# 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 = Ag3Cu # 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 2.405970123e+02 nan nan 1.16 2.208263409e+02 nan nan 1.18 2.027042426e+02 nan nan 1.20 1.860844567e+02 nan nan 1.22 1.708353818e+02 nan nan 1.24 1.568378954e+02 nan nan 1.26 1.439840074e+02 nan nan 1.28 1.321752940e+02 2.074681956e+02 2.389459079e+02 1.30 1.213214517e+02 1.917508039e+02 2.213047713e+02 1.32 1.113397129e+02 1.772330095e+02 2.049882087e+02 1.34 1.021546604e+02 1.638172754e+02 1.898885629e+02 1.36 9.369789770e+01 1.514142144e+02 1.759079782e+02 1.38 8.590775897e+01 1.399424853e+02 1.629570155e+02 1.40 7.872909053e+01 1.293281157e+02 1.509534880e+02 1.42 7.211270831e+01 1.195035720e+02 1.398222660e+02 1.44 6.601431823e+01 1.104067729e+02 1.294955436e+02 1.46 6.039333998e+01 1.019802932e+02 1.199124659e+02 1.48 5.521596598e+01 9.417110853e+01 1.110178671e+02 1.50 5.044832137e+01 8.693081113e+01 1.027608894e+02 1.52 4.605700660e+01 8.021570849e+01 9.509418264e+01 1.54 4.201158777e+01 7.398635600e+01 8.797370596e+01 1.56 3.828452042e+01 6.820672669e+01 8.135874471e+01 1.58 3.485078996e+01 6.284353811e+01 7.521182506e+01 1.60 3.168747212e+01 5.786686367e+01 6.949849102e+01 1.62 2.877337227e+01 5.325220591e+01 6.418703124e+01 1.64 2.608879944e+01 4.897359931e+01 5.924839659e+01 1.66 2.361549671e+01 4.500665161e+01 5.465912550e+01 1.68 2.133670060e+01 4.132876324e+01 5.039490363e+01 1.70 1.923720925e+01 3.791893319e+01 4.643191684e+01 1.72 1.730332468e+01 3.475765346e+01 4.274831347e+01 1.74 1.552264302e+01 3.182680224e+01 3.932422023e+01 1.76 1.388378369e+01 2.910951347e+01 3.614156311e+01 1.78 1.237616648e+01 2.659008738e+01 3.318376438e+01 1.80 1.098988275e+01 2.425398906e+01 3.043546465e+01 1.82 9.715642343e+00 2.208789204e+01 2.788234040e+01 1.84 8.544760492e+00 2.007967339e+01 2.551099338e+01 1.86 7.469164291e+00 1.821830779e+01 2.330886312e+01 1.88 6.481407612e+00 1.649368368e+01 2.126414762e+01 1.90 5.574673142e+00 1.489640319e+01 1.936575631e+01 1.92 4.742740376e+00 1.341762081e+01 1.760331558e+01 1.94 3.979924520e+00 1.204895307e+01 1.596720043e+01 1.96 3.281016486e+00 1.078246588e+01 1.444853386e+01 1.98 2.641247318e+00 9.610717036e+00 1.303912560e+01 2.00 2.056270066e+00 8.526812243e+00 1.173138021e+01 2.02 1.522134068e+00 7.524435034e+00 1.051822530e+01 2.04 1.035235983e+00 6.597831951e+00 9.393082341e+00 2.06 5.922520330e-01 5.741755793e+00 8.349865531e+00 2.08 1.900669797e-01 4.951384805e+00 7.382981902e+00 2.10 -1.742856407e-01 4.222241281e+00 6.487313975e+00 2.12 -5.036635494e-01 3.550128032e+00 5.658179136e+00 2.14 -8.008331228e-01 2.931089554e+00 4.891268268e+00 2.16 -1.068465621e+00 2.361394732e+00 4.182571131e+00 2.18 -1.309117221e+00 1.837533662e+00 3.528299362e+00 2.20 -1.525200005e+00 1.356221013e+00 2.924821015e+00 2.22 -1.718951115e+00 9.143991269e-01 2.368622008e+00 2.24 -1.892406021e+00 