972e+00 1.364493705e+01 1.48 2.504193877e+01 1.254379395e+01 2.139744359e+01 2.500214371e+01 2.500300073e+01 4.522929963e+00 1.276607994e+01 2.255403143e+01 6.163465503e+00 1.247710006e+01 1.50 2.334698327e+01 1.134100817e+01 1.989190337e+01 2.331363438e+01 2.333306447e+01 3.957427591e+00 1.163927264e+01 2.089757615e+01 5.429342020e+00 1.140318252e+01 1.52 2.170398553e+01 1.020155694e+01 1.848057007e+01 2.168990951e+01 2.172834622e+01 3.458870451e+00 1.059303656e+01 1.930463510e+01 4.729624234e+00 1.041289057e+01 1.54 2.009833201e+01 9.145379949e+00 1.714031128e+01 2.011987561e+01 2.017809185e+01 3.013207580e+00 9.617736841e+00 1.779451964e+01 4.065451205e+00 9.495175092e+00 1.56 1.854778478e+01 8.185391042e+00 1.584804379e+01 1.861286027e+01 1.868741401e+01 2.606434343e+00 8.703996230e+00 1.638817672e+01 3.447021472e+00 8.639027210e+00 1.58 1.709391356e+01 7.317531274e+00 1.458319936e+01 1.719025485e+01 1.727081227e+01 2.225175368e+00 7.842751111e+00 1.509639949e+01 2.879907828e+00 7.833786310e+00 1.60 1.576648618e+01 6.527910215e+00 1.334785040e+01 1.586877137e+01 1.594325392e+01 1.861440975e+00 7.029502093e+00 1.391050281e+01 2.362753254e+00 7.071647889e+00 1.62 1.455507206e+01 5.802719813e+00 1.215768042e+01 1.464262515e+01 1.470420057e+01 1.510871620e+00 6.263988303e+00 1.281129633e+01 1.891317243e+00 6.346361399e+00 1.64 1.344130059e+01 5.128793039e+00 1.103579714e+01 1.350284588e+01 1.354911111e+01 1.176623534e+00 5.551101801e+00 1.178283013e+01 1.458600930e+00 5.651043934e+00 1.66 1.240536252e+01 4.495232401e+00 9.996125647e+00 1.243763034e+01 1.246652566e+01 8.666870587e-01 4.894126932e+00 1.081625713e+01 1.054062140e+00 4.977649947e+00 1.68 1.143105145e+01 3.894575467e+00 9.046075724e+00 1.143728046e+01 1.144684793e+01 5.872151432e-01 4.290516198e+00 9.906409128e+00 6.703203917e-01 4.329090593e+00 1.70 1.051059912e+01 3.321308403e+00 8.175258327e+00 1.049350943e+01 1.048135802e+01 3.354601322e-01 3.732854862e+00 9.047648202e+00 3.067775599e-01 3.719449777e+00 1.72 9.643062678e+00 2.770675520e+00 7.369649492e+00 9.602536360e+00 9.566146407e+00 1.068473809e-01 3.213359520e+00 8.231741629e+00 -3.296640803e-02 3.161230179e+00 1.74 8.822903134e+00 2.238497301e+00 6.617178023e+00 8.761047578e+00 8.701677779e+00 -1.031741035e-01 2.724254251e+00 7.452984985e+00 -3.469790078e-01 2.651191438e+00 1.76 8.042201530e+00 1.724043541e+00 5.909487834e+00 7.965447503e+00 7.889630238e+00 -2.990299221e-01 2.257837012e+00 6.709998311e+00 -6.342501327e-01 2.178919412e+00 1.78 7.293048883e+00 1.229138979e+00 5.241989420e+00 7.210415263e+00 7.127963296e+00 -4.822942723e-01 1.808932024e+00 6.001897237e+00 -8.947049449e-01 1.733993517e+00 1.80 6.567559947e+00 7.607924990e-01 4.616097206e+00 6.488228642e+00 6.408901018e+00 -6.503930076e-01 1.377811630e+00 5.324735974e+00 -1.128707152e+00 1.306025558e+00 1.82 5.858741029e+00 3.252016047e-01 