# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cu-Ni-Co # implementation = 2025--Sharifi-H--Cu-Ni-Co--LAMMPS--ipr1 # composition = CoCuNi2 # 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 2025-07-01 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 7.527051087e+02 7.527051087e+02 1.00 7.013070380e+02 7.013070380e+02 1.02 6.525019071e+02 6.525019071e+02 1.04 6.059963101e+02 6.059963101e+02 1.06 5.616370240e+02 5.616370240e+02 1.08 5.193579348e+02 5.193579348e+02 1.10 4.791423493e+02 4.791423493e+02 1.12 4.409969377e+02 4.409969377e+02 1.14 4.049343193e+02 4.049343193e+02 1.16 3.709620274e+02 3.709620274e+02 1.18 3.390760876e+02 3.390760876e+02 1.20 3.092578544e+02 3.092578544e+02 1.22 2.814731054e+02 2.814731054e+02 1.24 2.556726223e+02 2.556726223e+02 1.26 2.317937064e+02 2.317937064e+02 1.28 2.097622174e+02 2.097622174e+02 1.30 1.894948425e+02 1.894948425e+02 1.32 1.709013991e+02 1.709013991e+02 1.34 1.538870351e+02 1.538870351e+02 1.36 1.383542418e+02 1.383542418e+02 1.38 1.242046351e+02 1.242046351e+02 1.40 1.113404824e+02 1.113404824e+02 1.42 9.966597295e+01 9.966597295e+01 1.44 8.908824250e+01 8.908824250e+01 1.46 7.951816960e+01 7.951816960e+01 1.48 7.087096639e+01 7.087096639e+01 1.50 6.306658794e+01 6.306658794e+01 1.52 5.602998666e+01 5.602998666e+01 1.54 4.969123461e+01 4.969123461e+01 1.56 4.398553743e+01 4.398553743e+01 1.58 3.885316301e+01 3.885316301e+01 1.60 3.423931717e+01 3.423931717e+01 1.62 3.009393187e+01 3.009393187e+01 1.64 2.637134323e+01 2.637134323e+01 1.66 2.302995250e+01 2.302995250e+01 1.68 2.003197658e+01 2.003197658e+01 1.70 1.734320125e+01 1.734320125e+01 1.72 1.493272831e+01 1.493272831e+01 1.74 1.277272281e+01 1.277272281e+01 1.76 1.083814372e+01 1.083814372e+01 1.78 9.106451376e+00 9.106451376e+00 1.80 7.557375815e+00 7.557375815e+00 1.82 6.172709994e+00 6.172709994e+00 1.84 4.936058192e+00 4.936058192e+00 1.86 3.832599499e+00 3.832599499e+00 1.88 2.848934493e+00 2.848934493e+00 1.90 1.972953375e+00 1.972953375e+00 1.92 1.193716009e+00 1.193716009e+00 1.94 5.013428983e-01 5.013428983e-01 1.96 -1.130836507e-01 -1.130836507e-01 1.98 -6.576095615e-01 -6.576095615e-01 2.00 -1.139490671e+00 -1.139490671e+00 2.02 -1.565257661e+00 -1.565257661e+00 2.04 -1.940733396e+00 -1.940733396e+00 2.06 -2.271144665e+00 -2.271144665e+00 2.08 -2.561206066e+00 -2.561206066e+00 2.10 -2.815167779e+00 -2.815167779e+00 2.12 -3.036858829e+00 -3.036858829e+00 2.14 -3.229726519e+00 -3.229726519e+00 2.16 -3.396872327e+00 -3.396872327e+00 2.18 -3.541084353e+00 -3.541084353e+00 2.20 -3.664866876e+00 -3.664866876e+00 2.22 -3.770467729e+00 -3.770467729e+00 2.24 -3.859902872e+00 -3.859902872e+00 2.26 -3.934978723e+00 -3.934978723e+00 