# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu3Pd # 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 3.343296743e+02 nan nan 0.88 3.053242738e+02 nan nan 0.90 2.792554082e+02 nan nan 0.92 2.557601638e+02 nan nan 0.94 2.345149026e+02 nan nan 0.96 2.152493810e+02 3.046543665e+02 3.409116145e+02 0.98 1.977441151e+02 2.809310013e+02 3.147500768e+02 1.00 1.817966443e+02 2.593540609e+02 2.909532054e+02 1.02 1.672419690e+02 2.396705020e+02 2.692469940e+02 1.04 1.539264584e+02 2.216762514e+02 2.493946794e+02 1.06 1.417353231e+02 2.051821689e+02 2.311946791e+02 1.08 1.305496686e+02 1.900372424e+02 2.144708135e+02 1.10 1.202741503e+02 1.761076997e+02 1.990715743e+02 1.12 1.108263214e+02 1.632713281e+02 1.848686682e+02 1.14 1.021292854e+02 1.514155502e+02 1.717477592e+02 1.16 9.412052159e+01 1.404536640e+02 1.596043195e+02 1.18 8.673961517e+01 1.303108813e+02 1.483542748e+02 1.20 7.992931947e+01 1.209156910e+02 1.379235953e+02 1.22 7.363939086e+01 1.121967688e+02 1.282370636e+02 1.24 6.783104357e+01 1.041086474e+02 1.192389985e+02 1.26 6.246364006e+01 9.659904077e+01 1.108739139e+02 1.28 5.749738220e+01 8.962334673e+01 1.030934265e+02 1.30 5.290553373e+01 8.313733465e+01 9.584566385e+01 1.32 4.865980474e+01 7.710220858e+01 8.909784300e+01 1.34 4.473301951e+01 7.148784545e+01 8.281291195e+01 1.36 4.109626966e+01 6.626332586e+01 7.695688623e+01 1.38 3.772802139e+01 6.139784996e+01 7.149427147e+01 1.40 3.461105179e+01 5.686878525e+01 6.639523432e+01 1.42 3.172736749e+01 5.265193184e+01 6.164122573e+01 1.44 2.905862236e+01 4.872391944e+01 5.720558490e+01 1.46 2.658879270e+01 4.506174559e+01 5.306709589e+01 1.48 2.430054147e+01 4.164964587e+01 4.920628043e+01 1.50 2.218411461e+01 3.847330447e+01 4.560321658e+01 1.52 2.022711928e+01 3.551602083e+01 4.224090878e+01 1.54 1.841470059e+01 3.276129718e+01 3.910495796e+01 1.56 1.674347498e+01 3.019659092e+01 3.618015225e+01 1.58 1.520109621e+01 2.780930267e+01 3.344949681e+01 1.60 1.372958117e+01 2.558818887e+01 3.090220779e+01 1.62 1.238651854e+01 2.352201220e+01 2.852673256e+01 1.64 1.111949000e+01 2.160026605e+01 2.631230546e+01 1.66 9.925801547e+00 1.981141116e+01 2.424619108e+01 1.68 8.802772936e+00 1.814358886e+01 2.231886180e+01 1.70 7.748466460e+00 1.659754511e+01 2.052320085e+01 1.72 6.760240328e+00 1.514489952e+01 1.885066007e+01 1.74 5.835529753e+00 1.380361346e+01 1.729034135e+01 1.76 4.970842773e+00 1.251652675e+01 1.584159196e+01 1.78 4.164069027e+00 1.132651046e+01 1.449381372e+01 1.80 3.413528789e+00 1.020194881e+01 1.318573856e+01 1.82 2.715547653e+00 9.140422314e+00 1.198946022e+01 1.84 2.068255057e+00 8.139440655e+00 1.085691574e+01 1.86 1.469383472e+00 7.196659876e+00 9.785571820e+00 1.88 9.169063695e-01 6.309789331e+00 8.770972300e+00 1.90 4.083477112e-01 5.476597948e+00 7.810960207e+00 1.92 -5.858016006e-02 4.694785318e+00 6.906076414e+00 1.94 -4.861842292e-01 3.960815196e+00 6.054218263e+00 1.96 -8.767018635e-01 3.274644741e+00 5.253335187e+00 1.98 -1.232618821e+00 2.632900631e+00 4.501419306e+00 2.00 -1.553630871e+00 2.034330031e+00 3.796501122e+00 2.02 -1.843830441e+00 1.477648981e+00 