# 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 = Ag2CoMg # 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 2.562750025e+02 2.562750025e+02 1.30 2.367779680e+02 2.367779680e+02 1.32 2.187818170e+02 2.187818170e+02 1.34 2.021634294e+02 2.021634294e+02 1.36 1.868106943e+02 1.868106943e+02 1.38 1.726219159e+02 1.726219159e+02 1.40 1.595046541e+02 1.595046541e+02 1.42 1.473743166e+02 1.473743166e+02 1.44 1.361528529e+02 1.361528529e+02 1.46 1.257679902e+02 1.257679902e+02 1.48 1.161532147e+02 1.161532147e+02 1.50 1.072480372e+02 1.072480372e+02 1.52 9.899784664e+01 9.899784664e+01 1.54 9.135319149e+01 9.135319149e+01 1.56 8.426890313e+01 8.426890313e+01 1.58 7.770342032e+01 7.770342032e+01 1.60 7.161849554e+01 7.161849554e+01 1.62 6.598142245e+01 6.598142245e+01 1.64 6.076016903e+01 6.076016903e+01 1.66 5.592346684e+01 5.592346684e+01 1.68 5.144220465e+01 5.144220465e+01 1.70 4.728947126e+01 4.728947126e+01 1.72 4.344058881e+01 4.344058881e+01 1.74 3.987300058e+01 3.987300058e+01 1.76 3.656603789e+01 3.656603789e+01 1.78 3.350069943e+01 3.350069943e+01 1.80 3.065951767e+01 3.065951767e+01 1.82 2.802647634e+01 2.802647634e+01 1.84 2.558690125e+01 2.558690125e+01 1.86 2.332730476e+01 2.332730476e+01 1.88 2.123519742e+01 2.123519742e+01 1.90 1.929890322e+01 1.929890322e+01 1.92 1.750740815e+01 1.750740815e+01 1.94 1.585027211e+01 1.585027211e+01 1.96 1.431761484e+01 1.431761484e+01 1.98 1.290015798e+01 1.290015798e+01 2.00 1.158928273e+01 1.158928273e+01 2.02 1.037706749e+01 1.037706749e+01 2.04 9.256285421e+00 9.256285421e+00 2.06 8.220355848e+00 8.220355848e+00 2.08 7.263260765e+00 7.263260765e+00 2.10 6.379451992e+00 6.379451992e+00 2.12 5.563772074e+00 5.563772074e+00 2.14 4.811400867e+00 4.811400867e+00 2.16 4.117828253e+00 4.117828253e+00 2.18 3.478844097e+00 3.478844097e+00 2.20 2.890536950e+00 2.890536950e+00 2.22 2.349290234e+00 2.349290234e+00 2.24 1.851772739e+00 1.851772739e+00 2.26 1.394922051e+00 1.394922051e+00 2.28 9.759221139e-01 9.759221139e-01 2.30 5.921796318e-01 5.921796318e-01 2.32 2.412970794e-01 2.412970794e-01 2.34 -7.895060703e-02 -7.895060703e-02 2.36 -3.706392113e-01 -3.706392113e-01 2.38 -6.357142283e-01 -6.357142283e-01 2.40 -8.760223012e-01 -8.760223012e-01 2.42 -1.093328194e+00 -1.093328194e+00 2.44 -1.289228437e+00 -1.289228437e+00 2.46 -1.465245971e+00 -1.465245971e+00 2.48 -1.622842398e+00 -1.622842398e+00 2.50 -1.763419885e+00 -1.763419885e+00 2.52 -1.888322170e+00 -1.888322170e+00 2.54 -1.998836524e+00 -1.998836524e+00 2.56 -2.096184916e+00 -2.096184916e+00 2.58 -2.181477811e+00 -2.181477811e+00 2.60 -2.255767318e+00 -2.255767318e+00 2.62 -2.320059657e+00 -2.320059657e+00 2.64 -2.375294894e+00 -2.375294894e+00 2.66 -2.422324361e+00 -2.422324361e+00 2.68 -2.461896609e+00 -2.461896609e+00 2.70 -2.494710188e+00 -2.494710188e+00 2.72 -2.521479069e+00 -2.521479069e+00 2.74 -2.542471971e+00 -2.542471971e+00 2.76 -2.557906019e+00 -2.557906019e+00 2.78 -2.568001952e+00 -2.568001952e+00 2.80 -2.572988127e+00 -2.572988127e+00 2.82 -2.573100881e+00 -2.573100881e+00 2.84 -2.568584359e+00 -2.568584359e+00 2.86 -2.559690198e+00 -2.559690198e+00 2.88 -2.546687400e+00 -2.546687400e+00 2.90 -2.529851673e+00 -2.529851673e+00 2.92 -2.509457516e+00 -2.509457516e+00 2.94 -2.485780329e+00 -2.485780329e+00 2.96 -2.459099712e+00 -2.459099712e+00 2.98 -2.429703220e+00 -2.429703220e+00 3.00 -2.397889372e+00 -2.397889372e+00 3.02 -2.363968398e+00 -2.363968398e+00 3.04 -2.328259148e+00 -2.328259148e+00 3.06 -2.291082737e+00 -2.291082737e+00 3.08 -2.252750637e+00 -2.252750637e+00 3.10 -2.213554203e+00 -2.213554203e+00 3.12 -2.173768967e+00 -2.173768967e+00 3.14 -2.133606436e+00 -2.133606436e+00 3.16 -2.093227342e+00 -2.093227342e+00 3.18 -2.052756503e+00 -2.052756503e+00 3.20 -2.012287543e+00 -2.012287543e+00 3.22 -1.971889810e+00 -1.971889810e+00 3.24 -1.931615724e+00 -1.931615724e+00 3.26 -1.891507401e+00 -1.891507401e+00 3.28 -1.851597818e+00 -1.851597818e+00 3.30 -1.811896827e+00 -1.811896827e+00 3.32 -1.772411692e+00 -1.772411692e+00 3.34 -1.733156929e+00 -1.733156929e+00 3.36 -1.694152955e+00 -1.694152955e+00 3.38 -1.655424529e+00 -1.655424529e+00 3.40 -1.616999231e+00 -1.616999231e+00 3.42 -1.578906379e+00 -1.578906379e+00 3.44 -1.541175818e+00 -1.541175818e+00 3.46 -1.503837356e+00 -1.503837356e+00 3.48 -1.466920092e+00 -1.466920092e+00 3.50 -1.430451861e+00 -1.430451861e+00 3.52 -1.394458703e+00 -1.394458703e+00 3.54 -1.358964379e+00 -1.358964379e+00 3.56 -1.323989950e+00 -1.323989950e+00 3.58 -1.289553438e+00 -1.289553438e+00 3.60 -1.255669606e+00 -1.255669606e+00 3.62 -1.222349856e+00 -1.222349856e+00 3.64 -1.189602262e+00 -1.189602262e+00 3.66 -1.157431734e+00 -1.157431734e+00 3.68 -1.125840308e+00 -1.125840308e+00 3.70 -1.094827535e+00 -1.094827535e+00 3.72 -1.064390961e+00 -1.064390961e+00 3.74 -1.034526657e+00 -1.034526657e+00 3.76 -1.005229757e+00 -1.005229757e+00 3.78 -9.764949716e-01 -9.764949716e-01 3.80 -9.483170215e-01 -9.483170215e-01 3.82 -9.206909513e-01 -9.206909513e-01 3.84 -8.936122904e-01 -8.936122904e-01 3.86 -8.670770411e-01 -8.670770411e-01 3.88 -8.410814989e-01 -8.410814989e-01 3.90 -8.156219381e-01 -8.156219381e-01 3.92 -7.906941252e-01 -7.906941252e-01 3.94 -7.662932966e-01 -7.662932966e-01 3.96 -7.424132020e-01 -7.424132020e-01 3.98 -7.190462981e-01 -7.190462981e-01 4.00 -6.961835394e-01 -6.961835394e-01 4.02 -6.738144353e-01 -6.738144353e-01 4.04 -6.519272555e-01 -6.519272555e-01 4.06 -6.305093682e-01 -6.305093682e-01 4.08 -6.095477013e-01 -6.095477013e-01 4.10 -5.890290260e-01 -5.890290260e-01 4.12 -5.689418404e-01 -5.689418404e-01 4.14 -5.492752061e-01 -5.492752061e-01 4.16 -5.300209059e-01 -5.300209059e-01 4.18 -5.111738815e-01 -5.111738815e-01 4.20 -4.927329505e-01 -4.927329505e-01 4.22 -4.747013436e-01 -4.747013436e-01 4.24 -4.570869491e-01 -4.570869491e-01 4.26 -4.399021610e-01 -4.399021610e-01 4.28 -4.231632596e-01 -4.231632596e-01 4.30 -4.068893105e-01 -4.068893105e-01 4.32 -3.911006449e-01 -3.911006449e-01 4.34 -3.758170642e-01 -3.758170642e-01 4.36 -3.610559668e-01 -3.610559668e-01 4.38 -3.468306219e-01 -3.468306219e-01 4.40 -3.331487915e-01 -3.331487915e-01 4.42 -3.200118397e-01 -3.200118397e-01 4.44 -3.074143899e-01 -3.074143899e-01 4.46 -2.953445036e-01 -2.953445036e-01 4.48 -2.837842905e-01 -2.837842905e-01 4.50 -2.727108216e-01 -2.727108216e-01 4.52 -2.620972069e-01 -2.620972069e-01 4.54 -2.519137115e-01 -2.519137115e-01 4.56 -2.421288159e-01 -2.421288159e-01 4.58 -2.327101566e-01 -2.327101566e-01 4.60 -2.236253179e-01 -2.236253179e-01 4.62 -2.148424722e-01 -2.148424722e-01 4.64 -2.063308846e-01 -2.063308846e-01 4.66 -1.980613111e-01 -1.980613111e-01 4.68 -1.900063221e-01 -1.900063221e-01 4.70 -1.821405856e-01 -1.821405856e-01 4.72 -1.744411384e-01 -1.744411384e-01 4.74 -1.668876679e-01 -1.668876679e-01 4.76 -1.594628178e-01 -1.594628178e-01 4.78 -1.521525195e-01 -1.521525195e-01 4.80 -1.449461445e-01 -1.449461445e-01 4.82 -1.378376631e-01 -1.378376631e-01 4.84 -1.308246621e-01 -1.308246621e-01 4.86 -1.239094566e-01 -1.239094566e-01 4.88 -1.170989263e-01 -1.170989263e-01 4.90 -1.104043985e-01 -1.104043985e-01 4.92 -1.038412975e-01 -1.038412975e-01 4.94 -9.742853695e-02 -9.742853695e-02 4.96 -9.118765920e-02 -9.118765920e-02 4.98 -8.514175839e-02 -8.514175839e-02 5.00 -7.931425585e-02 -7.931425585e-02 5.02 -7.372762180e-02 -7.372762180e-02 5.04 -6.840214997e-02 -6.840214997e-02 5.06 -6.335488841e-02 -6.335488841e-02 5.08 -5.859881423e-02 -5.859881423e-02 5.10 -5.414230059e-02 -5.414230059e-02 5.12 -4.998889228e-02 -4.998889228e-02 5.14 -4.613740339e-02 -4.613740339e-02 5.16 -4.258226399e-02 -4.258226399e-02 5.18 -3.931406393e-02 -3.931406393e-02 5.20 -3.631990034e-02 -3.631990034e-02 5.22 -3.358425316e-02 -3.358425316e-02 5.24 -3.109096353e-02 -3.109096353e-02 5.26 -2.882267895e-02 -2.882267895e-02 5.28 -2.676139988e-02 -2.676139988e-02 5.30 -2.488921188e-02 -2.488921188e-02 5.32 -2.318873921e-02 -2.318873921e-02 5.34 -2.164340062e-02 -2.164340062e-02 5.36 -2.023765547e-02 -2.023765547e-02 5.38 -1.895713600e-02 -1.895713600e-02 5.40 -1.778871676e-02 -1.778871676e-02 5.42 -1.672061599e-02 -1.672061599e-02 5.44 -1.574229766e-02 -1.574229766e-02 5.46 -1.484439874e-02 -1.484439874e-02 5.48 -1.401863661e-02 -1.401863661e-02 5.50 -1.325770250e-02 -1.325770250e-02 5.52 -1.255514951e-02 -1.255514951e-02 5.54 -1.190528175e-02 -1.190528175e-02 5.56 -1.130305019e-02 -1.130305019e-02 5.58 -1.074395858e-02 -1.074395858e-02 5.60 -1.022398180e-02 -1.022398180e-02 5.62 -9.739497231e-03 -9.739497231e-03 5.64 -9.287228643e-03 -9.287228643e-03 5.66 -8.864201426e-03 -8.864201426e-03 5.68 -8.467707168e-03 -8.467707168e-03 5.70 -8.095275665e-03 -8.095275665e-03 5.72 -7.744652420e-03 -7.744652420e-03 5.74 -7.413779979e-03 -7.413779979e-03 5.76 -7.100781819e-03 -7.100781819e-03 5.78 -6.803947888e-03 -6.803947888e-03 5.80 -6.521721204e-03 -6.521721204e-03 5.82 -6.252685235e-03 -6.252685235e-03 5.84 -5.995551953e-03 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