# 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 = FeNi3 # 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 1.423036003e+02 nan nan 1.16 1.287952023e+02 nan nan 1.18 1.165281880e+02 nan nan 1.20 1.053844125e+02 nan nan 1.22 9.525712153e+01 nan nan 1.24 8.604798355e+01 nan nan 1.26 7.766824819e+01 nan nan 1.28 7.004075400e+01 1.194646896e+02 1.408316588e+02 1.30 6.309858274e+01 1.089341926e+02 1.287862840e+02 1.32 5.678143348e+01 9.928407948e+01 1.177241206e+02 1.34 5.103328509e+01 9.042967917e+01 1.075647990e+02 1.36 4.580247391e+01 8.229844509e+01 9.823548374e+01 1.38 4.104258296e+01 7.482985997e+01 8.966893566e+01 1.40 3.671231724e+01 6.797231995e+01 8.180292611e+01 1.42 3.277419505e+01 6.167992146e+01 7.457993336e+01 1.44 2.919312313e+01 5.591042377e+01 6.794667532e+01 1.46 2.593577815e+01 5.062404830e+01 6.185372706e+01 1.48 2.297098392e+01 4.578276743e+01 5.625519626e+01 1.50 2.027100656e+01 4.135014008e+01 5.110849568e+01 1.52 1.781211764e+01 3.729177837e+01 4.637465429e+01 1.54 1.557427636e+01 3.357605434e+01 4.201906080e+01 1.56 1.354014761e+01 3.017431847e+01 3.801174272e+01 1.58 1.169395571e+01 2.706044941e+01 3.432668716e+01 1.60 1.002064658e+01 2.421027603e+01 3.094066849e+01 1.62 8.505525113e+00 2.160156271e+01 2.783222830e+01 1.64 7.134279249e+00 1.921433105e+01 2.498095182e+01 1.66 5.893250054e+00 1.703070976e+01 2.236696643e+01 1.68 4.769842229e+00 1.503450613e+01 1.997087727e+01 1.70 3.752907770e+00 1.321063824e+01 1.777377364e+01 1.72 2.832886892e+00 1.154468125e+01 1.575780339e+01 1.74 2.001628179e+00 1.002269290e+01 1.390698251e+01 1.76 1.252017105e+00 8.631363791e+00 1.220764403e+01 1.78 5.776094350e-01 7.358397522e+00 1.064822634e+01 1.80 -2.761533649e-02 6.192910533e+00 9.218620206e+00 1.82 -5.693698867e-01 5.125645481e+00 7.909510298e+00 1.84 -1.053087695e+00 4.148898594e+00 6.711985193e+00 1.86 -1.483917423e+00 3.256191839e+00 5.617442604e+00 1.88 -1.866722540e+00 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-3.521317848e+00 -4.229026906e+00 -4.328419517e+00 2.62 -3.446131808e+00 -4.189423215e+00 -4.302271549e+00 2.64 -3.368971388e+00 -4.144748149e+00 -4.272446027e+00 2.66 -3.289987086e+00 -4.095146344e+00 -4.239330932e+00 2.68 -3.209344597e+00 -4.040782554e+00 -4.203239700e+00 2.70 -3.127220884e+00 -3.981919138e+00 -4.164393229e+00 2.72 -3.043799759e+00 -3.918916530e+00 -4.122850753e+00 2.74 -2.959268500e+00 -3.852223640e+00 -4.078555660e+00 2.76 -2.873816521e+00 -3.782356101e+00 -4.031456980e+00 2.78 -2.787636589e+00 -3.709863156e+00 -3.981523459e+00 2.80 -2.700928494e+00 -3.635289179e+00 -3.928748865e+00 2.82 -2.613904559e+00 -3.559138753e+00 -3.873153889e+00 2.84 -2.526795895e+00 -3.481852810e+00 -3.814785510e+00 2.86 -2.439857983e+00 -3.403798779e+00 -3.753714847e+00 2.88 -2.353373922e+00 -3.325272667e+00 -3.690034216e+00 2.90 -2.267653852e+00 -3.246508261e+00 -3.623853805e+00 2.92 -2.183029497e+00 -3.167688559e+00 -3.555298160e+00 2.94 -2.099843620e+00 -3.088956303e+00 -3.484502659e+00 