# 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 = CoCuW2 # 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 2.614807142e+02 2.614807142e+02 1.30 2.402912408e+02 2.402912408e+02 1.32 2.208169446e+02 2.208169446e+02 1.34 2.029059546e+02 2.029059546e+02 1.36 1.864151837e+02 1.864151837e+02 1.38 1.712121653e+02 1.712121653e+02 1.40 1.571779492e+02 1.571779492e+02 1.42 1.442090012e+02 1.442090012e+02 1.44 1.322165967e+02 1.322165967e+02 1.46 1.211241878e+02 1.211241878e+02 1.48 1.108644073e+02 1.108644073e+02 1.50 1.013768555e+02 1.013768555e+02 1.52 9.260677242e+01 9.260677242e+01 1.54 8.450420427e+01 8.450420427e+01 1.56 7.702332792e+01 7.702332792e+01 1.58 7.012181741e+01 7.012181741e+01 1.60 6.376029641e+01 6.376029641e+01 1.62 5.790189640e+01 5.790189640e+01 1.64 5.251185841e+01 5.251185841e+01 1.66 4.755715458e+01 4.755715458e+01 1.68 4.300618151e+01 4.300618151e+01 1.70 3.882853394e+01 3.882853394e+01 1.72 3.499480320e+01 3.499480320e+01 1.74 3.147641915e+01 3.147641915e+01 1.76 2.824566941e+01 2.824566941e+01 1.78 2.527614403e+01 2.527614403e+01 1.80 2.254425203e+01 2.254425203e+01 1.82 2.002773040e+01 2.002773040e+01 1.84 1.770682527e+01 1.770682527e+01 1.86 1.556485758e+01 1.556485758e+01 1.88 1.358861407e+01 1.358861407e+01 1.90 1.176657646e+01 1.176657646e+01 1.92 1.008879475e+01 1.008879475e+01 1.94 8.546440874e+00 8.546440874e+00 1.96 7.131344712e+00 7.131344712e+00 1.98 5.835704443e+00 5.835704443e+00 2.00 4.651928659e+00 4.651928659e+00 2.02 3.572548689e+00 3.572548689e+00 2.04 2.590157711e+00 2.590157711e+00 2.06 1.697366442e+00 1.697366442e+00 2.08 8.867937698e-01 8.867937698e-01 2.10 1.511172561e-01 1.511172561e-01 2.12 -5.168079586e-01 -5.168079586e-01 2.14 -1.123779119e+00 -1.123779119e+00 2.16 -1.676062951e+00 -1.676062951e+00 2.18 -2.179245770e+00 -2.179245770e+00 2.20 -2.638153704e+00 -2.638153704e+00 2.22 -3.056858480e+00 -3.056858480e+00 2.24 -3.438758926e+00 -3.438758926e+00 2.26 -3.786710374e+00 -3.786710374e+00 2.28 -4.103168145e+00 -4.103168145e+00 2.30 -4.390315240e+00 -4.390315240e+00 2.32 -4.650153958e+00 -4.650153958e+00 2.34 -4.884554265e+00 -4.884554265e+00 2.36 -5.095216242e+00 -5.095216242e+00 2.38 -5.283607826e+00 -5.283607826e+00 2.40 -5.451412998e+00 -5.451412998e+00 2.42 -5.600176393e+00 -5.600176393e+00 2.44 -5.731279067e+00 -5.731279067e+00 2.46 -5.845966560e+00 -5.845966560e+00 2.48 -5.945372432e+00 -5.945372432e+00 2.50 -6.030533343e+00 -6.030533343e+00 2.52 -6.102170482e+00 -6.102170482e+00 2.54 -6.160471053e+00 -6.160471053e+00 2.56 -6.205635483e+00 -6.205635483e+00 2.58 -6.237936189e+00 -6.237936189e+00 2.60 -6.257696974e+00 -6.257696974e+00 2.62 -6.265275284e+00 -6.265275284e+00 2.64 -6.261046797e+00 -6.261046797e+00 2.66 -6.245394603e+00 -6.245394603e+00 2.68 -6.218704923e+00 -6.218704923e+00 2.70 -6.181368492e+00 -6.181368492e+00 2.72 -6.133784162e+00 -6.133784162e+00 2.74 -6.076361198e+00 -6.076361198e+00 2.76 -6.009528463e+00 -6.009528463e+00 2.78 -5.933749395e+00 -5.933749395e+00 2.80 -5.849428175e+00 -5.849428175e+00 2.82 -5.756982888e+00 -5.756982888e+00 2.84 -5.656866265e+00 -5.656866265e+00 2.86 -5.549580565e+00 -5.549580565e+00 2.88 -5.435695498e+00 -5.435695498e+00 2.90 -5.315989129e+00 -5.315989129e+00 2.92 -5.191287976e+00 -5.191287976e+00 2.94 -5.062214320e+00 -5.062214320e+00 2.96 -4.929478194e+00 -4.929478194e+00 2.98 -4.793909431e+00 -4.793909431e+00 3.00 -4.656424913e+00 -4.656424913e+00 3.02 -4.517977874e+00 -4.517977874e+00 3.04 -4.379500955e+00 -4.379500955e+00 3.06 -4.241853618e+00 -4.241853618e+00 3.08 -4.105792687e+00 -4.105792687e+00 3.10 -3.971912782e+00 -3.971912782e+00 3.12 -3.840615380e+00 -3.840615380e+00 3.14 -3.712105736e+00 -3.712105736e+00 3.16 -3.586406149e+00 -3.586406149e+00 3.18 -3.463381922e+00 -3.463381922e+00 3.20 -3.342775622e+00 -3.342775622e+00 3.22 -3.224245376e+00 -3.224245376e+00 3.24 -3.107403811e+00 -3.107403811e+00 3.26 -2.991855255e+00 -2.991855255e+00 3.28 -2.877229710e+00 -2.877229710e+00 3.30 -2.763212717e+00 -2.763212717e+00 3.32 -2.649570471e+00 -2.649570471e+00 3.34 -2.536169621e+00 -2.536169621e+00 3.36 -2.422991056e+00 -2.422991056e+00 3.38 -2.310136950e+00 -2.310136950e+00 3.40 -2.197830344e+00 -2.197830344e+00 3.42 -2.086406832e+00 -2.086406832e+00 3.44 -1.976298396e+00 -1.976298396e+00 3.46 -1.868010132e+00 -1.868010132e+00 3.48 -1.762091393e+00 -1.762091393e+00 3.50 -1.659103641e+00 -1.659103641e+00 3.52 -1.559587783e+00 -1.559587783e+00 3.54 -1.464033924e+00 -1.464033924e+00 3.56 -1.372856200e+00 -1.372856200e+00 3.58 -1.286374649e+00 -1.286374649e+00 3.60 -1.204805138e+00 -1.204805138e+00 3.62 -1.128257394e+00 -1.128257394e+00 3.64 -1.056740235e+00 -1.056740235e+00 3.66 -9.901724988e-01 -9.901724988e-01 3.68 -9.283978335e-01 -9.283978335e-01 3.70 -8.712014656e-01 -8.712014656e-01 3.72 -8.183272784e-01 -8.183272784e-01 3.74 -7.694938593e-01 -7.694938593e-01 3.76 -7.244085593e-01 -7.244085593e-01 3.78 -6.827789835e-01 -6.827789835e-01 3.80 -6.443216600e-01 -6.443216600e-01 3.82 -6.087679109e-01 -6.087679109e-01 3.84 -5.758671708e-01 -5.758671708e-01 3.86 -5.453881685e-01 -5.453881685e-01 3.88 -5.171185009e-01 -5.171185009e-01 3.90 -4.908631717e-01 -4.908631717e-01 3.92 -4.664426431e-01 -4.664426431e-01 3.94 -4.436908472e-01 -4.436908472e-01 3.96 -4.224534647e-01 -4.224534647e-01 3.98 -4.025866223e-01 -4.025866223e-01 4.00 -3.839560254e-01 -3.839560254e-01 4.02 -3.664364527e-01 -3.664364527e-01 4.04 -3.499114986e-01 -3.499114986e-01 4.06 -3.342734518e-01 -3.342734518e-01 4.08 -3.194232254e-01 -3.194232254e-01 4.10 -3.052702930e-01 -3.052702930e-01 4.12 -2.917326179e-01 -2.917326179e-01 4.14 -2.787365844e-01 -2.787365844e-01 4.16 -2.662168763e-01 -2.662168763e-01 4.18 -2.541164721e-01 -2.541164721e-01 4.20 -2.423870038e-01 -2.423870038e-01 4.22 -2.309883961e-01 -2.309883961e-01 4.24 -2.198888756e-01 -2.198888756e-01 4.26 -2.090649123e-01 -2.090649123e-01 4.28 -1.985010255e-01 -1.985010255e-01 4.30 -1.881894236e-01 -1.881894236e-01 4.32 -1.781294665e-01 -1.781294665e-01 4.34 -1.683269467e-01 -1.683269467e-01 4.36 -1.587931996e-01 -1.587931996e-01 4.38 -1.495439534e-01 -1.495439534e-01 4.40 -1.405982322e-01 -1.405982322e-01 4.42 -1.319772030e-01 -1.319772030e-01 4.44 -1.237024153e-01 -1.237024153e-01 4.46 -1.157942645e-01 -1.157942645e-01 4.48 -1.082704785e-01 -1.082704785e-01 4.50 -1.011447353e-01 -1.011447353e-01 4.52 -9.442553976e-02 -9.442553976e-02 4.54 -8.811546530e-02 -8.811546530e-02 4.56 -8.221082814e-02 -8.221082814e-02 4.58 -7.670180591e-02 -7.670180591e-02 4.60 -7.157295676e-02 -7.157295676e-02 4.62 -6.680405357e-02 -6.680405357e-02 4.64 -6.237112482e-02 -6.237112482e-02 4.66 -5.824759188e-02 -5.824759188e-02 4.68 -5.440540684e-02 -5.440540684e-02 4.70 -5.081611946e-02 -5.081611946e-02 4.72 -4.745182837e-02 -4.745182837e-02 4.74 -4.428599598e-02 -4.428599598e-02 4.76 -4.129412419e-02 -4.129412419e-02 4.78 -3.845429754e-02 -3.845429754e-02 4.80 -3.574760353e-02 -3.574760353e-02 4.82 -3.315843647e-02 -3.315843647e-02 4.84 -3.067468224e-02 -3.067468224e-02 4.86 -2.828777862e-02 -2.828777862e-02 4.88 -2.599263537e-02 -2.599263537e-02 4.90 -2.378740038e-02 -2.378740038e-02 4.92 -2.167306421e-02 -2.167306421e-02 4.94 -1.965290900e-02 -1.965290900e-02 4.96 -1.773180893e-02 -1.773180893e-02 4.98 -1.591524162e-02 -1.591524162e-02 5.00 -1.420904987e-02 -1.420904987e-02 5.02 -1.261848391e-02 -1.261848391e-02 5.04 -1.114745002e-02 -1.114745002e-02 5.06 -9.798066457e-03 -9.798066457e-03 5.08 -8.570421415e-03 -8.570421415e-03 5.10 -7.462533336e-03 -7.462533336e-03 5.12 -6.470488952e-03 -6.470488952e-03 5.14 -5.588716284e-03 -5.588716284e-03 5.16 -4.810341753e-03 -4.810341753e-03 5.18 -4.127581460e-03 -4.127581460e-03 5.20 -3.532124488e-03 -3.532124488e-03 5.22 -3.015477584e-03 -3.015477584e-03 5.24 -2.569252765e-03 -2.569252765e-03 5.26 -2.185390303e-03 -2.185390303e-03 5.28 -1.856317859e-03 -1.856317859e-03 5.30 -1.575052061e-03 -1.575052061e-03 5.32 -1.335251795e-03 -1.335251795e-03 5.34 -1.131233460e-03 -1.131233460e-03 5.36 -9.579580697e-04 -9.579580697e-04 5.38 -8.109989222e-04 -8.109989222e-04 5.40 -6.864970495e-04 -6.864970495e-04 5.42 -5.811100769e-04 -5.811100769e-04 5.44 -4.919586867e-04 -4.919586867e-04 5.46 -4.165736317e-04 -4.165736317e-04 5.48 -3.528452522e-04 -3.528452522e-04 5.50 -2.989766753e-04 -2.989766753e-04 5.52 -2.534413122e-04 -2.534413122e-04 5.54 -2.149448649e-04 -2.149448649e-04 5.56 -1.823917853e-04 -1.823917853e-04 5.58 -1.548559556e-04 -1.548559556e-04 5.60 -1.315552656e-04 -1.315552656e-04 5.62 -1.118297081e-04 -1.118297081e-04 5.64 -9.512260634e-05 -9.512260634e-05 5.66 -8.096459277e-05 -8.096459277e-05 5.68 -6.895998379e-05 -6.895998379e-05 5.70 -5.877522420e-05 -5.877522420e-05 5.72 -5.012910919e-05 -5.012910919e-05 5.74 -4.278452511e-05 -4.278452511e-05 5.76 -3.654148296e-05 -3.654148296e-05 5.78 -3.123124866e-05 -3.123124866e-05 5.80 -2.671140152e-05 -2.671140152e-05 5.82 -2.286167636e-05 -2.286167636e-05 5.84 -1.958046663e-05 -1.958046663e-05 5.86 -1.678188380e-05 -1.678188380e-05 5.88 -1.439328497e-05 -1.439328497e-05 5.90 -1.235319389e-05 -1.235319389e-05 5.92 -1.060955269e-05 -1.060955269e-05 5.94 -9.118251232e-06 -9.118251232e-06 5.96 -7.841889692e-06 -7.841889692e-06 5.98 -6.748737031e-06 -6.748737031e-06 6.00 -5.811853919e-06 -5.811853919e-06