# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Ag3Zr # 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 2024-04-11 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 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 3.586021515e+02 nan nan 1.16 3.305224639e+02 nan nan 1.18 3.047180966e+02 nan nan 1.20 2.809881640e+02 nan nan 1.22 2.591509683e+02 nan nan 1.24 2.390422254e+02 nan nan 1.26 2.205135855e+02 nan nan 1.28 2.034307630e+02 3.117313504e+02 3.561334535e+02 1.30 1.876719508e+02 2.892946121e+02 3.310730217e+02 1.32 1.731270061e+02 2.685120187e+02 3.078334266e+02 1.34 1.596966284e+02 2.492516413e+02 2.862707341e+02 1.36 1.472910351e+02 2.313924605e+02 2.662533553e+02 1.38 1.358285748e+02 2.148242407e+02 2.476609297e+02 1.40 1.252347792e+02 1.994468111e+02 2.303834112e+02 1.42 1.154416278e+02 1.851687830e+02 2.143206264e+02 1.44 1.063866393e+02 1.719062564e+02 1.993817686e+02 1.46 9.801185206e+01 1.595820434e+02 1.854842628e+02 1.48 9.026329363e+01 1.481254783e+02 1.725521758e+02 1.50 8.309100813e+01 1.374723050e+02 1.605149690e+02 1.52 7.644918228e+01 1.275641186e+02 1.493068761e+02 1.54 7.029613102e+01 1.183473404e+02 1.388667022e+02 1.56 6.459410080e+01 1.097722758e+02 1.291378619e+02 1.58 5.930889502e+01 1.017926452e+02 1.200683369e+02 1.60 5.440959019e+01 9.436543919e+01 1.116104364e+02 1.62 4.986824288e+01 8.745076162e+01 1.037204441e+02 1.64 4.565857293e+01 8.101157918e+01 9.635822444e+01 1.66 4.175774712e+01 7.501344932e+01 8.948690240e+01 1.68 3.814699354e+01 6.942434912e+01 8.307264080e+01 1.70 3.480566895e+01 6.421465492e+01 7.708440074e+01 1.72 3.171442994e+01 5.935711290e+01 7.149363353e+01 1.74 2.885514693e+01 5.482679640e+01 6.627385265e+01 1.76 2.621073805e+01 5.060126817e+01 6.140025207e+01 1.78 2.376514479e+01 4.665943755e+01 5.684946968e+01 1.80 2.150337860e+01 4.298199417e+01 5.259978980e+01 1.82 1.941151265e+01 3.955369945e+01 4.863113832e+01 1.84 1.747665669e+01 3.635887585e+01 4.492440242e+01 1.86 1.568688098e+01 3.338181422e+01 4.146287941e+01 1.88 1.403117403e+01 3.060801244e+01 3.823262670e+01 1.90 1.249942199e+01 2.802409363e+01 3.521791239e+01 1.92 1.108239528e+01 2.561768729e+01 3.240393915e+01 1.94 9.771749052e+00 2.337729123e+01 2.977702577e+01 1.96 8.559972321e+00 2.129213452e+01 2.732459451e+01 1.98 7.440299262e+00 1.935210371e+01 2.503509663e+01 2.00 6.406589690e+00 1.754771291e+01 2.289788321e+01 2.02 5.453206422e+00 1.587007650e+01 2.090306858e+01 2.04 4.574908097e+00 1.431086791e+01 1.904144307e+01 2.06 3.766779687e+00 1.286226107e+01 1.730442256e+01 2.08 3.024167307e+00 1.151686569e+01 1.568403337e+01 2.10 2.342639675e+00 1.026768265e+01 1.417287968e+01 2.12 1.717964525e+00 9.108088741e+00 1.276411707e+01 2.14 1.146098489e+00 8.031845259e+00 1.145142294e+01 2.16 6.231869860e-01 7.033125115e+00 1.022895895e+01 2.18 1.455606031e-01 6.106524407e+00 9.091315698e+00 2.20 -2.902461488e-01 5.247061919e+00 8.033419418e+00 2.22 -6.874921756e-01 4.450148037e+00 7.050464504e+00 2.24 -1.049214236e+00 3.711554346e+00 6.137831892e+00 2.26 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-3.763766525e+00 -3.071437472e+00 -2.560879517e+00 2.64 -3.773065242e+00 -3.192805672e+00 -2.738894416e+00 2.66 -3.774890487e+00 -3.300979553e+00 -2.900198406e+00 