5.092354306e-01 1.856305568e+00 2.26 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2.62 -2.847171486e+00 -2.811868789e+00 -2.632364248e+00 2.64 -2.822306349e+00 -2.850151505e+00 -2.703485638e+00 2.66 -2.793364750e+00 -2.881223636e+00 -2.765835611e+00 2.68 -2.760866010e+00 -2.905705625e+00 -2.819803964e+00 2.70 -2.725328090e+00 -2.924175299e+00 -2.865742784e+00 2.72 -2.687250818e+00 -2.937392826e+00 -2.903983113e+00 2.74 -2.647097179e+00 -2.945810828e+00 -2.934850489e+00 2.76 -2.605277794e+00 -2.949559882e+00 -2.958678185e+00 2.78 -2.562141977e+00 -2.948773215e+00 -2.975823140e+00 2.80 -2.517975933e+00 -2.943593870e+00 -2.986944842e+00 2.82 -2.473006486e+00 -2.934169562e+00 -2.992397142e+00 2.84 -2.427408117e+00 -2.920650933e+00 -2.992369898e+00 2.86 -2.381311562e+00 -2.903192644e+00 -2.987143808e+00 2.88 -2.334812954e+00 -2.881961441e+00 -2.977074458e+00 2.90 -2.287982855e+00 -2.857151279e+00 -2.962570835e+00 2.92 -2.240874720e+00 -2.828971291e+00 -2.944069005e+00 2.94 -2.193532315e+00 -2.797642138e+00 -2.922004113e+00 2.96 -2.145995743e+00 -2.763399271e+00 -2.896791128e+00 2.98 -2.098305921e+00 -2.726495602e+00 -2.868819221e+00 3.00 -2.050507495e+00 -2.687203042e+00 -2.838423017e+00 3.02 -2.002650339e+00 -2.645812149e+00 -2.805880003e+00 3.04 -1.954789910e+00 -2.602629008e+00 -2.771419604e+00 3.06 -1.906986749e+00 -2.557968657e+00 -2.735235490e+00 3.08 -1.859305471e+00 -2.512145109e+00 -2.697497851e+00 3.10 -1.811813528e+00 -2.465459079e+00 -2.658363325e+00 3.12 -1.764579952e+00 -2.418185408e+00 -2.617981430e+00 3.14 -1.717674195e+00 -2.370562583e+00 -2.576497306e+00 3.16 -1.671165093e+00 -2.322786244e+00 -2.534051353e+00 3.18 -1.625119909e+00 -2.275007607e+00 -2.490776844e+00 3.20 -1.579603409e+00 -2.227336411e+00 -2.446796776e+00 3.22 -1.534676940e+00 -2.179847169e+00 -2.402221188e+00 3.24 -1.490397500e+00 -2.132587136e+00 -2.357145757e+00 3.26 -1.446816876e+00 -2.085584571e+00 -2.311652073e+00 3.28 -1.403980877e+00 -2.038856271e+00 -2.265809444e+00 3.30 -1.361928773e+00 -1.992413824e+00 -2.219677810e+00 3.32 -1.320692964e+00 -1.946268374e+00 -2.173311196e+00 3.34 -1.280298924e+00 -1.900433913e+00 -2.126761209e+00 3.36 -1.240765404e+00 -1.854929240e+00 -2.080080193e+00 3.38 -1.202104841e+00 -1.809778760e+00 -2.033323850e+00 3.40 -1.164323948e+00 -1.765012344e+00 -1.986553240e+00 3.42 -1.127424371e+00 -1.720664460e+00 -1.939836153e+00 3.44 -1.091403377e+00 -1.676772811e+00 -1.893247849e+00 3.46 -1.056254466e+00 -1.633376698e+00 -1.846871119e+00 3.48 -1.021967892e+00 -1.590515305e+00 -1.800795583e+00 3.50 -9.885310373e-01 -1.548226079e+00 -1.755116106e+00 3.52 -9.559286436e-01 -1.506543320e+00 -1.709930290e+00 3.54 -9.241428949e-01 -1.465497059e+00 -1.665335056e+00 3.56 -8.931534027e-01 -1.425112268e+00 -1.621422643e+00 3.58 -8.629371149e-01 -1.385408413e+00 -1.578276406e+00 3.60 -8.334681979e-01 -1.346399343e+00 -1.535967000e+00 