# 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 = Co2MoPb # 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 2.593089925e+02 2.593089925e+02 1.30 2.402646808e+02 2.402646808e+02 1.32 2.226277294e+02 2.226277294e+02 1.34 2.062949374e+02 2.062949374e+02 1.36 1.911704984e+02 1.911704984e+02 1.38 1.771627751e+02 1.771627751e+02 1.40 1.641836017e+02 1.641836017e+02 1.42 1.521495510e+02 1.521495510e+02 1.44 1.409834103e+02 1.409834103e+02 1.46 1.306148905e+02 1.306148905e+02 1.48 1.209805446e+02 1.209805446e+02 1.50 1.120231599e+02 1.120231599e+02 1.52 1.036910114e+02 1.036910114e+02 1.54 9.593724241e+01 9.593724241e+01 1.56 8.871934619e+01 8.871934619e+01 1.58 8.199864676e+01 8.199864676e+01 1.60 7.573977229e+01 7.573977229e+01 1.62 6.991025015e+01 6.991025015e+01 1.64 6.448026124e+01 6.448026124e+01 1.66 5.942249784e+01 5.942249784e+01 1.68 5.471195746e+01 5.471195746e+01 1.70 5.032651476e+01 5.032651476e+01 1.72 4.624745233e+01 4.624745233e+01 1.74 4.246189304e+01 4.246189304e+01 1.76 3.895128582e+01 3.895128582e+01 1.78 3.569552457e+01 3.569552457e+01 1.80 3.267544656e+01 3.267544656e+01 1.82 2.987314812e+01 2.987314812e+01 1.84 2.727224127e+01 2.727224127e+01 1.86 2.485794251e+01 2.485794251e+01 1.88 2.261698865e+01 2.261698865e+01 1.90 2.053741718e+01 2.053741718e+01 1.92 1.860830733e+01 1.860830733e+01 1.94 1.681956584e+01 1.681956584e+01 1.96 1.516178177e+01 1.516178177e+01 1.98 1.362613667e+01 1.362613667e+01 2.00 1.220432520e+01 1.220432520e+01 2.02 1.088848006e+01 1.088848006e+01 2.04 9.671113781e+00 9.671113781e+00 2.06 8.545089714e+00 8.545089714e+00 2.08 7.503618501e+00 7.503618501e+00 2.10 6.540275536e+00 6.540275536e+00 2.12 5.649030296e+00 5.649030296e+00 2.14 4.824280733e+00 4.824280733e+00 2.16 4.060887753e+00 4.060887753e+00 2.18 3.354198497e+00 3.354198497e+00 2.20 2.700045228e+00 2.700045228e+00 2.22 2.094717865e+00 2.094717865e+00 2.24 1.534910048e+00 1.534910048e+00 2.26 1.017651335e+00 1.017651335e+00 2.28 5.402342302e-01 5.402342302e-01 2.30 1.001565688e-01 1.001565688e-01 2.32 -3.049329906e-01 -3.049329906e-01 2.34 -6.772625894e-01 -6.772625894e-01 2.36 -1.018958420e+00 -1.018958420e+00 2.38 -1.332049471e+00 -1.332049471e+00 2.40 -1.618402089e+00 -1.618402089e+00 2.42 -1.879761932e+00 -1.879761932e+00 2.44 -2.117992714e+00 -2.117992714e+00 2.46 -2.334820899e+00 -2.334820899e+00 2.48 -2.531830925e+00 -2.531830925e+00 2.50 -2.710473992e+00 -2.710473992e+00 2.52 -2.872078610e+00 -2.872078610e+00 2.54 -3.017864051e+00 -3.017864051e+00 2.56 -3.148897119e+00 -3.148897119e+00 2.58 -3.265996115e+00 -3.265996115e+00 2.60 -3.369999403e+00 -3.369999403e+00 2.62 -3.461618544e+00 -3.461618544e+00 2.64 -3.541518373e+00 -3.541518373e+00 2.66 -3.610347390e+00 -3.610347390e+00 2.68 -3.668728212e+00 -3.668728212e+00 2.70 -3.717252195e+00 -3.717252195e+00 2.72 -3.756480513e+00 -3.756480513e+00 2.74 -3.786947560e+00 -3.786947560e+00 2.76 -3.809156976e+00 -3.809156976e+00 2.78 -3.823513747e+00 -3.823513747e+00 2.80 -3.830364429e+00 -3.830364429e+00 2.82 -3.830050679e+00 -3.830050679e+00 2.84 -3.822905739e+00 -3.822905739e+00 2.86 -3.809251243e+00 -3.809251243e+00 2.88 -3.789397185e+00 -3.789397185e+00 2.90 -3.763644987e+00 -3.763644987e+00 2.92 -3.732293353e+00 -3.732293353e+00 2.94 -3.695646068e+00 -3.695646068e+00 2.96 -3.654020437e+00 -3.654020437e+00 2.98 -3.607754605e+00 -3.607754605e+00 3.00 -3.557211807e+00 -3.557211807e+00 3.02 -3.502813529e+00 -3.502813529e+00 3.04 -3.444981219e+00 -3.444981219e+00 3.06 -3.384007697e+00 -3.384007697e+00 3.08 -3.320216231e+00 -3.320216231e+00 3.10 -3.253947855e+00 -3.253947855e+00 3.12 -3.185534976e+00 -3.185534976e+00 3.14 -3.115264906e+00 -3.115264906e+00 3.16 -3.043384813e+00 -3.043384813e+00 3.18 -2.970124266e+00 -2.970124266e+00 3.20 -2.895692411e+00 -2.895692411e+00 3.22 -2.820279156e+00 -2.820279156e+00 3.24 -2.744058765e+00 -2.744058765e+00 3.26 -2.667194963e+00 -2.667194963e+00 3.28 -2.589846974e+00 -2.589846974e+00 3.30 -2.512175988e+00 -2.512175988e+00 3.32 -2.434351449e+00 -2.434351449e+00 3.34 -2.356556437e+00 -2.356556437e+00 3.36 -2.278991366e+00 -2.278991366e+00 3.38 -2.201875362e+00 -2.201875362e+00 3.40 -2.125444673e+00 -2.125444673e+00 3.42 -2.049949403e+00 -2.049949403e+00 3.44 -1.975645324e+00 -1.975645324e+00 3.46 -1.902786270e+00 -1.902786270e+00 3.48 -1.831614245e+00 -1.831614245e+00 3.50 -1.762349844e+00 -1.762349844e+00 3.52 -1.695183773e+00 -1.695183773e+00 3.54 -1.630270320e+00 -1.630270320e+00 3.56 -1.567723352e+00 -1.567723352e+00 3.58 -1.507615080e+00 -1.507615080e+00 3.60 -1.449977447e+00 -1.449977447e+00 3.62 -1.394805736e+00 -1.394805736e+00 3.64 -1.342063791e+00 -1.342063791e+00 3.66 -1.291690148e+00 -1.291690148e+00 3.68 -1.243604403e+00 -1.243604403e+00 3.70 -1.197713226e+00 -1.197713226e+00 3.72 -1.153915594e+00 -1.153915594e+00 3.74 -1.112106982e+00 -1.112106982e+00 3.76 -1.072182442e+00 -1.072182442e+00 3.78 -1.034038661e+00 -1.034038661e+00 3.80 -9.975751986e-01 -9.975751986e-01 3.82 -9.626951376e-01 -9.626951376e-01 3.84 -9.293054050e-01 -9.293054050e-01 3.86 -8.973169289e-01 -8.973169289e-01 3.88 -8.666447533e-01 -8.666447533e-01 3.90 -8.372081500e-01 -8.372081500e-01 3.92 -8.089302514e-01 -8.089302514e-01 3.94 -7.817401133e-01 -7.817401133e-01 3.96 -7.555696087e-01 -7.555696087e-01 3.98 -7.303555892e-01 -7.303555892e-01 4.00 -7.060391995e-01 -7.060391995e-01 4.02 -6.825657344e-01 -6.825657344e-01 4.04 -6.598844847e-01 -6.598844847e-01 4.06 -6.379486027e-01 -6.379486027e-01 4.08 -6.167150174e-01 -6.167150174e-01 4.10 -5.961434286e-01 -5.961434286e-01 4.12 -5.762005525e-01 -5.762005525e-01 4.14 -5.568537223e-01 -5.568537223e-01 4.16 -5.380757204e-01 -5.380757204e-01 4.18 -5.198437960e-01 -5.198437960e-01 4.20 -5.021398490e-01 -5.021398490e-01 4.22 -4.849504736e-01 -4.849504736e-01 4.24 -4.682667674e-01 -4.682667674e-01 4.26 -4.520838325e-01 -4.520838325e-01 4.28 -4.363999324e-01 -4.363999324e-01 4.30 -4.212153335e-01 -4.212153335e-01 4.32 -4.065309292e-01 -4.065309292e-01 4.34 -3.923468048e-01 -3.923468048e-01 4.36 -3.786609304e-01 -3.786609304e-01 4.38 -3.654681529e-01 -3.654681529e-01 4.40 -3.527596017e-01 -3.527596017e-01 4.42 -3.405225435e-01 -3.405225435e-01 