2.96 -2.018435256e+00 -3.010422405e+00 -3.411610189e+00 2.98 -1.939122586e+00 -2.932172459e+00 -3.336768422e+00 3.00 -1.862185986e+00 -2.854272004e+00 -3.260128134e+00 3.02 -1.787853813e+00 -2.776771271e+00 -3.181843120e+00 3.04 -1.716292959e+00 -2.699709842e+00 -3.102072074e+00 3.06 -1.647605166e+00 -2.623121399e+00 -3.020982598e+00 3.08 -1.581828981e+00 -2.547038560e+00 -2.938757013e+00 3.10 -1.518946324e+00 -2.471497624e+00 -2.855599138e+00 3.12 -1.458892061e+00 -2.396543048e+00 -2.771740596e+00 3.14 -1.401564926e+00 -2.322231378e+00 -2.687444916e+00 3.16 -1.346838323e+00 -2.248634380e+00 -2.603007777e+00 3.18 -1.294569984e+00 -2.175841094e+00 -2.518752442e+00 3.20 -1.244609896e+00 -2.103958516e+00 -2.435020579e+00 3.22 -1.196806311e+00 -2.033110680e+00 -2.352159865e+00 3.24 -1.151009917e+00 -1.963435982e+00 -2.270510521e+00 3.26 -1.107076438e+00 -1.895082725e+00 -2.190392878e+00 3.28 -1.064867971e+00 -1.828203090e+00 -2.112097346e+00 3.30 -1.024253405e+00 -1.762945977e+00 -2.035877188e+00 3.32 -9.851082252e-01 -1.699449361e+00 -1.961943779e+00 3.34 -9.473139645e-01 -1.637832955e+00 -1.890463770e+00 3.36 -9.107575362e-01 -1.578191958e+00 -1.821557759e+00 3.38 -8.753306449e-01 -1.520592539e+00 -1.755300332e+00 3.40 -8.409294530e-01 -1.465069444e+00 -1.691721579e+00 3.42 -8.074546684e-01 -1.411625804e+00 -1.630810162e+00 3.44 -7.748122027e-01 -1.360234960e+00 -1.572517886e+00 3.46 -7.429145261e-01 -1.310843864e+00 -1.516765530e+00 3.48 -7.116827992e-01 -1.263377537e+00 -1.463449488e+00 3.50 -6.810497792e-01 -1.217744043e+00 -1.412448731e+00 3.52 -6.509633663e-01 -1.173839497e+00 -1.363631576e+00 3.54 -6.213904765e-01 -1.131552745e+00 -1.316861860e+00 3.56 -5.923207133e-01 -1.090769474e+00 -1.272004201e+00 3.58 -5.637691033e-01 -1.051375643e+00 -1.228928188e+00 3.60 -5.357770381e-01 -1.013260225e+00 -1.187511423e+00 3.62 -5.084106139e-01 -9.763173296e-01 -1.147641469e+00 3.64 -4.817558515e-01 -9.404478647e-01 -1.109216799e+00 3.66 -4.559108321e-01 -9.055608900e-01 -1.072146931e+00 3.68 -4.309754868e-01 -8.715748643e-01 -1.036351924e+00 3.70 -4.070404395e-01 -8.384189384e-01 -1.001761432e+00 3.72 -3.841766841e-01 -8.060343966e-01 -9.683135089e-01 3.74 -3.624278057e-01 -7.743762541e-01 -9.359533103e-01 3.76 -3.418059380e-01 -7.434148982e-01 -9.046318029e-01 3.78 -3.222918518e-01 -7.131375251e-01 -8.743045706e-01 3.80 -3.038387670e-01 -6.835490070e-01 -8.449307547e-01 3.82 -2.863788938e-01 -6.546717594e-01 -8.164721466e-01 3.84 -2.698314634e-01 -6.265442018e-01 -7.888924321e-01 3.86 -2.541110581e-01 -5.992175627e-01 -7.621565693e-01 3.88 -2.391352914e-01 -5.727510443e-01 -7.362302821e-01 3.90 -2.248311788e-01 -5.472057143e-01 -7.110796452e-01 3.92 -2.111398027e-01 -5.226378123e-01 -6.866707401e-01 3.94 -1.980190609e-01 -4.990923627e-01 -6.629693655e-01 3.96 -1.854444318e-01 -4.765979804e-01 -6.399407857e-01 3.98 -1.734078152e-01 -4.551635380e-01 -6.175495104e-01 4.00 -1.619146553e-01 -4.347769941e-01 -5.957591001e-01 4.02 -1.509797244e-01 -4.154062784e-01 -5.745319947e-01 4.04 -1.406221160e-01 -3.970018063e-01 -5.538293713e-01 4.06 -1.308601098e-01 -3.795000179e-01 -5.336110388e-01 4.08 -1.217065852e-01 -3.628273233e-01 -5.138353817e-01 4.10 -1.131655419e-01 -3.469039440e-01 -4.944593724e-01 4.12 -1.052300700e-01 -3.316473096e-01 -4.754386770e-01 4.14 -9.788184055e-02 -3.169748463e-01 -4.567278824e-01 4.16 -9.109194252e-02 -3.028061436e-01 -4.382808838e-01 4.18 -8.482271949e-02 -2.890645823e-01 -4.200514700e-01 4.20 -7.903019568e-02 -2.756785660e-01 -4.019941515e-01 4.22 -7.366669807e-02 -2.625825113e-01 -3.840652715e-01 4.24 -6.868337225e-02 -2.497177441e-01 -3.662244328e-01 4.26 -6.403240209e-02 -2.370334163e-01 -3.484362568e-01 4.28 -5.966852249e-02 -2.244875171e-01 -3.306724595e-01 4.30 -5.555085733e-02 -2.120480008e-01 -3.129141880e-01 4.32 -5.164445824e-02 -1.996939941e-01 -2.951545023e-01 4.34 -4.792001042e-02 -1.874169874e-01 -2.774008177e-01 4.36 -4.435433137e-02 -1.752218530e-01 -2.596770535e-01 4.38 -4.093054400e-02 -1.631274881e-01 -2.420251736e-01 4.40 -3.763793811e-02 -1.511668572e-01 -2.245057748e-01 4.42 -3.447154414e-02 -1.393862194e-01 -2.071974009e-01 4.44 -3.143143518e-02 -1.278433891e-01 -1.901943525e-01 4.46 -2.852178133e-02 -1.166049853e-01 -1.736029217e-01 4.48 -2.574970408e-02 -1.057427706e-01 -1.575362019e-01 4.50 -2.312400550e-02 -9.532934052e-02 -1.421078588e-01 4.52 -2.065384246e-02 -8.543355688e-02 -1.274254559e-01 4.54 -1.834714636e-02 -7.611619856e-02 -1.135840461e-01 4.56 -1.621053619e-02 -6.742628978e-02 -1.006607330e-01 4.58 -1.424818837e-02 -5.939848428e-02 -8.871077410e-02 4.60 -1.246118445e-02 -5.205171581e-02 -7.776555973e-02 4.62 -1.084741813e-02 -4.538914256e-02 -6.783252227e-02 4.64 -9.401787553e-03 -3.939903237e-02 -5.889677066e-02 4.66 -8.116603957e-03 -3.405694325e-02 -5.092404961e-02 4.68 -6.982135195e-03 -2.932878777e-02 -4.386453433e-02 4.70 -5.987204789e-03 -2.517291050e-02 -3.765697305e-02 4.72 -5.119780007e-03 -2.154278905e-02 -3.223271835e-02 4.74 -4.367500927e-03 -1.838889343e-02 -2.751874799e-02 4.76 -3.718121849e-03 -1.566227902e-02 -2.344239789e-02 4.78 -3.159853464e-03 -1.331550296e-02 -1.993285085e-02 4.80 -2.681607198e-03 -1.130333055e-02 -1.692244799e-02 4.82 -2.273151587e-03 -9.583630157e-03 -1.434882819e-02 4.84 -1.925195062e-03 -8.117887636e-03 -1.215481004e-02 4.86 -1.629410920e-03 -6.871426068e-03 -1.028876182e-02 4.88 -1.378419626e-03 -5.813408927e-03 -8.704681435e-03 4.90 -1.165741738e-03 -4.916693940e-03 -7.362025323e-03 4.92 -9.857323905e-04 -4.157591788e-03 -6.225376727e-03 4.94 -8.335058668e-04 -3.515571199e-03 -5.264022267e-03 4.96 -7.048565571e-04 -2.972940922e-03 -4.451486644e-03 4.98 -5.961807337e-04 -2.514529891e-03 -3.765060166e-03 5.00 -5.044020546e-04 -2.127379649e-03 -3.185341928e-03 5.02 -4.269025505e-04 -1.800457591e-03 -2.695812563e-03 5.04 -3.614600025e-04 -1.524395657e-03 -2.282444141e-03 5.06 -3.061920152e-04 -1.291256272e-03 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