# 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 = AgFe2Pt # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.610118034e+02 2.610118034e+02 1.30 2.405290720e+02 2.405290720e+02 1.32 2.215882293e+02 2.215882293e+02 1.34 2.040775018e+02 2.040775018e+02 1.36 1.878958311e+02 1.878958311e+02 1.38 1.729442528e+02 1.729442528e+02 1.40 1.591229561e+02 1.591229561e+02 1.42 1.463341874e+02 1.463341874e+02 1.44 1.344873384e+02 1.344873384e+02 1.46 1.235028286e+02 1.235028286e+02 1.48 1.133129607e+02 1.133129607e+02 1.50 1.038596779e+02 1.038596779e+02 1.52 9.509077534e+01 9.509077534e+01 1.54 8.695659831e+01 8.695659831e+01 1.56 7.940846266e+01 7.940846266e+01 1.58 7.239870923e+01 7.239870923e+01 1.60 6.588154941e+01 6.588154941e+01 1.62 5.981409750e+01 5.981409750e+01 1.64 5.415750698e+01 5.415750698e+01 1.66 4.887805622e+01 4.887805622e+01 1.68 4.396950896e+01 4.396950896e+01 1.70 3.947383778e+01 3.947383778e+01 1.72 3.536913318e+01 3.536913318e+01 1.74 3.162978299e+01 3.162978299e+01 1.76 2.822996064e+01 2.822996064e+01 1.78 2.514278456e+01 2.514278456e+01 1.80 2.234085925e+01 2.234085925e+01 1.82 1.979749632e+01 1.979749632e+01 1.84 1.748779507e+01 1.748779507e+01 1.86 1.538918193e+01 1.538918193e+01 1.88 1.348144686e+01 1.348144686e+01 1.90 1.174650506e+01 1.174650506e+01 1.92 1.016809410e+01 1.016809410e+01 1.94 8.731519430e+00 8.731519430e+00 1.96 7.423477996e+00 7.423477996e+00 1.98 6.231946783e+00 6.231946783e+00 2.00 5.146108954e+00 5.146108954e+00 2.02 4.156293285e+00 4.156293285e+00 2.04 3.253910038e+00 3.253910038e+00 2.06 2.431369993e+00 2.431369993e+00 2.08 1.681977079e+00 1.681977079e+00 2.10 9.997961725e-01 9.997961725e-01 2.12 3.795126851e-01 3.795126851e-01 2.14 -1.836919135e-01 -1.836919135e-01 2.16 -6.942306536e-01 -6.942306536e-01 2.18 -1.156165101e+00 -1.156165101e+00 2.20 -1.573233350e+00 -1.573233350e+00 2.22 -1.948866186e+00 -1.948866186e+00 2.24 -2.286201680e+00 -2.286201680e+00 2.26 -2.588102793e+00 -2.588102793e+00 2.28 -2.857178901e+00 -2.857178901e+00 2.30 -3.095810944e+00 -3.095810944e+00 2.32 -3.306195243e+00 -3.306195243e+00 2.34 -3.491593702e+00 -3.491593702e+00 2.36 -3.654254083e+00 -3.654254083e+00 2.38 -3.795434180e+00 -3.795434180e+00 2.40 -3.916406549e+00 -3.916406549e+00 2.42 -4.018465272e+00 -4.018465272e+00 2.44 -4.102929553e+00 -4.102929553e+00 2.46 -4.171144595e+00 -4.171144595e+00 2.48 -4.224480500e+00 -4.224480500e+00 2.50 -4.264327953e+00 -4.264327953e+00 2.52 -4.292086388e+00 -4.292086388e+00 2.54 -4.309139415e+00 -4.309139415e+00 2.56 -4.316816264e+00 -4.316816264e+00 2.58 -4.316345439e+00 -4.316345439e+00 2.60 -4.308812486e+00 -4.308812486e+00 2.62 -4.295136411e+00 -4.295136411e+00 2.64 -4.276062510e+00 -4.276062510e+00 2.66 -4.252158489e+00 -4.252158489e+00 2.68 -4.223857303e+00 -4.223857303e+00 2.70 -4.191486231e+00 -4.191486231e+00 2.72 -4.155294190e+00 -4.155294190e+00 2.74 -4.115475770e+00 -4.115475770e+00 2.76 -4.072190804e+00 -4.072190804e+00 2.78 -4.025549700e+00 -4.025549700e+00 2.80 -3.975515629e+00 -3.975515629e+00 2.82 -3.921867583e+00 -3.921867583e+00 2.84 -3.864450665e+00 -3.864450665e+00 2.86 -3.803211143e+00 -3.803211143e+00 2.88 -3.738195222e+00 -3.738195222e+00 2.90 -3.669547909e+00 -3.669547909e+00 2.92 -3.597509772e+00 -3.597509772e+00 2.94 -3.522410301e+00 -3.522410301e+00 2.96 -3.444660088e+00 -3.444660088e+00 2.98 -3.364720912e+00 -3.364720912e+00 3.00 -3.283079402e+00 -3.283079402e+00 3.02 -3.200368872e+00 -3.200368872e+00 3.04 -3.117285485e+00 -3.117285485e+00 3.06 -3.034387994e+00 -3.034387994e+00 3.08 -2.952092132e+00 -2.952092132e+00 3.10 -2.870688298e+00 -2.870688298e+00 3.12 -2.790369184e+00 -2.790369184e+00 3.14 -2.711260657e+00 -2.711260657e+00 3.16 -2.633450410e+00 -2.633450410e+00 3.18 -2.557011069e+00 -2.557011069e+00 3.20 -2.482016261e+00 -2.482016261e+00 3.22 -2.408549569e+00 -2.408549569e+00 3.24 -2.336707117e+00 -2.336707117e+00 3.26 -2.266594993e+00 -2.266594993e+00 3.28 -2.198323048e+00 -2.198323048e+00 3.30 -2.131996708e+00 -2.131996708e+00 3.32 -2.067708431e+00 -2.067708431e+00 3.34 -2.005530190e+00 -2.005530190e+00 3.36 -1.945508024e+00 -1.945508024e+00 3.38 -1.887659189e+00 -1.887659189e+00 3.40 -1.831971971e+00 -1.831971971e+00 3.42 -1.778407816e+00 -1.778407816e+00 3.44 -1.726905166e+00 -1.726905166e+00 3.46 -1.677384307e+00 -1.677384307e+00 3.48 -1.629752555e+00 -1.629752555e+00 3.50 -1.583909235e+00 -1.583909235e+00 3.52 -1.539750089e+00 -1.539750089e+00 3.54 -1.497170901e+00 -1.497170901e+00 3.56 -1.456070278e+00 -1.456070278e+00 3.58 -1.416351606e+00 -1.416351606e+00 3.60 -1.377924290e+00 -1.377924290e+00 3.62 -1.340704401e+00 -1.340704401e+00 3.64 -1.304614847e+00 -1.304614847e+00 3.66 -1.269585210e+00 -1.269585210e+00 3.68 -1.235551339e+00 -1.235551339e+00 3.70 -1.202454791e+00 -1.202454791e+00 3.72 -1.170242193e+00 -1.170242193e+00 3.74 -1.138864566e+00 -1.138864566e+00 3.76 -1.108276659e+00 -1.108276659e+00 3.78 -1.078436307e+00 -1.078436307e+00 3.80 -1.049303848e+00 -1.049303848e+00 3.82 -1.020841599e+00 -1.020841599e+00 3.84 -9.930134190e-01 -9.930134190e-01 3.86 -9.657843528e-01 -9.657843528e-01 3.88 -9.391203910e-01 -9.391203910e-01 3.90 -9.129883420e-01 -9.129883420e-01 3.92 -8.873558452e-01 -8.873558452e-01 3.94 -8.621915450e-01 -8.621915450e-01 3.96 -8.374654277e-01 -8.374654277e-01 3.98 -8.131493617e-01 -8.131493617e-01 4.00 -7.892178239e-01 -7.892178239e-01 4.02 -7.656488122e-01 -7.656488122e-01 4.04 -7.424249054e-01 -7.424249054e-01 4.06 -7.195344047e-01 -7.195344047e-01 4.08 -6.969724501e-01 -6.969724501e-01 4.10 -6.747419663e-01 -6.747419663e-01 4.12 -6.528542936e-01 -6.528542936e-01 4.14 -6.313292533e-01 -6.313292533e-01 4.16 -6.101945939e-01 -6.101945939e-01 4.18 -5.894846502e-01 -5.894846502e-01 4.20 -5.692382571e-01 -5.692382571e-01 4.22 -5.494960441e-01 -5.494960441e-01 4.24 -5.302973592e-01 -5.302973592e-01 4.26 -5.116771512e-01 -5.116771512e-01 4.28 -4.936631650e-01 -4.936631650e-01 4.30 -4.762737550e-01 -4.762737550e-01 4.32 -4.595165217e-01 -4.595165217e-01 4.34 -4.433878389e-01 -4.433878389e-01 4.36 -4.278732094e-01 -4.278732094e-01 4.38 -4.129483022e-01 -4.129483022e-01 4.40 -3.985804317e-01 -3.985804317e-01 4.42 -3.847302714e-01 -3.847302714e-01 4.44 -3.713536150e-01 -3.713536150e-01 4.46 -3.584031695e-01 -3.584031695e-01 4.48 -3.458303721e-01 -3.458303721e-01 4.50 -3.335851685e-01 -3.335851685e-01 4.52 -3.216180846e-01 -3.216180846e-01 4.54 -3.098810654e-01 -3.098810654e-01 4.56 -2.983289517e-01 -2.983289517e-01 4.58 -2.869195176e-01 -2.869195176e-01 4.60 -2.756140729e-01 -2.756140729e-01 4.62 -2.643782040e-01 -2.643782040e-01 4.64 -2.531825481e-01 -2.531825481e-01 4.66 -2.420036119e-01 -2.420036119e-01 4.68 -2.308246230e-01 -2.308246230e-01 4.70 -2.196363685e-01 -2.196363685e-01 4.72 -2.084379567e-01 -2.084379567e-01 4.74 -1.972374114e-01 -1.972374114e-01 4.76 -1.860519973e-01 -1.860519973e-01 4.78 -1.749081759e-01 -1.749081759e-01 4.80 -1.638411048e-01 -1.638411048e-01 4.82 -1.528936366e-01 -1.528936366e-01 4.84 -1.421148012e-01 -1.421148012e-01 4.86 -1.315578505e-01 -1.315578505e-01 4.88 -1.212779701e-01 -1.212779701e-01 4.90 -1.113298295e-01 -1.113298295e-01 4.92 -1.017651651e-01 -1.017651651e-01 4.94 -9.263058456e-02 -9.263058456e-02 4.96 -8.396575785e-02 -8.396575785e-02 4.98 -7.580210506e-02 -7.580210506e-02 5.00 -6.816203203e-02 -6.816203203e-02 5.02 -6.105870481e-02 -6.105870481e-02 5.04 -5.449630458e-02 -5.449630458e-02 5.06 -4.847067282e-02 -4.847067282e-02 5.08 -4.297024190e-02 -4.297024190e-02 5.10 -3.797714627e-02 -3.797714627e-02 5.12 -3.346842032e-02 -3.346842032e-02 5.14 -2.941720693e-02 -2.941720693e-02 5.16 -2.579390735e-02 -2.579390735e-02 5.18 -2.256724309e-02 -2.256724309e-02 5.20 -1.970519541e-02 -1.970519541e-02 5.22 -1.717580272e-02 -1.717580272e-02 5.24 -1.494737009e-02 -1.494737009e-02 5.26 -1.298963395e-02 -1.298963395e-02 5.28 -1.127471006e-02 -1.127471006e-02 5.30 -9.776311035e-03 -9.776311035e-03 5.32 -8.469999230e-03 -8.469999230e-03 5.34 -7.333327492e-03 -7.333327492e-03 5.36 -6.345883892e-03 -6.345883892e-03 5.38 -5.489265138e-03 -5.489265138e-03 5.40 -4.746999333e-03 -4.746999333e-03 5.42 -4.104434827e-03 -4.104434827e-03 5.44 -3.548608429e-03 -3.548608429e-03 5.46 -3.068103157e-03 -3.068103157e-03 5.48 -2.652903108e-03 -2.652903108e-03 5.50 -2.294250864e-03 -2.294250864e-03 5.52 -1.984511154e-03 -1.984511154e-03 5.54 -1.717043145e-03 -1.717043145e-03 5.56 -1.486082690e-03 -1.486082690e-03 5.58 -1.286635139e-03 -1.286635139e-03 5.60 -1.114378750e-03 -1.114378750e-03 5.62 -9.655783942e-04 -9.655783942e-04 5.64 -8.370089714e-04 -8.370089714e-04 5.66 -7.258878569e-04 -7.258878569e-04 5.68 -6.298155831e-04 -6.298155831e-04 5.70 -5.467239691e-04 -5.467239691e-04 5.72 -4.748309153e-04 -4.748309153e-04 5.74 -4.126011156e-04 -4.126011156e-04 5.76 -3.587119934e-04 -3.587119934e-04 5.78 -3.120242250e-04 -3.120242250e-04 5.80 -2.715562724e-04 -2.715562724e-04 5.82 -2.364624107e-04 -2.364624107e-04 5.84 -2.060137900e-04 -2.060137900e-04 5.86 -1.795821263e-04 -1.795821263e-04 5.88 -1.566256663e-04 -1.566256663e-04 5.90 -1.366771159e-04 -1.366771159e-04 5.92 -1.193332592e-04 -1.193332592e-04 5.94 -1.042460360e-04 -1.042460360e-04 5.96 -9.111487228e-05 -9.111487228e-05 5.98 -7.968008839e-05 -7.968008839e-05 6.00 -6.971723381e-05 -6.971723381e-05