4.44 -3.287406408e-01 -3.287406408e-01 4.46 -3.173945098e-01 -3.173945098e-01 4.48 -3.064624483e-01 -3.064624483e-01 4.50 -2.959212087e-01 -2.959212087e-01 4.52 -2.857467182e-01 -2.857467182e-01 4.54 -2.759146856e-01 -2.759146856e-01 4.56 -2.664010695e-01 -2.664010695e-01 4.58 -2.571824110e-01 -2.571824110e-01 4.60 -2.482360529e-01 -2.482360529e-01 4.62 -2.395402764e-01 -2.395402764e-01 4.64 -2.310743907e-01 -2.310743907e-01 4.66 -2.228188082e-01 -2.228188082e-01 4.68 -2.147551335e-01 -2.147551335e-01 4.70 -2.068662916e-01 -2.068662916e-01 4.72 -1.991367096e-01 -1.991367096e-01 4.74 -1.915525642e-01 -1.915525642e-01 4.76 -1.841020930e-01 -1.841020930e-01 4.78 -1.767759608e-01 -1.767759608e-01 4.80 -1.695668797e-01 -1.695668797e-01 4.82 -1.624732333e-01 -1.624732333e-01 4.84 -1.554943602e-01 -1.554943602e-01 4.86 -1.486342971e-01 -1.486342971e-01 4.88 -1.419008916e-01 -1.419008916e-01 4.90 -1.353056001e-01 -1.353056001e-01 4.92 -1.288630074e-01 -1.288630074e-01 4.94 -1.225900571e-01 -1.225900571e-01 4.96 -1.165050272e-01 -1.165050272e-01 4.98 -1.106263295e-01 -1.106263295e-01 5.00 -1.049712423e-01 -1.049712423e-01 5.02 -9.955471907e-02 -9.955471907e-02 5.04 -9.438840000e-02 -9.438840000e-02 5.06 -8.947992867e-02 -8.947992867e-02 5.08 -8.483226844e-02 -8.483226844e-02 5.10 -8.044423737e-02 -8.044423737e-02 5.12 -7.631144457e-02 -7.631144457e-02 5.14 -7.242603685e-02 -7.242603685e-02 5.16 -6.877749307e-02 -6.877749307e-02 5.18 -6.535346691e-02 -6.535346691e-02 5.20 -6.214058171e-02 -6.214058171e-02 5.22 -5.912512236e-02 -5.912512236e-02 5.24 -5.629357982e-02 -5.629357982e-02 5.26 -5.363304005e-02 -5.363304005e-02 5.28 -5.113142464e-02 -5.113142464e-02 5.30 -4.877759412e-02 -4.877759412e-02 5.32 -4.656123542e-02 -4.656123542e-02 5.34 -4.447309990e-02 -4.447309990e-02 5.36 -4.250477540e-02 -4.250477540e-02 5.38 -4.064848658e-02 -4.064848658e-02 5.40 -3.889697564e-02 -3.889697564e-02 5.42 -3.724339575e-02 -3.724339575e-02 5.44 -3.568122553e-02 -3.568122553e-02 5.46 -3.420420780e-02 -3.420420780e-02 5.48 -3.280631181e-02 -3.280631181e-02 5.50 -3.148171576e-02 -3.148171576e-02 5.52 -3.022480470e-02 -3.022480470e-02 5.54 -2.903017885e-02 -2.903017885e-02 5.56 -2.789266735e-02 -2.789266735e-02 5.58 -2.680734385e-02 -2.680734385e-02 5.60 -2.576954086e-02 -2.576954086e-02 5.62 -2.477486134e-02 -2.477486134e-02 5.64 -2.381918640e-02 -2.381918640e-02 5.66 -2.289867956e-02 -2.289867956e-02 5.68 -2.200978769e-02 -2.200978769e-02 5.70 -2.114923951e-02 -2.114923951e-02 5.72 -2.031404272e-02 -2.031404272e-02 5.74 -1.950148052e-02 -1.950148052e-02 5.76 -1.870910851e-02 -1.870910851e-02 5.78 -1.793475255e-02 -1.793475255e-02 5.80 -1.717650804e-02 -1.717650804e-02 5.82 -1.643274083e-02 -1.643274083e-02 5.84 -1.570208952e-02 -1.570208952e-02 5.86 -1.498346887e-02 -1.498346887e-02 5.88 -1.427607354e-02 -1.427607354e-02 5.90 -1.357938126e-02 -1.357938126e-02 5.92 -1.289315418e-02 -1.289315418e-02 5.94 -1.221742638e-02 -1.221742638e-02 5.96 -1.155245931e-02 -1.155245931e-02 5.98 -1.089884327e-02 -1.089884327e-02 6.00 -1.025742498e-02 -1.025742498e-02