4.033927398e+00 5.791763620e+00 5.724786210e+00 -8.004456858e-01 9.656644039e-01 4.674517378e+00 -1.339424967e+00 8.856515818e-01 1.84 5.171300812e+00 -7.131252527e-02 3.494367454e+00 5.122904316e+00 5.074507819e+00 -9.324579203e-01 5.718364064e-01 4.054932278e+00 -1.530820601e+00 4.768950228e-01 1.86 4.518341189e+00 -4.275376986e-01 2.993980266e+00 4.489998800e+00 4.461656411e+00 -1.048511080e+00 1.928129267e-01 3.472620860e+00 -1.703698787e+00 9.338176958e-02 1.88 3.912246338e+00 -7.446409271e-01 2.529297353e+00 3.901062618e+00 3.889878898e+00 -1.150712537e+00 -1.711157081e-01 2.931996119e+00 -1.856745565e+00 -2.519555721e-01 1.90 3.354515740e+00 -1.026448734e+00 2.096810011e+00 3.356705998e+00 3.358896257e+00 -1.241180698e+00 -5.156130623e-01 2.430224866e+00 -1.989034411e+00 -5.570714169e-01 1.92 2.839521404e+00 -1.277956541e+00 1.692126827e+00 2.852162221e+00 2.864803038e+00 -1.322491015e+00 -8.370161845e-01 1.962601968e+00 -2.101849219e+00 -8.270499670e-01 1.94 2.361531763e+00 -1.503705852e+00 1.310651721e+00 2.382436620e+00 2.403341478e+00 -1.397106811e+00 -1.135171973e+00 1.524559841e+00 -2.197698228e+00 -1.067081294e+00 1.96 1.914837114e+00 -1.707704508e+00 9.490056204e-01 1.942594386e+00 1.970351659e+00 -1.466282941e+00 -1.409536686e+00 1.111552035e+00 -2.278826885e+00 -1.282335826e+00 1.98 1.493750805e+00 -1.893271808e+00 6.040161815e-01 1.527727615e+00 1.561704425e+00 -1.531070833e+00 -1.656840694e+00 7.198234652e-01 -2.347364553e+00 -1.477963063e+00 2.00 1.093241278e+00 -2.063511078e+00 2.725198560e-01 1.133422127e+00 1.173602976e+00 -1.592513652e+00 -1.874420309e+00 3.496394193e-01 -2.405322973e+00 -1.658466536e+00 2.02 7.108279900e-01 -2.220912925e+00 -4.863743660e-02 7.571795753e-01 8.035311606e-01 -1.651645511e+00 -2.063037358e+00 3.445356984e-03 -2.454580997e+00 -1.825830958e+00 2.04 3.456150986e-01 -2.367553096e+00 -3.619756820e-01 3.976928774e-01 4.497706563e-01 -1.709490669e+00 -2.227416314e+00 -3.164101732e-01 -2.496507176e+00 -1.980937921e+00 2.06 9.405579203e-04 -2.503507436e+00 -6.671911247e-01 5.683321595e-02 1.127258740e-01 -1.767062710e+00 -2.371772287e+00 -6.093802678e-01 -2.532347358e+00 -2.122551950e+00 2.08 -3.186538483e-01 -2.628252098e+00 -9.631760783e-01 -2.626222521e-01 -2.065906559e-01 -1.825363711e+00 -2.499339348e+00 -8.761024658e-01 -2.563346420e+00 -2.248835309e+00 2.10 -6.089691721e-01 -2.741394752e+00 -1.249012691e+00 -5.581571784e-01 -5.073451847e-01 -1.885383407e+00 -2.613092892e+00 -1.117824090e+00 -2.590650894e+00 -2.358112427e+00 2.12 -8.703367134e-01 -2.844291005e+00 -1.526140822e+00 -8.306904539e-01 -7.910441945e-01 -1.948003642e+00 -2.715291744e+00 -1.337294465e+00 -2.614412366e+00 -2.450862017e+00 2.14 -1.106197314e+00 -2.939493958e+00 -1.792637870e+00 -1.082254641e+00 -1.058311968e+00 -2.011539533e+00 -2.806369778e+00 -1.538094135e+00 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