# 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 = CoCu2Mg # 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 1.674506675e+02 1.674506675e+02 1.30 1.541852054e+02 1.541852054e+02 1.32 1.419653072e+02 1.419653072e+02 1.34 1.307016683e+02 1.307016683e+02 1.36 1.203147536e+02 1.203147536e+02 1.38 1.107338103e+02 1.107338103e+02 1.40 1.018951196e+02 1.018951196e+02 1.42 9.374050735e+01 9.374050735e+01 1.44 8.621610504e+01 8.621610504e+01 1.46 7.927150133e+01 7.927150133e+01 1.48 7.285958577e+01 7.285958577e+01 1.50 6.693689504e+01 6.693689504e+01 1.52 6.146391302e+01 6.146391302e+01 1.54 5.640502974e+01 5.640502974e+01 1.56 5.172866159e+01 5.172866159e+01 1.58 4.740514474e+01 4.740514474e+01 1.60 4.340747581e+01 4.340747581e+01 1.62 3.971133051e+01 3.971133051e+01 1.64 3.629478827e+01 3.629478827e+01 1.66 3.313793002e+01 3.313793002e+01 1.68 3.022234713e+01 3.022234713e+01 1.70 2.753072794e+01 2.753072794e+01 1.72 2.504655785e+01 2.504655785e+01 1.74 2.275396810e+01 2.275396810e+01 1.76 2.063779167e+01 2.063779167e+01 1.78 1.868380407e+01 1.868380407e+01 1.80 1.687899799e+01 1.687899799e+01 1.82 1.521172614e+01 1.521172614e+01 1.84 1.367163177e+01 1.367163177e+01 1.86 1.224942943e+01 1.224942943e+01 1.88 1.093664103e+01 1.093664103e+01 1.90 9.725380234e+00 9.725380234e+00 1.92 8.608224286e+00 8.608224286e+00 1.94 7.578182956e+00 7.578182956e+00 1.96 6.628738858e+00 6.628738858e+00 1.98 5.753911198e+00 5.753911198e+00 2.00 4.948286869e+00 4.948286869e+00 2.02 4.206992373e+00 4.206992373e+00 2.04 3.525615477e+00 3.525615477e+00 2.06 2.900104052e+00 2.900104052e+00 2.08 2.326673311e+00 2.326673311e+00 2.10 1.801742925e+00 1.801742925e+00 2.12 1.321907498e+00 1.321907498e+00 2.14 8.839296860e-01 8.839296860e-01 2.16 4.847432271e-01 4.847432271e-01 2.18 1.214533825e-01 1.214533825e-01 2.20 -2.086682374e-01 -2.086682374e-01 2.22 -5.081957787e-01 -5.081957787e-01 2.24 -7.795628668e-01 -7.795628668e-01 2.26 -1.025076467e+00 -1.025076467e+00 2.28 -1.246930739e+00 -1.246930739e+00 2.30 -1.447214870e+00 -1.447214870e+00 2.32 -1.627950213e+00 -1.627950213e+00 2.34 -1.790988426e+00 -1.790988426e+00 2.36 -1.937952867e+00 -1.937952867e+00 2.38 -2.070284290e+00 -2.070284290e+00 2.40 -2.189222872e+00 -2.189222872e+00 2.42 -2.295819292e+00 -2.295819292e+00 2.44 -2.390968530e+00 -2.390968530e+00 2.46 -2.475447843e+00 -2.475447843e+00 2.48 -2.550209315e+00 -2.550209315e+00 2.50 -2.615937253e+00 -2.615937253e+00 2.52 -2.672696050e+00 -2.672696050e+00 2.54 -2.720642457e+00 -2.720642457e+00 2.56 -2.760015595e+00 -2.760015595e+00 2.58 -2.791124097e+00 -2.791124097e+00 2.60 -2.814334711e+00 -2.814334711e+00 2.62 -2.830061619e+00 -2.830061619e+00 2.64 -2.838793930e+00 -2.838793930e+00 2.66 -2.841083896e+00 -2.841083896e+00 2.68 -2.837491320e+00 -2.837491320e+00 2.70 -2.828578820e+00 -2.828578820e+00 2.72 -2.814908067e+00 -2.814908067e+00 2.74 -2.797029597e+00 -2.797029597e+00 2.76 -2.775466304e+00 -2.775466304e+00 2.78 -2.750694591e+00 -2.750694591e+00 2.80 -2.723129878e+00 -2.723129878e+00 2.82 -2.693119155e+00 -2.693119155e+00 2.84 -2.660944593e+00 -2.660944593e+00 2.86 -2.626834099e+00 -2.626834099e+00 2.88 -2.590976051e+00 -2.590976051e+00 2.90 -2.553534440e+00 -2.553534440e+00 2.92 -2.514661932e+00 -2.514661932e+00 2.94 -2.474509709e+00 -2.474509709e+00 2.96 -2.433233918e+00 -2.433233918e+00 2.98 -2.390998959e+00 -2.390998959e+00 3.00 -2.347977883e+00 -2.347977883e+00 3.02 -2.304361528e+00 -2.304361528e+00 3.04 -2.260335232e+00 -2.260335232e+00 3.06 -2.216056118e+00 -2.216056118e+00 3.08 -2.171671604e+00 -2.171671604e+00 3.10 -2.127313112e+00 -2.127313112e+00 3.12 -2.083090565e+00 -2.083090565e+00 3.14 -2.039091321e+00 -2.039091321e+00 3.16 -1.995379797e+00 -1.995379797e+00 3.18 -1.951999167e+00 -1.951999167e+00 3.20 -1.908956252e+00 -1.908956252e+00 3.22 -1.866239567e+00 -1.866239567e+00 3.24 -1.823837722e+00 -1.823837722e+00 3.26 -1.781741805e+00 -1.781741805e+00 3.28 -1.739947104e+00 -1.739947104e+00 3.30 -1.698454149e+00 -1.698454149e+00 3.32 -1.657269062e+00 -1.657269062e+00 3.34 -1.616403287e+00 -1.616403287e+00 3.36 -1.575872862e+00 -1.575872862e+00 3.38 -1.535697446e+00 -1.535697446e+00 3.40 -1.495899239e+00 -1.495899239e+00 3.42 -1.456502153e+00 -1.456502153e+00 3.44 -1.417530554e+00 -1.417530554e+00 3.46 -1.379008530e+00 -1.379008530e+00 3.48 -1.340958910e+00 -1.340958910e+00 3.50 -1.303402377e+00 -1.303402377e+00 3.52 -1.266356675e+00 -1.266356675e+00 3.54 -1.229835990e+00 -1.229835990e+00 3.56 -1.193850557e+00 -1.193850557e+00 3.58 -1.158406567e+00 -1.158406567e+00 3.60 -1.123506414e+00 -1.123506414e+00 3.62 -1.089149298e+00 -1.089149298e+00 3.64 -1.055332192e+00 -1.055332192e+00 3.66 -1.022051159e+00 -1.022051159e+00 3.68 -9.893029638e-01 -9.893029638e-01 3.70 -9.570868951e-01 -9.570868951e-01 3.72 -9.254066458e-01 -9.254066458e-01 3.74 -8.942720579e-01 -8.942720579e-01 3.76 -8.637004757e-01 -8.637004757e-01 3.78 -8.337174317e-01 -8.337174317e-01 3.80 -8.043564110e-01 -8.043564110e-01 3.82 -7.756575260e-01 -7.756575260e-01 3.84 -7.476650820e-01 -7.476650820e-01 3.86 -7.204242153e-01 -7.204242153e-01 3.88 -6.939769754e-01 -6.939769754e-01 3.90 -6.683583706e-01 -6.683583706e-01 3.92 -6.435928360e-01 -6.435928360e-01 3.94 -6.196921599e-01 -6.196921599e-01 3.96 -5.966536664e-01 -5.966536664e-01 3.98 -5.744607444e-01 -5.744607444e-01 4.00 -5.530839497e-01 -5.530839497e-01 4.02 -5.324830356e-01 -5.324830356e-01 4.04 -5.126094309e-01 -5.126094309e-01 4.06 -4.934088378e-01 -4.934088378e-01 4.08 -4.748237055e-01 -4.748237055e-01 4.10 -4.567951707e-01 -4.567951707e-01 4.12 -4.392660915e-01 -4.392660915e-01 4.14 -4.221808605e-01 -4.221808605e-01 4.16 -4.054880453e-01 -4.054880453e-01 4.18 -3.891412462e-01 -3.891412462e-01 4.20 -3.731001653e-01 -3.731001653e-01 4.22 -3.573315681e-01 -3.573315681e-01 4.24 -3.418101279e-01 -3.418101279e-01 4.26 -3.265191163e-01 -3.265191163e-01 4.28 -3.114508916e-01 -3.114508916e-01 4.30 -2.966071293e-01 -2.966071293e-01 4.32 -2.819987530e-01 -2.819987530e-01 4.34 -2.676455291e-01 -2.676455291e-01 4.36 -2.535753046e-01 -2.535753046e-01 4.38 -2.398228663e-01 -2.398228663e-01 4.40 -2.264284114e-01 -2.264284114e-01 4.42 -2.134356372e-01 -2.134356372e-01 4.44 -2.008894939e-01 -2.008894939e-01 4.46 -1.888337054e-01 -1.888337054e-01 4.48 -1.773082218e-01 -1.773082218e-01 4.50 -1.663468202e-01 -1.663468202e-01 4.52 -1.559750822e-01 -1.559750822e-01 4.54 -1.462089500e-01 -1.462089500e-01 4.56 -1.370539898e-01 -1.370539898e-01 4.58 -1.285053994e-01 -1.285053994e-01 4.60 -1.205486995e-01 -1.205486995e-01 4.62 -1.131609740e-01 -1.131609740e-01 4.64 -1.063124818e-01 -1.063124818e-01 4.66 -9.996841903e-02 -9.996841903e-02 4.68 -9.409073846e-02 -9.409073846e-02 4.70 -8.863983079e-02 -8.863983079e-02 4.72 -8.357545821e-02 -8.357545821e-02 4.74 -7.885856739e-02 -7.885856739e-02 4.76 -7.445360974e-02 -7.445360974e-02 4.78 -7.032743082e-02 -7.032743082e-02 4.80 -6.644974865e-02 -6.644974865e-02 4.82 -6.279448865e-02 -6.279448865e-02 4.84 -5.933868114e-02 -5.933868114e-02 4.86 -5.606347486e-02 -5.606347486e-02 4.88 -5.295378954e-02 -5.295378954e-02 4.90 -4.999807304e-02 -4.999807304e-02 4.92 -4.718792476e-02 -4.718792476e-02 4.94 -4.451757551e-02 -4.451757551e-02 4.96 -4.198334349e-02 -4.198334349e-02 4.98 -3.958300770e-02 -3.958300770e-02 5.00 -3.731512680e-02 -3.731512680e-02 5.02 -3.517843608e-02 -3.517843608e-02 5.04 -3.317133493e-02 -3.317133493e-02 5.06 -3.129150202e-02 -3.129150202e-02 5.08 -2.953565779e-02 -2.953565779e-02 5.10 -2.789947495e-02 -2.789947495e-02 5.12 -2.637761937e-02 -2.637761937e-02 5.14 -2.496389236e-02 -2.496389236e-02 5.16 -2.365143910e-02 -2.365143910e-02 5.18 -2.243298789e-02 -2.243298789e-02 5.20 -2.130109061e-02 -2.130109061e-02 5.22 -2.024834254e-02 -2.024834254e-02 5.24 -1.926756788e-02 -1.926756788e-02 5.26 -1.835196496e-02 -1.835196496e-02 5.28 -1.749521055e-02 -1.749521055e-02 5.30 -1.669152662e-02 -1.669152662e-02 5.32 -1.593571486e-02 -1.593571486e-02 5.34 -1.522316479e-02 -1.522316479e-02 5.36 -1.454984103e-02 -1.454984103e-02 5.38 -1.391224079e-02 -1.391224079e-02 5.40 -1.330735102e-02 -1.330735102e-02 5.42 -1.273265484e-02 -1.273265484e-02 5.44 -1.218603502e-02 -1.218603502e-02 5.46 -1.166571279e-02 -1.166571279e-02 5.48 -1.117018727e-02 -1.117018727e-02 5.50 -1.069817577e-02 -1.069817577e-02 5.52 -1.024855748e-02 -1.024855748e-02 5.54 -9.820322798e-03 -9.820322798e-03 5.56 -9.412530338e-03 -9.412530338e-03 5.58 -9.024272904e-03 -9.024272904e-03 5.60 -8.654652988e-03 -8.654652988e-03 5.62 -8.302767520e-03 -8.302767520e-03 5.64 -7.967700884e-03 -7.967700884e-03 5.66 -7.648524634e-03 -7.648524634e-03 5.68 -7.344302108e-03 -7.344302108e-03 5.70 -7.054096087e-03 -7.054096087e-03 5.72 -6.776977841e-03 -6.776977841e-03 5.74 -6.512036235e-03 -6.512036235e-03 5.76 -6.258385936e-03 -6.258385936e-03 5.78 -6.015174163e-03 -6.015174163e-03 5.80 -5.781585724e-03 -5.781585724e-03 5.82 -5.556846378e-03 -5.556846378e-03 5.84 -5.340224691e-03 -5.340224691e-03 5.86 -5.131032695e-03 -5.131032695e-03 5.88 -4.928625697e-03 -4.928625697e-03 5.90 -4.732401567e-03 -4.732401567e-03 5.92 -4.541799861e-03 -4.541799861e-03 5.94 -4.356301037e-03 -4.356301037e-03 5.96 -4.175426012e-03 -4.175426012e-03 5.98 -3.998736258e-03 -3.998736258e-03 6.00 -3.825834534e-03 -3.825834534e-03