2.28 -3.997312231e+00 -3.997312231e+00 2.30 -4.048278826e+00 -4.048278826e+00 2.32 -4.088937227e+00 -4.088937227e+00 2.34 -4.120217978e+00 -4.120217978e+00 2.36 -4.142973479e+00 -4.142973479e+00 2.38 -4.157985206e+00 -4.157985206e+00 2.40 -4.165969514e+00 -4.165969514e+00 2.42 -4.167582991e+00 -4.167582991e+00 2.44 -4.163427365e+00 -4.163427365e+00 2.46 -4.154054009e+00 -4.154054009e+00 2.48 -4.139968091e+00 -4.139968091e+00 2.50 -4.121632376e+00 -4.121632376e+00 2.52 -4.099470722e+00 -4.099470722e+00 2.54 -4.073871297e+00 -4.073871297e+00 2.56 -4.045189521e+00 -4.045189521e+00 2.58 -4.013750781e+00 -4.013750781e+00 2.60 -3.979852916e+00 -3.979852916e+00 2.62 -3.943768503e+00 -3.943768503e+00 2.64 -3.905746953e+00 -3.905746953e+00 2.66 -3.866016438e+00 -3.866016438e+00 2.68 -3.824785656e+00 -3.824785656e+00 2.70 -3.782245457e+00 -3.782245457e+00 2.72 -3.738570328e+00 -3.738570328e+00 2.74 -3.693919762e+00 -3.693919762e+00 2.76 -3.648439512e+00 -3.648439512e+00 2.78 -3.602262735e+00 -3.602262735e+00 2.80 -3.555511055e+00 -3.555511055e+00 2.82 -3.508295524e+00 -3.508295524e+00 2.84 -3.460717512e+00 -3.460717512e+00 2.86 -3.412869518e+00 -3.412869518e+00 2.88 -3.364835918e+00 -3.364835918e+00 2.90 -3.316693645e+00 -3.316693645e+00 2.92 -3.268512818e+00 -3.268512818e+00 2.94 -3.220357316e+00 -3.220357316e+00 2.96 -3.172285301e+00 -3.172285301e+00 2.98 -3.124349700e+00 -3.124349700e+00 3.00 -3.076598647e+00 -3.076598647e+00 3.02 -3.029075889e+00 -3.029075889e+00 3.04 -2.981821149e+00 -2.981821149e+00 3.06 -2.934870470e+00 -2.934870470e+00 3.08 -2.888256522e+00 -2.888256522e+00 3.10 -2.842008883e+00 -2.842008883e+00 3.12 -2.796154301e+00 -2.796154301e+00 3.14 -2.750716923e+00 -2.750716923e+00 3.16 -2.705718516e+00 -2.705718516e+00 3.18 -2.661178660e+00 -2.661178660e+00 3.20 -2.617114928e+00 -2.617114928e+00 3.22 -2.573543045e+00 -2.573543045e+00 3.24 -2.530477040e+00 -2.530477040e+00 3.26 -2.487929380e+00 -2.487929380e+00 3.28 -2.445911089e+00 -2.445911089e+00 3.30 -2.404431865e+00 -2.404431865e+00 3.32 -2.363500179e+00 -2.363500179e+00 3.34 -2.323123365e+00 -2.323123365e+00 3.36 -2.283307710e+00 -2.283307710e+00 3.38 -2.244058525e+00 -2.244058525e+00 3.40 -2.205380216e+00 -2.205380216e+00 3.42 -2.167276348e+00 -2.167276348e+00 3.44 -2.129749700e+00 -2.129749700e+00 3.46 -2.092802317e+00 -2.092802317e+00 3.48 -2.056435556e+00 -2.056435556e+00 3.50 -2.020650124e+00 -2.020650124e+00 3.52 -1.985446119e+00 -1.985446119e+00 3.54 -1.950823057e+00 -1.950823057e+00 3.56 -1.916779902e+00 -1.916779902e+00 3.58 -1.883315091e+00 -1.883315091e+00 3.60 -1.850426551e+00 -1.850426551e+00 3.62 -1.818111718e+00 -1.818111718e+00 3.64 -1.786367554e+00 -1.786367554e+00 3.66 -1.755190550e+00 -1.755190550e+00 3.68 -1.724576741e+00 -1.724576741e+00 3.70 -1.694521709e+00 -1.694521709e+00 3.72 -1.665020585e+00 -1.665020585e+00 3.74 -1.636068052e+00 -1.636068052e+00 3.76 -1.607658343e+00 -1.607658343e+00 3.78 -1.579785237e+00 -1.579785237e+00 3.80 -1.552442056e+00 -1.552442056e+00 3.82 -1.525621660e+00 -1.525621660e+00 3.84 -1.499316435e+00 -1.499316435e+00 3.86 -1.473518294e+00 -1.473518294e+00 3.88 -1.448218662e+00 -1.448218662e+00 3.90 -1.423408469e+00 -1.423408469e+00 3.92 -1.399078149e+00 -1.399078149e+00 3.94 -1.375217627e+00 -1.375217627e+00 3.96 -1.351816320e+00 -1.351816320e+00 3.98 -1.328863133e+00 -1.328863133e+00 4.00 -1.306346464e+00 -1.306346464e+00 4.02 -1.284254206e+00 -1.284254206e+00 4.04 -1.262573765e+00 -1.262573765e+00 4.06 -1.241292070e+00 -1.241292070e+00 4.08 -1.220395607e+00 -1.220395607e+00 4.10 -1.199870441e+00 -1.199870441e+00 4.12 -1.179702269e+00 -1.179702269e+00 4.14 -1.159876462e+00 -1.159876462e+00 4.16 -1.140378134e+00 -1.140378134e+00 4.18 -1.121192212e+00 -1.121192212e+00 4.20 -1.102303520e+00 -1.102303520e+00 4.22 -1.083696877e+00 -1.083696877e+00 4.24 -1.065357201e+00 -1.065357201e+00 4.26 -1.047304968e+00 -1.047304968e+00 4.28 -1.030232190e+00 -1.030232190e+00 4.30 -1.015641762e+00 -1.015641762e+00 4.32 -1.001881759e+00 -1.001881759e+00 4.34 -9.851565045e-01 -9.851565045e-01 4.36 -9.681500057e-01 -9.681500057e-01 4.38 -9.513053157e-01 -9.513053157e-01 4.40 -9.346136405e-01 -9.346136405e-01 4.42 -9.180673901e-01 -9.180673901e-01 4.44 -9.016602612e-01 -9.016602612e-01 4.46 -8.853872987e-01 -8.853872987e-01 4.48 -8.692449317e-01 -8.692449317e-01 4.50 -8.532309827e-01 -8.532309827e-01 4.52 -8.373446478e-01 -8.373446478e-01 4.54 -8.215864487e-01 -8.215864487e-01 4.56 -8.059581562e-01 -8.059581562e-01 4.58 -7.904626888e-01 -7.904626888e-01 4.60 -7.751039866e-01 -7.751039866e-01 4.62 -7.598868684e-01 -7.598868684e-01 4.64 -7.448168723e-01 -7.448168723e-01 4.66 -7.299000884e-01 -7.299000884e-01 4.68 -7.151429867e-01 -7.151429867e-01 4.70 -7.005522467e-01 -7.005522467e-01 4.72 -6.861345933e-01 -6.861345933e-01 4.74 -6.718966427e-01 -6.718966427e-01 4.76 -6.578447640e-01 -6.578447640e-01 4.78 -6.439849570e-01 -6.439849570e-01 4.80 -6.303227511e-01 -6.303227511e-01 4.82 -6.168631234e-01 -6.168631234e-01 4.84 -6.036104390e-01 -6.036104390e-01 4.86 -5.905684117e-01 -5.905684117e-01 4.88 -5.777400837e-01 -5.777400837e-01 4.90 -5.651278237e-01 -5.651278237e-01 4.92 -5.513290682e-01 -5.513290682e-01 4.94 -5.186755785e-01 -5.186755785e-01 4.96 -4.230330449e-01 -4.230330449e-01 4.98 -2.184499926e-01 -2.184499926e-01 5.00 -9.905064044e-23 -9.904732188e-23 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00