# 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 = Fe2MoPd # 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 2.594792213e+02 2.594792213e+02 1.30 2.383397601e+02 2.383397601e+02 1.32 2.188751417e+02 2.188751417e+02 1.34 2.009525592e+02 2.009525592e+02 1.36 1.844500130e+02 1.844500130e+02 1.38 1.692522575e+02 1.692522575e+02 1.40 1.552499181e+02 1.552499181e+02 1.42 1.423411769e+02 1.423411769e+02 1.44 1.304339596e+02 1.304339596e+02 1.46 1.194467695e+02 1.194467695e+02 1.48 1.093077020e+02 1.093077020e+02 1.50 9.995240761e+01 9.995240761e+01 1.52 9.132202418e+01 9.132202418e+01 1.54 8.336167012e+01 8.336167012e+01 1.56 7.601960985e+01 7.601960985e+01 1.58 6.924696453e+01 6.924696453e+01 1.60 6.299781457e+01 6.299781457e+01 1.62 5.722955132e+01 5.722955132e+01 1.64 5.190329110e+01 5.190329110e+01 1.66 4.698413122e+01 4.698413122e+01 1.68 4.244140396e+01 4.244140396e+01 1.70 3.825124605e+01 3.825124605e+01 1.72 3.440626107e+01 3.440626107e+01 1.74 3.088702954e+01 3.088702954e+01 1.76 2.766797465e+01 2.766797465e+01 1.78 2.472424685e+01 2.472424685e+01 1.80 2.203199051e+01 2.203199051e+01 1.82 1.956879713e+01 1.956879713e+01 1.84 1.731412995e+01 1.731412995e+01 1.86 1.524957043e+01 1.524957043e+01 1.88 1.335883576e+01 1.335883576e+01 1.90 1.162760005e+01 1.162760005e+01 1.92 1.004319641e+01 1.004319641e+01 1.94 8.594279338e+00 8.594279338e+00 1.96 7.270507418e+00 7.270507418e+00 1.98 6.062283981e+00 6.062283981e+00 2.00 4.960578050e+00 4.960578050e+00 2.02 3.956831538e+00 3.956831538e+00 2.04 3.042938353e+00 3.042938353e+00 2.06 2.211265747e+00 2.211265747e+00 2.08 1.454687414e+00 1.454687414e+00 2.10 7.666097013e-01 7.666097013e-01 2.12 1.409861938e-01 1.409861938e-01 2.14 -4.276774313e-01 -4.276774313e-01 2.16 -9.443276724e-01 -9.443276724e-01 2.18 -1.413379575e+00 -1.413379575e+00 2.20 -1.838748679e+00 -1.838748679e+00 2.22 -2.223898655e+00 -2.223898655e+00 2.24 -2.571900241e+00 -2.571900241e+00 2.26 -2.885494498e+00 -2.885494498e+00 2.28 -3.167153630e+00 -3.167153630e+00 2.30 -3.419134805e+00 -3.419134805e+00 2.32 -3.643490698e+00 -3.643490698e+00 2.34 -3.842022266e+00 -3.842022266e+00 2.36 -4.016757784e+00 -4.016757784e+00 2.38 -4.169635767e+00 -4.169635767e+00 2.40 -4.302461733e+00 -4.302461733e+00 2.42 -4.416923108e+00 -4.416923108e+00 2.44 -4.514598197e+00 -4.514598197e+00 2.46 -4.596942165e+00 -4.596942165e+00 2.48 -4.665095781e+00 -4.665095781e+00 2.50 -4.720034327e+00 -4.720034327e+00 2.52 -4.762715543e+00 -4.762715543e+00 2.54 -4.794054991e+00 -4.794054991e+00 2.56 -4.814904443e+00 -4.814904443e+00 2.58 -4.826039583e+00 -4.826039583e+00 2.60 -4.828469079e+00 -4.828469079e+00 2.62 -4.822914483e+00 -4.822914483e+00 2.64 -4.809693057e+00 -4.809693057e+00 2.66 -4.789113110e+00 -4.789113110e+00 2.68 -4.761476294e+00 -4.761476294e+00 2.70 -4.727058402e+00 -4.727058402e+00 2.72 -4.686126495e+00 -4.686126495e+00 2.74 -4.638980222e+00 -4.638980222e+00 2.76 -4.585980787e+00 -4.585980787e+00 2.78 -4.527482236e+00 -4.527482236e+00 2.80 -4.463831063e+00 -4.463831063e+00 2.82 -4.395327298e+00 -4.395327298e+00 2.84 -4.322029237e+00 -4.322029237e+00 2.86 -4.243992875e+00 -4.243992875e+00 2.88 -4.161381949e+00 -4.161381949e+00 2.90 -4.074463034e+00 -4.074463034e+00 2.92 -3.983593218e+00 -3.983593218e+00 2.94 -3.889200243e+00 -3.889200243e+00 2.96 -3.791756483e+00 -3.791756483e+00 2.98 -3.691749721e+00 -3.691749721e+00 3.00 -3.589654527e+00 -3.589654527e+00 3.02 -3.485907913e+00 -3.485907913e+00 3.04 -3.380891950e+00 -3.380891950e+00 3.06 -3.274924693e+00 -3.274924693e+00 3.08 -3.168259405e+00 -3.168259405e+00 3.10 -3.061091121e+00 -3.061091121e+00 3.12 -2.953568959e+00 -2.953568959e+00 3.14 -2.845812248e+00 -2.845812248e+00 3.16 -2.737928432e+00 -2.737928432e+00 3.18 -2.630030721e+00 -2.630030721e+00 3.20 -2.522253645e+00 -2.522253645e+00 3.22 -2.414764968e+00 -2.414764968e+00 3.24 -2.307772910e+00 -2.307772910e+00 3.26 -2.201528175e+00 -2.201528175e+00 3.28 -2.096320987e+00 -2.096320987e+00 3.30 -1.992473903e+00 -1.992473903e+00 3.32 -1.890331704e+00 -1.890331704e+00 3.34 -1.790249855e+00 -1.790249855e+00 3.36 -1.692582934e+00 -1.692582934e+00 3.38 -1.597674079e+00 -1.597674079e+00 3.40 -1.505845959e+00 -1.505845959e+00 3.42 -1.417393301e+00 -1.417393301e+00 3.44 -1.332576654e+00 -1.332576654e+00 3.46 -1.251617003e+00 -1.251617003e+00 3.48 -1.174691013e+00 -1.174691013e+00 3.50 -1.101926942e+00 -1.101926942e+00 3.52 -1.033401556e+00 -1.033401556e+00 3.54 -9.691385057e-01 -9.691385057e-01 3.56 -9.091085877e-01 -9.091085877e-01 3.58 -8.532321574e-01 -8.532321574e-01 3.60 -8.013836396e-01 -8.013836396e-01 3.62 -7.533978362e-01 -7.533978362e-01 3.64 -7.090774908e-01 -7.090774908e-01 3.66 -6.682014971e-01 -6.682014971e-01 3.68 -6.305331304e-01 -6.305331304e-01 3.70 -5.958277441e-01 -5.958277441e-01 3.72 -5.638395328e-01 -5.638395328e-01 3.74 -5.343271525e-01 -5.343271525e-01 3.76 -5.070580573e-01 -5.070580573e-01 3.78 -4.818120814e-01 -4.818120814e-01 3.80 -4.583833153e-01 -4.583833153e-01 3.82 -4.365813409e-01 -4.365813409e-01 3.84 -4.162317946e-01 -4.162317946e-01 3.86 -3.971763862e-01 -3.971763862e-01 3.88 -3.792725492e-01 -3.792725492e-01 3.90 -3.623928711e-01 -3.623928711e-01 3.92 -3.464244226e-01 -3.464244226e-01 3.94 -3.312680706e-01 -3.312680706e-01 3.96 -3.168378252e-01 -3.168378252e-01 3.98 -3.030602383e-01 -3.030602383e-01 4.00 -2.898738378e-01 -2.898738378e-01 4.02 -2.772285497e-01 -2.772285497e-01 4.04 -2.650850396e-01 -2.650850396e-01 4.06 -2.534138919e-01 -2.534138919e-01 4.08 -2.421945522e-01 -2.421945522e-01 4.10 -2.314139831e-01 -2.314139831e-01 4.12 -2.210650341e-01 -2.210650341e-01 4.14 -2.111445740e-01 -2.111445740e-01 4.16 -2.016515127e-01 -2.016515127e-01 4.18 -1.925848606e-01 -1.925848606e-01 4.20 -1.839420157e-01 -1.839420157e-01 4.22 -1.757174114e-01 -1.757174114e-01 4.24 -1.679016427e-01 -1.679016427e-01 4.26 -1.604810910e-01 -1.604810910e-01 4.28 -1.534380337e-01 -1.534380337e-01 4.30 -1.467511249e-01 -1.467511249e-01 4.32 -1.403960961e-01 -1.403960961e-01 4.34 -1.343463741e-01 -1.343463741e-01 4.36 -1.285746468e-01 -1.285746468e-01 4.38 -1.230532283e-01 -1.230532283e-01 4.40 -1.177546261e-01 -1.177546261e-01 4.42 -1.126521481e-01 -1.126521481e-01 4.44 -1.077203705e-01 -1.077203705e-01 4.46 -1.029354925e-01 -1.029354925e-01 4.48 -9.827560980e-02 -9.827560980e-02 4.50 -9.372093915e-02 -9.372093915e-02 4.52 -8.925402113e-02 -8.925402113e-02 4.54 -8.485992238e-02 -8.485992238e-02 4.56 -8.052644782e-02 -8.052644782e-02 4.58 -7.624436393e-02 -7.624436393e-02 4.60 -7.200762259e-02 -7.200762259e-02 4.62 -6.781356476e-02 -6.781356476e-02 4.64 -6.366307338e-02 -6.366307338e-02 4.66 -5.956063824e-02 -5.956063824e-02 4.68 -5.551429329e-02 -5.551429329e-02 4.70 -5.153539019e-02 -5.153539019e-02 4.72 -4.763818311e-02 -4.763818311e-02 4.74 -4.383921730e-02 -4.383921730e-02 4.76 -4.015653760e-02 -4.015653760e-02 4.78 -3.660875891e-02 -3.660875891e-02 4.80 -3.321406336e-02 -3.321406336e-02 4.82 -2.998920780e-02 -2.998920780e-02 4.84 -2.694861840e-02 -2.694861840e-02 4.86 -2.410366322e-02 -2.410366322e-02 4.88 -2.146215246e-02 -2.146215246e-02 4.90 -1.902809549e-02 -1.902809549e-02 4.92 -1.680171320e-02 -1.680171320e-02 4.94 -1.477915861e-02 -1.477915861e-02 4.96 -1.295396020e-02 -1.295396020e-02 4.98 -1.131750693e-02 -1.131750693e-02 5.00 -9.859020895e-03 -9.859020895e-03 5.02 -8.566215742e-03 -8.566215742e-03 5.04 -7.425906363e-03 -7.425906363e-03 5.06 -6.424540497e-03 -6.424540497e-03 5.08 -5.548636928e-03 -5.548636928e-03 5.10 -4.785126651e-03 -4.785126651e-03 5.12 -4.121601861e-03 -4.121601861e-03 5.14 -3.546482961e-03 -3.546482961e-03 5.16 -3.049116576e-03 -3.049116576e-03 5.18 -2.619818233e-03 -2.619818233e-03 5.20 -2.249872790e-03 -2.249872790e-03 5.22 -1.931504211e-03 -1.931504211e-03 5.24 -1.657824506e-03 -1.657824506e-03 5.26 -1.422769734e-03 -1.422769734e-03 5.28 -1.221029200e-03 -1.221029200e-03 5.30 -1.047972396e-03 -1.047972396e-03 5.32 -8.995769345e-04 -8.995769345e-04 5.34 -7.723596628e-04 -7.723596628e-04 5.36 -6.633123259e-04 -6.633123259e-04 5.38 -5.698425342e-04 -5.698425342e-04 5.40 -4.897203465e-04 -4.897203465e-04 5.42 -4.210304662e-04 -4.210304662e-04 5.44 -3.621298427e-04 -3.621298427e-04 5.46 -3.116103403e-04 -3.116103403e-04 5.48 -2.682660657e-04 -2.682660657e-04 5.50 -2.310649136e-04 -2.310649136e-04 5.52 -1.991238873e-04 -1.991238873e-04 5.54 -1.716877661e-04 -1.716877661e-04 5.56 -1.481107161e-04 -1.481107161e-04 5.58 -1.278404762e-04 -1.278404762e-04 5.60 -1.104047828e-04 -1.104047828e-04 5.62 -9.539973644e-05 -9.539973644e-05 5.64 -8.247984210e-05 -8.247984210e-05 5.66 -7.134949366e-05 -7.134949366e-05 5.68 -6.175569663e-05 -6.175569663e-05 5.70 -5.348185381e-05 -5.348185381e-05 5.72 -4.634246051e-05 -4.634246051e-05 5.74 -4.017857755e-05 -4.017857755e-05 5.76 -3.485396859e-05 -3.485396859e-05 5.78 -3.025180465e-05 -3.025180465e-05 5.80 -2.627185233e-05 -2.627185233e-05 5.82 -2.282807452e-05 -2.282807452e-05 5.84 -1.984658284e-05 -1.984658284e-05 5.86 -1.726388969e-05 -1.726388969e-05 5.88 -1.502541576e-05 -1.502541576e-05 5.90 -1.308421528e-05 -1.308421528e-05 5.92 -1.139988680e-05 -1.139988680e-05 5.94 -9.937642114e-06 -9.937642114e-06 5.96 -8.667510130e-06 -8.667510130e-06 5.98 -7.563655777e-06 -7.563655777e-06 6.00 -6.603797051e-06 -6.603797051e-06