2.68 -3.769937088e+00 -3.396807767e+00 -3.045751876e+00 2.70 -3.758892226e+00 -3.481084446e+00 -3.176454275e+00 2.72 -3.742428878e+00 -3.554546488e+00 -3.293128734e+00 2.74 -3.721196954e+00 -3.617876903e+00 -3.396439640e+00 2.76 -3.695813388e+00 -3.671711384e+00 -3.487026179e+00 2.78 -3.666850140e+00 -3.716643076e+00 -3.565553522e+00 2.80 -3.634829520e+00 -3.753235841e+00 -3.632719484e+00 2.82 -3.600411070e+00 -3.782014668e+00 -3.689253877e+00 2.84 -3.564010325e+00 -3.803477712e+00 -3.735917455e+00 2.86 -3.525665803e+00 -3.818096420e+00 -3.773491711e+00 2.88 -3.485424193e+00 -3.826318567e+00 -3.802762566e+00 2.90 -3.443338135e+00 -3.828571612e+00 -3.824499367e+00 2.92 -3.399463887e+00 -3.825266189e+00 -3.839432557e+00 2.94 -3.353874678e+00 -3.816799570e+00 -3.848233892e+00 2.96 -3.306643088e+00 -3.803558918e+00 -3.851498980e+00 2.98 -3.257855491e+00 -3.785924102e+00 -3.849756485e+00 3.00 -3.207619528e+00 -3.764269691e+00 -3.843445987e+00 3.02 -3.156059215e+00 -3.738973719e+00 -3.832944428e+00 3.04 -3.103300823e+00 -3.710486850e+00 -3.818574573e+00 3.06 -3.049472638e+00 -3.679117116e+00 -3.800619818e+00 3.08 -2.994705570e+00 -3.645123768e+00 -3.779338342e+00 3.10 -2.939133995e+00 -3.608910159e+00 -3.754975041e+00 3.12 -2.882896378e+00 -3.570695523e+00 -3.727770310e+00 3.14 -2.826135041e+00 -3.530571074e+00 -3.697965483e+00 3.16 -2.768994506e+00 -3.488630912e+00 -3.665983788e+00 3.18 -2.711618158e+00 -3.444975490e+00 -3.632082569e+00 3.20 -2.654143543e+00 -3.399707671e+00 -3.596301691e+00 3.22 -2.596697158e+00 -3.352936850e+00 -3.558710545e+00 3.24 -2.539389850e+00 -3.304775584e+00 -3.519388023e+00 3.26 -2.482313750e+00 -3.255340152e+00 -3.478419586e+00 3.28 -2.425541220e+00 -3.204756378e+00 -3.435890465e+00 3.30 -2.369125669e+00 -3.153167384e+00 -3.391883559e+00 3.32 -2.313103834e+00 -3.100723215e+00 -3.346479538e+00 3.34 -2.257498984e+00 -3.047575851e+00 -3.299758760e+00 3.36 -2.202324663e+00 -2.993874750e+00 -3.251812277e+00 3.38 -2.147588698e+00 -2.939761999e+00 -3.202739760e+00 3.40 -2.093297329e+00 -2.885367357e+00 -3.152641140e+00 3.42 -2.039455676e+00 -2.830810688e+00 -3.101617617e+00 3.44 -1.986086478e+00 -2.776194545e+00 -3.049772643e+00 3.46 -1.933209094e+00 -2.721610452e+00 -2.997212679e+00 3.48 -1.880858266e+00 -2.667139315e+00 -2.944047733e+00 3.50 -1.829079780e+00 -2.612853179e+00 -2.890388733e+00 3.52 -1.777929081e+00 -2.558816566e+00 -2.836359715e+00 3.54 -1.727468506e+00 -2.505087238e+00 -2.782077981e+00 3.56 -1.677763728e+00 -2.451716481e+00 -2.727667015e+00 3.58 -1.628880116e+00 -2.398749036e+00 -2.673251548e+00 3.60 -1.580879623e+00 -2.346222893e+00 -2.618955874e+00 3.62 -1.533818444e+00 -2.294169098e+00 -2.564901650e+00 3.64 -1.487745369e+00 -2.242611725e+00 -2.511205062e+00 3.66 -1.442700478e+00 -2.191568118e+00 -2.457973354e+00 3.68 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-1.613048762e+00 4.04 -7.692611428e-01 -1.334120175e+00 -1.572008203e+00 4.06 -7.416277829e-01 -1.296269334e+00 -1.531612711e+00 4.08 -7.147435014e-01 -1.259202890e+00 -1.491880171e+00 4.10 -6.886320701e-01 -1.222899005e+00 -1.452826992e+00 4.12 -6.633153944e-01 -1.187347902e+00 -1.414467399e+00 4.14 -6.388107674e-01 -1.152527601e+00 -1.376812958e+00 4.16 -6.151285795e-01 -1.118423153e+00 -1.339872294e+00 4.18 -5.922707575e-01 -1.085022775e+00 -1.303650988e+00 4.20 -5.702300974e-01 -1.052318589e+00 -1.268151623e+00 4.22 -5.489905280e-01 -1.020307118e+00 -1.233373947e+00 4.24 -5.285281729e-01 -9.889895386e-01 -1.199315147e+00 4.26 -5.088130544e-01 -9.583716082e-01 -1.165970202e+00 4.28 -4.898111601e-01 -9.284632373e-01 -1.133332304e+00 4.30 -4.714866398e-01 -8.992776750e-01 -1.101393336e+00 4.32 -4.538039128e-01 -8.708303205e-01 -1.070144381e+00 4.34 -4.367295179e-01 -8.431372298e-01 -1.039576238e+00 4.36 -4.202314201e-01 -8.162134378e-01 -1.009679906e+00 4.38 -4.042890930e-01 -7.900712595e-01 -9.804469905e-01 4.40 -3.888797972e-01 -7.647187463e-01 -9.518699860e-01 4.42 -3.739886470e-01 -7.401584613e-01 -9.239423673e-01 4.44 -3.596055450e-01 -7.163866903e-01 -8.966584593e-01 4.46 -3.457243718e-01 -6.933931422e-01 -8.700130625e-01 4.48 -3.323418670e-01 -6.711611228e-01 -8.440008552e-01 4.50 -3.194563219e-01 -6.496681113e-01 -8.186156344e-01 4.52 -3.070640020e-01 -6.288866274e-01 -7.938446268e-01 4.54 -2.951671515e-01 -6.087852669e-01 -7.696880500e-01 4.56 -2.837583598e-01 -5.893297907e-01 -7.461265851e-01 4.58 -2.728300375e-01 -5.704841748e-01 -7.231434294e-01 4.60 -2.623713112e-01 -5.522115590e-01 -7.007183550e-01 4.62 -2.523679716e-01 -5.344750642e-01 -6.788279861e-01 4.64 -2.428027280e-01 -5.172384692e-01 -6.574463353e-01 4.66 -2.336556987e-01 -5.004667622e-01 -6.365455328e-01 4.68 -2.249050541e-01 -4.841265885e-01 -6.160966767e-01 4.70 -2.165277048e-01 -4.681866259e-01 -5.960707412e-01 4.72 -2.084998110e-01 -4.526179130e-01 -5.764394969e-01 4.74 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-1.063995978e-01 -1.389019469e-01 5.46 -4.634517909e-02 -1.023099468e-01 -1.344160900e-01 5.48 -4.391552153e-02 -9.838792374e-02 -1.301317856e-01 5.50 -4.150776418e-02 -9.462842259e-02 -1.260327971e-01 5.52 -3.912210589e-02 -9.102713269e-02 -1.221044426e-01 5.54 -3.676045532e-02 -8.758017523e-02 -1.183318375e-01 5.56 -3.442645541e-02 -8.428376876e-02 -1.147064910e-01 5.58 -3.212543416e-02 -8.113394850e-02 -1.112156674e-01 5.60 -2.986426675e-02 -7.812632407e-02 -1.078495560e-01 5.62 -2.765114238e-02 -7.525582535e-02 -1.045992394e-01 5.64 -2.549523786e-02 -7.251708504e-02 -1.014565801e-01 5.66 -2.340631045e-02 -6.990418005e-02 -9.841411689e-02 5.68 -2.139423366e-02 -6.741064583e-02 -9.546497101e-02 5.70 -1.946835599e-02 -6.502959213e-02 -9.260276169e-02 5.72 -1.763700754e-02 -6.275383675e-02 -8.982153088e-02 5.74 -1.590777519e-02 -6.057604192e-02 -8.711567660e-02 5.76 -1.428662369e-02 -5.848884159e-02 -8.447989464e-02 5.78 -1.277763692e-02 -5.648495199e-02 -8.190912797e-02 5.80 -1.138291755e-02 -5.455726148e-02 -7.939852376e-02 5.82 -1.010260836e-02 -5.269889873e-02 -7.694339764e-02 5.84 -8.935020607e-03 -5.090328080e-02 -7.453920532e-02 5.86 -7.876846147e-03 -4.916414371e-02 -7.218152150e-02 5.88 -6.923425929e-03 -4.747555952e-02 -6.986602648e-02 5.90 -6.069046939e-03 -4.583194368e-02 -6.758850080e-02 5.92 -5.307242597e-03 -4.422805664e-02 -6.534482852e-02 5.94 -4.631076629e-03 -4.265900329e-02 -6.313100974e-02 5.96 -4.033396313e-03 -4.112023341e-02 -6.094318314e-02 5.98 -3.507046739e-03 -3.960754565e-02 -5.877765920e-02 6.00 -3.045042823e-03 -3.811709725e-02 -5.663096466e-02