# 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 = AlMg2Pb # 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 2.828876136e+02 2.828876136e+02 1.30 2.632372879e+02 2.632372879e+02 1.32 2.450100092e+02 2.450100092e+02 1.34 2.280930488e+02 2.280930488e+02 1.36 2.123828262e+02 2.123828262e+02 1.38 1.977848444e+02 1.977848444e+02 1.40 1.842135094e+02 1.842135094e+02 1.42 1.715913779e+02 1.715913779e+02 1.44 1.598477651e+02 1.598477651e+02 1.46 1.489170627e+02 1.489170627e+02 1.48 1.387376873e+02 1.387376873e+02 1.50 1.292523071e+02 1.292523071e+02 1.52 1.204087262e+02 1.204087262e+02 1.54 1.121601727e+02 1.121601727e+02 1.56 1.044646238e+02 1.044646238e+02 1.58 9.728374029e+01 9.728374029e+01 1.60 9.058201177e+01 9.058201177e+01 1.62 8.433079036e+01 8.433079036e+01 1.64 7.850149176e+01 7.850149176e+01 1.66 7.306530891e+01 7.306530891e+01 1.68 6.799381991e+01 6.799381991e+01 1.70 6.326068049e+01 6.326068049e+01 1.72 5.884181829e+01 5.884181829e+01 1.74 5.471530025e+01 5.471530025e+01 1.76 5.086101820e+01 5.086101820e+01 1.78 4.726037840e+01 4.726037840e+01 1.80 4.389611921e+01 4.389611921e+01 1.82 4.075227155e+01 4.075227155e+01 1.84 3.781415774e+01 3.781415774e+01 1.86 3.506836314e+01 3.506836314e+01 1.88 3.250263893e+01 3.250263893e+01 1.90 3.010573791e+01 3.010573791e+01 1.92 2.786720913e+01 2.786720913e+01 1.94 2.577718397e+01 2.577718397e+01 1.96 2.382617921e+01 2.382617921e+01 1.98 2.200498873e+01 2.200498873e+01 2.00 2.030470151e+01 2.030470151e+01 2.02 1.871683220e+01 1.871683220e+01 2.04 1.723348388e+01 1.723348388e+01 2.06 1.584745300e+01 1.584745300e+01 2.08 1.455223394e+01 1.455223394e+01 2.10 1.334194451e+01 1.334194451e+01 2.12 1.221121696e+01 1.221121696e+01 2.14 1.115509055e+01 1.115509055e+01 2.16 1.016893141e+01 1.016893141e+01 2.18 9.248380665e+00 9.248380665e+00 2.20 8.389327513e+00 8.389327513e+00 2.22 7.587897341e+00 7.587897341e+00 2.24 6.840448706e+00 6.840448706e+00 2.26 6.143573400e+00 6.143573400e+00 2.28 5.494091322e+00 5.494091322e+00 2.30 4.889048689e+00 4.889048689e+00 2.32 4.325697415e+00 4.325697415e+00 2.34 3.801485502e+00 3.801485502e+00 2.36 3.314033240e+00 3.314033240e+00 2.38 2.861117086e+00 2.861117086e+00 2.40 2.440654725e+00 2.440654725e+00 2.42 2.050691879e+00 2.050691879e+00 2.44 1.689392106e+00 1.689392106e+00 2.46 1.355025133e+00 1.355025133e+00 2.48 1.045954239e+00 1.045954239e+00 2.50 7.606201607e-01 7.606201607e-01 2.52 4.975218789e-01 4.975218789e-01 2.54 2.551970251e-01 2.551970251e-01 2.56 3.220687333e-02 3.220687333e-02 2.58 -1.728685839e-01 -1.728685839e-01 2.60 -3.614216522e-01 -3.614216522e-01 2.62 -5.347940146e-01 -5.347940146e-01 2.64 -6.947261543e-01 -6.947261543e-01 2.66 -8.425727337e-01 -8.425727337e-01 2.68 -9.790802465e-01 -9.790802465e-01 2.70 -1.104907246e+00 -1.104907246e+00 2.72 -1.220627336e+00 -1.220627336e+00 2.74 -1.326743483e+00 -1.326743483e+00 2.76 -1.423706453e+00 -1.423706453e+00 2.78 -1.511931259e+00 -1.511931259e+00 2.80 -1.591812893e+00 -1.591812893e+00 2.82 -1.663740751e+00 -1.663740751e+00 2.84 -1.728097262e+00 -1.728097262e+00 2.86 -1.785252001e+00 -1.785252001e+00 2.88 -1.835562798e+00 -1.835562798e+00 2.90 -1.879376933e+00 -1.879376933e+00 2.92 -1.917033222e+00 -1.917033222e+00 2.94 -1.948865473e+00 -1.948865473e+00 2.96 -1.975207334e+00 -1.975207334e+00 2.98 -1.996398070e+00 -1.996398070e+00 3.00 -2.012788217e+00 -2.012788217e+00 3.02 -2.024743591e+00 -2.024743591e+00 3.04 -2.032645165e+00 -2.032645165e+00 3.06 -2.036888756e+00 -2.036888756e+00 3.08 -2.037870924e+00 -2.037870924e+00 3.10 -2.035992871e+00 -2.035992871e+00 3.12 -2.031641948e+00 -2.031641948e+00 3.14 -2.025129353e+00 -2.025129353e+00 3.16 -2.016726878e+00 -2.016726878e+00 3.18 -2.006669785e+00 -2.006669785e+00 3.20 -1.995156369e+00 -1.995156369e+00 3.22 -1.982351616e+00 -1.982351616e+00 3.24 -1.968392543e+00 -1.968392543e+00 3.26 -1.953393956e+00 -1.953393956e+00 3.28 -1.937452930e+00 -1.937452930e+00 3.30 -1.920651056e+00 -1.920651056e+00 3.32 -1.903081085e+00 -1.903081085e+00 3.34 -1.884790784e+00 -1.884790784e+00 3.36 -1.865817222e+00 -1.865817222e+00 3.38 -1.846197557e+00 -1.846197557e+00 3.40 -1.825968712e+00 -1.825968712e+00 3.42 -1.805168432e+00 -1.805168432e+00 3.44 -1.783834119e+00 -1.783834119e+00 3.46 -1.762004261e+00 -1.762004261e+00 3.48 -1.739718426e+00 -1.739718426e+00 3.50 -1.717017027e+00 -1.717017027e+00 3.52 -1.693929654e+00 -1.693929654e+00 3.54 -1.670465060e+00 -1.670465060e+00 3.56 -1.646636106e+00 -1.646636106e+00 3.58 -1.622461277e+00 -1.622461277e+00 3.60 -1.597963637e+00 -1.597963637e+00 3.62 -1.573169977e+00 -1.573169977e+00 3.64 -1.548110158e+00 -1.548110158e+00 3.66 -1.522816599e+00 -1.522816599e+00 3.68 -1.497323827e+00 -1.497323827e+00 3.70 -1.471668010e+00 -1.471668010e+00 3.72 -1.445886419e+00 -1.445886419e+00 3.74 -1.420016763e+00 -1.420016763e+00 3.76 -1.394096433e+00 -1.394096433e+00 3.78 -1.368161682e+00 -1.368161682e+00 3.80 -1.342246839e+00 -1.342246839e+00 3.82 -1.316383619e+00 -1.316383619e+00 3.84 -1.290600599e+00 -1.290600599e+00 3.86 -1.264922862e+00 -1.264922862e+00 3.88 -1.239371806e+00 -1.239371806e+00 3.90 -1.213965072e+00 -1.213965072e+00 3.92 -1.188716068e+00 -1.188716068e+00 3.94 -1.163636249e+00 -1.163636249e+00 3.96 -1.138731914e+00 -1.138731914e+00 3.98 -1.114006900e+00 -1.114006900e+00 4.00 -1.089462333e+00 -1.089462333e+00 4.02 -1.065097091e+00 -1.065097091e+00 4.04 -1.040908339e+00 -1.040908339e+00 4.06 -1.016892125e+00 -1.016892125e+00 4.08 -9.930440370e-01 -9.930440370e-01 4.10 -9.693584577e-01 -9.693584577e-01 4.12 -9.458355171e-01 -9.458355171e-01 4.14 -9.224722869e-01 -9.224722869e-01 4.16 -8.992705214e-01 -8.992705214e-01 4.18 -8.762358121e-01 -8.762358121e-01 4.20 -8.533784886e-01 -8.533784886e-01 4.22 -8.307143639e-01 -8.307143639e-01 4.24 -8.082651964e-01 -8.082651964e-01 4.26 -7.860587439e-01 -7.860587439e-01 4.28 -7.641283013e-01 -7.641283013e-01 4.30 -7.425116671e-01 -7.425116671e-01 4.32 -7.212495539e-01 -7.212495539e-01 4.34 -7.003835495e-01 -7.003835495e-01 