3.135959748e+00 2.04 -2.105321330e+00 9.608698556e-01 2.517763016e+00 2.06 -2.339911188e+00 4.819136757e-01 1.940997027e+00 2.08 -2.549330153e+00 3.882293210e-02 1.403804242e+00 2.10 -2.735230631e+00 -3.700016954e-01 9.043332607e-01 2.12 -2.899445681e+00 -7.465996632e-01 4.407754095e-01 2.14 -3.043297966e+00 -1.092522836e+00 1.136761647e-02 2.16 -3.168077456e+00 -1.409441606e+00 -3.856046080e-01 2.18 -3.275922922e+00 -1.697479924e+00 -7.518720092e-01 2.20 -3.367356792e+00 -1.959419144e+00 -1.088994172e+00 2.22 -3.442970323e+00 -2.197144686e+00 -1.399092300e+00 2.24 -3.504790584e+00 -2.412071375e+00 -1.682286706e+00 2.26 -3.553647479e+00 -2.605556590e+00 -1.940795228e+00 2.28 -3.590562325e+00 -2.778900496e+00 -2.176145752e+00 2.30 -3.616493155e+00 -2.933368351e+00 -2.389655484e+00 2.32 -3.632468149e+00 -3.069947225e+00 -2.582589085e+00 2.34 -3.639426604e+00 -3.189863528e+00 -2.756158949e+00 2.36 -3.637915612e+00 -3.294282340e+00 -2.911525784e+00 2.38 -3.628658925e+00 -3.384232435e+00 -3.049808182e+00 2.40 -3.612132603e+00 -3.460700569e+00 -3.172023593e+00 2.42 -3.589248059e+00 -3.523729219e+00 -3.279188293e+00 2.44 -3.560629565e+00 -3.574977853e+00 -3.372271080e+00 2.46 -3.526850389e+00 -3.615456144e+00 -3.452193796e+00 2.48 -3.488592484e+00 -3.646132833e+00 -3.519665228e+00 2.50 -3.446660241e+00 -3.668142163e+00 -3.575864698e+00 2.52 -3.401019634e+00 -3.681566135e+00 -3.621395617e+00 2.54 -3.352112095e+00 -3.687079255e+00 -3.657020312e+00 2.56 -3.298822014e+00 -3.685309816e+00 -3.683449130e+00 2.58 -3.242128369e+00 -3.676807435e+00 -3.701354888e+00 2.60 -3.183419720e+00 -3.663973701e+00 -3.711374326e+00 2.62 -3.123001941e+00 -3.645902793e+00 -3.714109545e+00 2.64 -3.061136001e+00 -3.622623812e+00 -3.710129496e+00 2.66 -2.999522145e+00 -3.594664319e+00 -3.700101885e+00 2.68 -2.937491668e+00 -3.562458845e+00 -3.684314629e+00 2.70 -2.874651978e+00 -3.526361148e+00 -3.663277767e+00 2.72 -2.811212917e+00 -3.486759417e+00 -3.637495065e+00 2.74 -2.747179123e+00 -3.444016925e+00 -3.607389879e+00 2.76 -2.682897479e+00 -3.398479689e+00 -3.573359727e+00 2.78 -2.618739062e+00 -3.350147505e+00 -3.535777820e+00 2.80 -2.554661623e+00 -3.297987533e+00 -3.494994212e+00 2.82 -2.490791145e+00 -3.244024245e+00 -3.451336916e+00 2.84 -2.427244841e+00 -3.188491555e+00 -3.405120768e+00 2.86 -2.364128406e+00 -3.131623775e+00 -3.356323344e+00 2.88 -2.301536844e+00 -3.073636058e+00 -3.306249711e+00 2.90 -2.239555233e+00 -3.014727775e+00 -3.254479241e+00 2.92 -2.178259447e+00 -2.955083383e+00 -3.201169505e+00 2.94 -2.117717998e+00 -2.894873288e+00 -3.146535377e+00 2.96 -2.058239409e+00 -2.834250429e+00 -3.090776950e+00 2.98 -1.999611304e+00 -2.773333208e+00 -3.034080304e+00 3.00 -1.941880269e+00 -2.711662101e+00 -2.976618290e+00 3.02 -1.885086575e+00 -2.649933943e+00 -2.918551206e+00 3.04 -1.829264905e+00 -2.588931440e+00 -2.860022060e+00 3.06 -1.774441335e+00 -2.528918943e+00 -2.801215526e+00 3.08 -1.720941459e+00 -2.469173066e+00 -2.742069705e+00 3.10 -1.668490732e+00 -2.409790013e+00 -2.682639343e+00 3.12 -1.617006528e+00 -2.350847602e+00 -2.623262204e+00 3.14 -1.566426586e+00 -2.292416122e+00 -2.564032583e+00 3.16 -1.516571067e+00 -2.234558852e+00 -2.505041571e+00 3.18 -1.467470359e+00 -2.177332531e+00 -2.446371120e+00 3.20 -1.419437698e+00 -2.120787823e+00 -2.388095813e+00 3.22 -1.372578170e+00 -2.064969784e+00 -2.330283340e+00 3.24 -1.326834722e+00 -2.009915864e+00 -2.272994947e+00 3.26 -1.282178272e+00 -1.955954229e+00 -2.216285875e+00 3.28 -1.238612094e+00 -1.902912554e+00 -2.160205780e+00 3.30 -1.196131347e+00 -1.850707282e+00 -2.104799034e+00 3.32 -1.154677672e+00 -1.799360502e+00 -2.050105086e+00 3.34 -1.114197389e+00 -1.748891521e+00 -1.996158898e+00 3.36 -1.074684266e+00 -1.699347112e+00 -1.942991380e+00 3.38 -1.036172738e+00 -1.650685430e+00 -1.890629189e+00 3.40 -9.986948587e-01 -1.602847530e+00 -1.839095464e+00 3.42 -9.622546379e-01 -1.555742233e+00 -1.788405849e+00 3.44 -9.268183898e-01 -1.509233025e+00 -1.738589743e+00 3.46 -8.923600691e-01 -1.463462516e+00 -1.689673979e+00 3.48 -8.588643949e-01 -1.418675101e+00 -1.641588043e+00 3.50 -8.263176010e-01 -1.374903021e+00 -1.594312487e+00 3.52 -7.946880084e-01 -1.332099775e+00 -1.548457640e+00 3.54 -7.639521131e-01 -1.290244042e+00 -1.503194214e+00 3.56 -7.341041449e-01 -1.249336935e+00 -1.458695360e+00 3.58 -7.051371488e-01 -1.209378702e+00 -1.415152532e+00 3.60 -6.770180393e-01 -1.170337902e+00 -1.372556251e+00 3.62 -6.496585773e-01 -1.132164787e+00 -1.330868648e+00 3.64 -6.230207180e-01 -1.094827685e+00 -1.290076642e+00 3.66 -5.971735762e-01 -1.058336509e+00 -1.250181009e+00 3.68 -5.721672815e-01 -1.022720603e+00 -1.211183036e+00 3.70 -5.480360685e-01 -9.880046965e-01 -1.173054255e+00 3.72 -5.248137633e-01 -9.541845647e-01 -1.135747962e+00 3.74 -5.025185960e-01 -9.212289522e-01 -1.099233394e+00 3.76 -4.812091547e-01 -8.891212292e-01 -1.063651592e+00 3.78 -4.607507954e-01 -8.578497256e-01 -1.028972566e+00 3.80 -4.409180120e-01 -8.274029460e-01 -9.951358161e-01 3.82 -4.215445566e-01 -7.977489860e-01 -9.621446649e-01 3.84 -4.025116504e-01 -7.688724349e-01 -9.299708420e-01 3.86 -3.837381891e-01 -7.407688392e-01 -8.985981806e-01 3.88 -3.651726414e-01 -7.134344117e-01 -8.680161719e-01 3.90 -3.467863721e-01 -6.868569598e-01 -8.382161135e-01 3.92 -3.285639318e-01 -6.609581334e-01 -8.091752641e-01 3.94 -3.104910042e-01 -6.356695023e-01 -7.808710218e-01 3.96 -2.925934913e-01 -6.110500532e-01 -7.532995346e-01 3.98 -2.748370198e-01 -5.871473928e-01 -7.264576971e-01 4.00 -2.573308965e-01 -5.639959276e-01 -7.003419366e-01 4.02 -2.401968361e-01 -5.416189426e-01 -6.749177995e-01 4.04 -2.235135950e-01 -5.200377544e-01 -6.500783766e-01 4.06 -2.099889499e-01 -4.992973104e-01 -6.258468115e-01 4.08 -1.971602113e-01 -4.794432020e-01 -6.022737982e-01 4.10 -1.848464989e-01 -4.602890247e-01 -5.793971769e-01 4.12 -1.730448477e-01 -4.416573669e-01 -5.572438756e-01 4.14 -1.617554853e-01 -4.234153484e-01 -5.358315918e-01 4.16 -1.509740633e-01 -4.054662707e-01 -5.151843228e-01 4.18 -1.406926075e-01 -3.877425943e-01 -4.953593038e-01 4.20 -1.309003129e-01 -3.702000489e-01 -4.763451683e-01 4.22 -1.215842072e-01 -3.528127154e-01 -4.579535040e-01 4.24 -1.127297029e-01 -3.355689352e-01 -4.400339281e-01 4.26 -1.043210527e-01 -3.184619124e-01 -4.224736002e-01 4.28 -9.634172720e-02 -3.014177062e-01 -4.051902968e-01 4.30 -8.877472118e-02 -2.857881859e-01 -3.881265491e-01 4.32 -8.160280491e-02 -2.708947672e-01 -3.712447145e-01 4.34 -7.480872617e-02 -2.562459580e-01 -3.545228407e-01 4.36 -6.837537196e-02 -2.419254245e-01 -3.379512113e-01 4.38 -6.228589655e-02 -2.279868036e-01 -3.215270317e-01 4.40 -5.652349195e-02 -2.144702713e-01 -3.052417405e-01 4.42 -5.102274512e-02 -2.014047916e-01 -2.890795288e-01 4.44 -4.670303372e-02 -1.888100102e-01 -2.730614111e-01 4.46 -4.305409067e-02 -1.766978682e-01 -2.572937038e-01 4.48 -3.958571108e-02 -1.650739776e-01 -2.418608805e-01 4.50 -3.630287543e-02 -1.539387892e-01 -2.268281772e-01 4.52 -3.319634056e-02 -1.432885826e-01 -2.122447201e-01 4.54 -3.025712087e-02 -1.331163028e-01 -1.981461992e-01 4.56 -2.747660726e-02 -1.234122645e-01 -1.845571496e-01 4.58 -2.484656661e-02 -1.141655073e-01 -1.714928990e-01 4.60 -2.235913684e-02 -1.055208577e-01 -1.589612183e-01 4.62 -2.000682036e-02 -9.744883498e-02 -1.469637234e-01 4.64 -1.778247548e-02 -8.977078978e-02 -1.354970633e-01 4.66 -1.567930640e-02 -8.247186834e-02 -1.245539211e-01 4.68 -1.369085221e-02 -7.553701125e-02 -1.141238575e-01 4.70 -1.181097500e-02 -6.895111803e-02 -1.041940177e-01 4.72 -1.003384765e-02 -6.269918076e-02 -9.474972271e-02 4.74 -8.347641105e-03 -5.676639200e-02 -8.577496311e-02 4.76 -7.334650364e-03 -5.113822795e-02 -7.725280418e-02 4.78 -6.380286950e-03 -4.580051474e-02 -6.916572272e-02 4.80 -5.474380270e-03 -4.073947853e-02 -6.149588208e-02 4.82 -4.614525392e-03 -3.594178237e-02 -5.422535565e-02 4.84 -3.798433472e-03 -3.139455217e-02 -4.733630681e-02 4.86 -3.023926353e-03 -2.708539316e-02 -4.081113179e-02 4.88 -2.288931700e-03 -2.300240048e-02 -3.463257375e-02 4.90 -1.591477896e-03 -1.913416171e-02 -2.878380856e-02 4.92 -9.294965673e-04 -1.546898389e-02 -2.324734333e-02 4.94 -2.834578636e-04 -1.192556030e-02 -1.790032916e-02 4.96 1.376070880e-05 -9.828490594e-03 -1.474220899e-02 4.98 9.123641707e-08 -9.019635276e-03 -1.352944969e-02 5.00 0.000000000e+00 -8.201435931e-03 -1.230215390e-02 5.02 0.000000000e+00 -7.425446850e-03 -1.113817028e-02 5.04 0.000000000e+00 -6.689885673e-03 -1.003482851e-02 5.06 0.000000000e+00 -5.992709952e-03 -8.989064928e-03 5.08 0.000000000e+00 -5.331976405e-03 -7.997964608e-03 5.10 0.000000000e+00 -4.705836487e-03 -7.058754731e-03 5.12 0.000000000e+00 -4.112532090e-03 -6.168798135e-03 5.14 0.000000000e+00 -3.550391405e-03 -5.325587108e-03 5.16 0.000000000e+00 -3.017824930e-03 -4.526737395e-03 5.18 0.000000000e+00 -2.513321634e-03 -3.769982451e-03 5.20 0.000000000e+00 -2.035445271e-03 -3.053167907e-03 5.22 0.000000000e+00 -1.582830835e-03 -2.374246253e-03 5.24 0.000000000e+00 -1.154181174e-03 -1.731271761e-03 5.26 0.000000000e+00 -7.482637460e-04 -1.122395619e-03 5.28 0.000000000e+00 -3.641434094e-04 -5.462151140e-04 5.30 0.000000000e+00 -5.688794455e-16 -6.596974428e-16 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 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 0.000000000e+00 0.000000000e+00