3.62 -8.047179386e-01 -1.308093490e+00 -1.494549491e+00 3.64 -7.766547076e-01 -1.270494368e+00 -1.454061764e+00 3.66 -7.492440255e-01 -1.233601341e+00 -1.414524377e+00 3.68 -7.224487724e-01 -1.197410622e+00 -1.375941733e+00 3.70 -6.962295761e-01 -1.161916461e+00 -1.338304242e+00 3.72 -6.705454170e-01 -1.127112433e+00 -1.301591100e+00 3.74 -6.453544818e-01 -1.092992746e+00 -1.265773268e+00 3.76 -6.206152916e-01 -1.059553413e+00 -1.230816359e+00 3.78 -5.962881175e-01 -1.026793150e+00 -1.196683231e+00 3.80 -5.723366701e-01 -9.947138374e-01 -1.163336159e+00 3.82 -5.487300181e-01 -9.633204377e-01 -1.130738570e+00 3.84 -5.254446443e-01 -9.326203243e-01 -1.098856315e+00 3.86 -5.024664938e-01 -9.026220713e-01 -1.067658530e+00 3.88 -4.797928182e-01 -8.733338659e-01 -1.037118109e+00 3.90 -4.574335843e-01 -8.447617771e-01 -1.007211826e+00 3.92 -4.354122041e-01 -8.169081439e-01 -9.779201819e-01 3.94 -4.137653854e-01 -7.897703237e-01 -9.492270071e-01 3.96 -3.925419640e-01 -7.633399414e-01 -9.211188906e-01 3.98 -3.718007332e-01 -7.376027101e-01 -8.935845138e-01 4.00 -3.516073830e-01 -7.125387632e-01 -8.666139343e-01 4.02 -3.320308076e-01 -6.881233951e-01 -8.401978881e-01 4.04 -3.131390994e-01 -6.643280705e-01 -8.143271553e-01 4.06 -2.949955749e-01 -6.411215771e-01 -7.889920282e-01 4.08 -2.776551414e-01 -6.184712239e-01 -7.641819079e-01 4.10 -2.611612590e-01 -5.963440243e-01 -7.398850460e-01 4.12 -2.455436830e-01 -5.747078562e-01 -7.160884409e-01 4.14 -2.308171083e-01 -5.535325500e-01 -6.927778908e-01 4.16 -2.169807758e-01 -5.327909694e-01 -6.699382039e-01 4.18 -2.040190327e-01 -5.124600321e-01 -6.475535611e-01 4.20 -1.919027609e-01 -4.925216704e-01 -6.256080253e-01 4.22 -1.805915305e-01 -4.729636850e-01 -6.040861829e-01 4.24 -1.700362304e-01 -4.537804299e-01 -5.829738987e-01 4.26 -1.601819732e-01 -4.349732485e-01 -5.622591507e-01 4.28 -1.509709987e-01 -4.165505807e-01 -5.419328956e-01 4.30 -1.423453801e-01 -3.985276705e-01 -5.219899003e-01 4.32 -1.342493725e-01 -3.809258365e-01 -5.024294526e-01 4.34 -1.266313038e-01 -3.637713052e-01 -4.832558548e-01 4.36 -1.194449554e-01 -3.470936592e-01 -4.644785966e-01 4.38 -1.126504267e-01 -3.309239974e-01 -4.461121198e-01 4.40 -1.062144940e-01 -3.152929371e-01 -4.281751138e-01 4.42 -1.001105114e-01 -3.002286089e-01 -4.106893356e-01 4.44 -9.431790279e-02 -2.857547908e-01 -3.936780099e-01 4.46 -8.882132066e-02 -2.718893148e-01 -3.771639312e-01 4.48 -8.360956055e-02 -2.586428502e-01 -3.611674489e-01 4.50 -7.867433612e-02 -2.460181323e-01 -3.457045439e-01 4.52 -7.400902831e-02 -2.340096682e-01 -3.307851975e-01 4.54 -6.960751957e-02 -2.226039102e-01 -3.164122414e-01 4.56 -6.546320940e-02 -2.117798526e-01 -3.025807339e-01 4.58 -6.156828054e-02 -2.015099720e-01 -2.892779600e-01 4.60 -5.791324986e-02 -1.917614170e-01 -2.764839486e-01 4.62 -5.448680232e-02 -1.824973398e-01 -2.641724276e-01 4.64 -5.127587326e-02 -1.736782700e-01 -2.523120823e-01 4.66 -4.826592774e-02 -1.652634471e-01 -2.408679833e-01 4.68 -4.544137036e-02 -1.572120507e-01 -2.298030672e-01 4.70 -4.278600531e-02 -1.494842923e-01 -2.190795809e-01 4.72 -4.028338444e-02 -1.420423549e-01 -2.086604341e-01 4.74 -3.791771892e-02 -1.348511853e-01 -1.985104294e-01 4.76 -3.567402096e-02 -1.278791530e-01 -1.885973612e-01 4.78 -3.353838081e-02 -1.210985938e-01 -1.788929856e-01 4.80 -3.149827283e-02 -1.144862509e-01 -1.693738643e-01 4.82 -2.954278219e-02 -1.080236347e-01 -1.600220808e-01 4.84 -2.766275809e-02 -1.016972708e-01 -1.508258170e-01 4.86 -2.585089907e-02 -9.549886268e-02 -1.417797651e-01 4.88 -2.410177376e-02 -8.942531843e-02 -1.328853400e-01 4.90 -2.241177889e-02 -8.347862822e-02 -1.241506498e-01 4.92 -2.077893860e-02 -7.766556262e-02 -1.155901824e-01 4.94 -1.920272354e-02 -7.199717235e-02 -1.072241794e-01 4.96 -1.768422625e-02 -6.648808068e-02 -9.907768532e-02 4.98 -1.622560373e-02 -6.115558298e-02 -9.117929126e-02 5.00 -1.482974357e-02 -5.601858901e-02 -8.355962826e-02 5.02 -1.349992230e-02 -5.109646431e-02 -7.624969610e-02 5.04 -1.223946158e-02 -4.640784747e-02 -6.927914395e-02 5.06 -1.105140499e-02 -4.196952880e-02 -6.267463194e-02 5.08 -9.938237448e-03 -3.779542603e-02 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-3.465292474e-03 -5.187781309e-03 5.46 -7.803168631e-04 -2.992875810e-03 -4.480556956e-03 5.48 -6.737140467e-04 -2.584143622e-03 -3.868660329e-03 5.50 -5.815782199e-04 -2.230842717e-03 -3.339741667e-03 5.52 -5.020051531e-04 -1.925687265e-03 -2.882897097e-03 5.54 -4.333220516e-04 -1.662273948e-03 -2.488541586e-03 5.56 -3.740648738e-04 -1.434996406e-03 -2.148285014e-03 5.58 -3.229563377e-04 -1.238961923e-03 -1.854802213e-03 5.60 -2.788850999e-04 -1.069912321e-03 -1.601718635e-03 5.62 -2.408864057e-04 -9.241502918e-04 -1.383499202e-03 5.64 -2.081243653e-04 -7.984718128e-04 -1.195347210e-03 5.66 -1.798759068e-04 -6.901048821e-04 -1.033112670e-03 5.68 -1.555163852e-04 -5.966545272e-04 -8.932100152e-04 5.70 -1.345067748e-04 -5.160538317e-04 -7.725447972e-04 5.72 -1.163823461e-04 -4.465206083e-04 -6.684488371e-04 5.74 -1.007427065e-04 -3.865192773e-04 -5.786231570e-04 5.76 -8.724308047e-05 -3.347274747e-04 -5.010879931e-04 5.78 -7.558670349e-05 -2.900069166e-04 -4.341391766e-04 5.80 -6.551820771e-05 -2.513780566e-04 -3.763101939e-04 5.82 -5.681788554e-05 -2.179981013e-04 -3.263392721e-04 5.84 -4.929672489e-05 -1.891419806e-04 -2.831408891e-04 5.86 -4.279212047e-05 -1.641859061e-04 -2.457811575e-04 5.88 -3.716417433e-05 -1.425931869e-04 -2.134565887e-04 5.90 -3.229250862e-05 -1.239020080e-04 -1.854757950e-04 5.92 -2.807352246e-05 -1.077149109e-04 -1.612437396e-04 5.94 -2.441803278e-05 -9.368974552e-05 -1.402481907e-04 5.96 -2.124924663e-05 -8.153189313e-05 -1.220480777e-04 5.98 -1.850101932e-05 -7.098758514e-05 -1.062634878e-04 6.00 -1.611635845e-05 -6.183816479e-05 -9.256707527e-05