4.36 -6.799538124e-01 -6.799538124e-01 4.38 -6.599967445e-01 -6.599967445e-01 4.40 -6.405428934e-01 -6.405428934e-01 4.42 -6.216153052e-01 -6.216153052e-01 4.44 -6.032284746e-01 -6.032284746e-01 4.46 -5.853879464e-01 -5.853879464e-01 4.48 -5.680905297e-01 -5.680905297e-01 4.50 -5.513250136e-01 -5.513250136e-01 4.52 -5.350732362e-01 -5.350732362e-01 4.54 -5.193113451e-01 -5.193113451e-01 4.56 -5.040111105e-01 -5.040111105e-01 4.58 -4.891411828e-01 -4.891411828e-01 4.60 -4.746682274e-01 -4.746682274e-01 4.62 -4.605579053e-01 -4.605579053e-01 4.64 -4.467757001e-01 -4.467757001e-01 4.66 -4.332876095e-01 -4.332876095e-01 4.68 -4.200607356e-01 -4.200607356e-01 4.70 -4.070638073e-01 -4.070638073e-01 4.72 -3.942676716e-01 -3.942676716e-01 4.74 -3.816457802e-01 -3.816457802e-01 4.76 -3.691746909e-01 -3.691746909e-01 4.78 -3.568345907e-01 -3.568345907e-01 4.80 -3.446087165e-01 -3.446087165e-01 4.82 -3.324885421e-01 -3.324885421e-01 4.84 -3.204669862e-01 -3.204669862e-01 4.86 -3.085439008e-01 -3.085439008e-01 4.88 -2.967249938e-01 -2.967249938e-01 4.90 -2.850218813e-01 -2.850218813e-01 4.92 -2.734518803e-01 -2.734518803e-01 4.94 -2.620374990e-01 -2.620374990e-01 4.96 -2.508056112e-01 -2.508056112e-01 4.98 -2.397863331e-01 -2.397863331e-01 5.00 -2.290116569e-01 -2.290116569e-01 5.02 -2.185139304e-01 -2.185139304e-01 5.04 -2.083242995e-01 -2.083242995e-01 5.06 -1.984712350e-01 -1.984712350e-01 5.08 -1.889792671e-01 -1.889792671e-01 5.10 -1.798680172e-01 -1.798680172e-01 5.12 -1.711515906e-01 -1.711515906e-01 5.14 -1.628383429e-01 -1.628383429e-01 5.16 -1.549309991e-01 -1.549309991e-01 5.18 -1.474270697e-01 -1.474270697e-01 5.20 -1.403194863e-01 -1.403194863e-01 5.22 -1.335973737e-01 -1.335973737e-01 5.24 -1.272468769e-01 -1.272468769e-01 5.26 -1.212519755e-01 -1.212519755e-01 5.28 -1.155952328e-01 -1.155952328e-01 5.30 -1.102584481e-01 -1.102584481e-01 5.32 -1.052231939e-01 -1.052231939e-01 5.34 -1.004712368e-01 -1.004712368e-01 5.36 -9.598484835e-02 -9.598484835e-02 5.38 -9.174701734e-02 -9.174701734e-02 5.40 -8.774158128e-02 -8.774158128e-02 5.42 -8.395329135e-02 -8.395329135e-02 5.44 -8.036782556e-02 -8.036782556e-02 5.46 -7.697176310e-02 -7.697176310e-02 5.48 -7.375253143e-02 -7.375253143e-02 5.50 -7.069833445e-02 -7.069833445e-02 5.52 -6.779807466e-02 -6.779807466e-02 5.54 -6.504127434e-02 -6.504127434e-02 5.56 -6.241800297e-02 -6.241800297e-02 5.58 -5.991881611e-02 -5.991881611e-02 5.60 -5.753470863e-02 -5.753470863e-02 5.62 -5.525708352e-02 -5.525708352e-02 5.64 -5.307773541e-02 -5.307773541e-02 5.66 -5.098884798e-02 -5.098884798e-02 5.68 -4.898299428e-02 -4.898299428e-02 5.70 -4.705314993e-02 -4.705314993e-02 5.72 -4.519270808e-02 -4.519270808e-02 5.74 -4.339549390e-02 -4.339549390e-02 5.76 -4.165573064e-02 -4.165573064e-02 5.78 -3.996811652e-02 -3.996811652e-02 5.80 -3.832784946e-02 -3.832784946e-02 5.82 -3.673063471e-02 -3.673063471e-02 5.84 -3.517266363e-02 -3.517266363e-02 5.86 -3.365062024e-02 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