# 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 = CoMoPb2 # 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 3.561120107e+02 3.561120107e+02 1.30 3.320534780e+02 3.320534780e+02 1.32 3.096830786e+02 3.096830786e+02 1.34 2.888684949e+02 2.888684949e+02 1.36 2.694917667e+02 2.694917667e+02 1.38 2.514467498e+02 2.514467498e+02 1.40 2.346366283e+02 2.346366283e+02 1.42 2.189718208e+02 2.189718208e+02 1.44 2.043685557e+02 2.043685557e+02 1.46 1.907482606e+02 1.907482606e+02 1.48 1.780374795e+02 1.780374795e+02 1.50 1.661679282e+02 1.661679282e+02 1.52 1.550765882e+02 1.550765882e+02 1.54 1.447058560e+02 1.447058560e+02 1.56 1.350034217e+02 1.350034217e+02 1.58 1.259218129e+02 1.259218129e+02 1.60 1.174176872e+02 1.174176872e+02 1.62 1.094511684e+02 1.094511684e+02 1.64 1.019853253e+02 1.019853253e+02 1.66 9.498587875e+01 9.498587875e+01 1.68 8.842102974e+01 8.842102974e+01 1.70 8.226136300e+01 8.226136300e+01 1.72 7.648023328e+01 7.648023328e+01 1.74 7.105526819e+01 7.105526819e+01 1.76 6.596823407e+01 6.596823407e+01 1.78 6.121261472e+01 6.121261472e+01 1.80 5.677138420e+01 5.677138420e+01 1.82 5.262713513e+01 5.262713513e+01 1.84 4.876318120e+01 4.876318120e+01 1.86 4.516308906e+01 4.516308906e+01 1.88 4.181050312e+01 4.181050312e+01 1.90 3.868921096e+01 3.868921096e+01 1.92 3.578334723e+01 3.578334723e+01 1.94 3.307767105e+01 3.307767105e+01 1.96 3.055777952e+01 3.055777952e+01 1.98 2.821022983e+01 2.821022983e+01 2.00 2.602253912e+01 2.602253912e+01 2.02 2.398311040e+01 2.398311040e+01 2.04 2.208114487e+01 2.208114487e+01 2.06 2.030658513e+01 2.030658513e+01 2.08 1.865009502e+01 1.865009502e+01 2.10 1.710304633e+01 1.710304633e+01 2.12 1.565751608e+01 1.565751608e+01 2.14 1.430626509e+01 1.430626509e+01 2.16 1.304271103e+01 1.304271103e+01 2.18 1.186089182e+01 1.186089182e+01 2.20 1.075541298e+01 1.075541298e+01 2.22 9.721389296e+00 9.721389296e+00 2.24 8.754378267e+00 8.754378267e+00 2.26 7.850314440e+00 7.850314440e+00 2.28 7.005451907e+00 7.005451907e+00 2.30 6.216310785e+00 6.216310785e+00 2.32 5.479630768e+00 5.479630768e+00 2.34 4.792345355e+00 4.792345355e+00 2.36 4.151546128e+00 4.151546128e+00 2.38 3.554462881e+00 3.554462881e+00 2.40 2.998448867e+00 2.998448867e+00 2.42 2.480975271e+00 2.480975271e+00 2.44 1.999633383e+00 1.999633383e+00 2.46 1.552145519e+00 1.552145519e+00 2.48 1.136477936e+00 1.136477936e+00 2.50 7.506392174e-01 7.506392174e-01 2.52 3.926915468e-01 3.926915468e-01 2.54 6.087388932e-02 6.087388932e-02 2.56 -2.464152591e-01 -2.464152591e-01 2.58 -5.306408171e-01 -5.306408171e-01 2.60 -7.931557035e-01 -7.931557035e-01 2.62 -1.035221889e+00 -1.035221889e+00 2.64 -1.258050973e+00 -1.258050973e+00 2.66 -1.462697271e+00 -1.462697271e+00 2.68 -1.650026622e+00 -1.650026622e+00 2.70 -1.820893675e+00 -1.820893675e+00 2.72 -1.976144200e+00 -1.976144200e+00 2.74 -2.116609881e+00 -2.116609881e+00 2.76 -2.243103850e+00 -2.243103850e+00 2.78 -2.356416832e+00 -2.356416832e+00 2.80 -2.457305053e+00 -2.457305053e+00 2.82 -2.546430378e+00 -2.546430378e+00 2.84 -2.624408415e+00 -2.624408415e+00 2.86 -2.691840520e+00 -2.691840520e+00 2.88 -2.749315384e+00 -2.749315384e+00 2.90 -2.797411826e+00 -2.797411826e+00 2.92 -2.836702111e+00 -2.836702111e+00 2.94 -2.867755007e+00 -2.867755007e+00 2.96 -2.891137765e+00 -2.891137765e+00 2.98 -2.907416287e+00 -2.907416287e+00 3.00 -2.917152962e+00 -2.917152962e+00 3.02 -2.920901905e+00 -2.920901905e+00 3.04 -2.919201331e+00 -2.919201331e+00 3.06 -2.912567229e+00 -2.912567229e+00 3.08 -2.901481296e+00 -2.901481296e+00 3.10 -2.886386626e+00 -2.886386626e+00 3.12 -2.867681826e+00 -2.867681826e+00 3.14 -2.845726806e+00 -2.845726806e+00 3.16 -2.820835152e+00 -2.820835152e+00 3.18 -2.793284367e+00 -2.793284367e+00 3.20 -2.763316963e+00 -2.763316963e+00 3.22 -2.731142466e+00 -2.731142466e+00 3.24 -2.696996499e+00 -2.696996499e+00 3.26 -2.661044536e+00 -2.661044536e+00 3.28 -2.623287146e+00 -2.623287146e+00 3.30 -2.583721579e+00 -2.583721579e+00 3.32 -2.542349920e+00 -2.542349920e+00 3.34 -2.499187330e+00 -2.499187330e+00 3.36 -2.454268622e+00 -2.454268622e+00 3.38 -2.407619528e+00 -2.407619528e+00 3.40 -2.359274783e+00 -2.359274783e+00 3.42 -2.309322976e+00 -2.309322976e+00 3.44 -2.257906194e+00 -2.257906194e+00 3.46 -2.205217514e+00 -2.205217514e+00 3.48 -2.151492811e+00 -2.151492811e+00 3.50 -2.096999633e+00 -2.096999633e+00 3.52 -2.042023955e+00 -2.042023955e+00 3.54 -1.986856271e+00 -1.986856271e+00 3.56 -1.931778460e+00 -1.931778460e+00 3.58 -1.877052701e+00 -1.877052701e+00 3.60 -1.822913265e+00 -1.822913265e+00 3.62 -1.769561571e+00 -1.769561571e+00 3.64 -1.717164378e+00 -1.717164378e+00 3.66 -1.665854630e+00 -1.665854630e+00 3.68 -1.615734211e+00 -1.615734211e+00 3.70 -1.566877774e+00 -1.566877774e+00 3.72 -1.519336889e+00 -1.519336889e+00 3.74 -1.473143900e+00 -1.473143900e+00 3.76 -1.428315170e+00 -1.428315170e+00 3.78 -1.384853597e+00 -1.384853597e+00 3.80 -1.342750528e+00 -1.342750528e+00 3.82 -1.301987291e+00 -1.301987291e+00 3.84 -1.262536570e+00 -1.262536570e+00 3.86 -1.224363807e+00 -1.224363807e+00 3.88 -1.187428695e+00 -1.187428695e+00 3.90 -1.151686735e+00 -1.151686735e+00 3.92 -1.117089921e+00 -1.117089921e+00 3.94 -1.083591695e+00 -1.083591695e+00 3.96 -1.051142570e+00 -1.051142570e+00 3.98 -1.019695002e+00 -1.019695002e+00 4.00 -9.892030443e-01 -9.892030443e-01 4.02 -9.596228074e-01 -9.596228074e-01 4.04 -9.309127492e-01 -9.309127492e-01 4.06 -9.030338344e-01 -9.030338344e-01 4.08 -8.759496301e-01 -8.759496301e-01 4.10 -8.496241025e-01 -8.496241025e-01 4.12 -8.240312284e-01 -8.240312284e-01 4.14 -7.991401295e-01 -7.991401295e-01 4.16 -7.749257404e-01 -7.749257404e-01 4.18 -7.513661764e-01 -7.513661764e-01 4.20 -7.284428528e-01 -7.284428528e-01 4.22 -7.061405138e-01 -7.061405138e-01 4.24 -6.844471092e-01 -6.844471092e-01 4.26 -6.633534665e-01 -6.633534665e-01 4.28 -6.428527330e-01 -6.428527330e-01 4.30 -6.229396030e-01 -6.229396030e-01 4.32 -6.036093945e-01 -6.036093945e-01 4.34 -5.848570800e-01 -5.848570800e-01 4.36 -5.666763962e-01 -5.666763962e-01 4.38 -5.490591500e-01 -5.490591500e-01 4.40 -5.319948001e-01 -5.319948001e-01 4.42 -5.154703396e-01 -5.154703396e-01 4.44 -4.994704524e-01 -4.994704524e-01 4.46 -4.839778747e-01 -4.839778747e-01 4.48 -4.689738739e-01 -4.689738739e-01 4.50 -4.544387627e-01 -4.544387627e-01 4.52 -4.403523788e-01 -4.403523788e-01 4.54 -4.266944913e-01 -4.266944913e-01 4.56 -4.134451132e-01 -4.134451132e-01 4.58 -4.005847205e-01 -4.005847205e-01 4.60 -3.880943938e-01 -3.880943938e-01 4.62 -3.759558988e-01 -3.759558988e-01 4.64 -3.641517303e-01 -3.641517303e-01 4.66 -3.526651388e-01 -3.526651388e-01 4.68 -3.414801597e-01 -3.414801597e-01 4.70 -3.305816570e-01 -3.305816570e-01 4.72 -3.199553953e-01 -3.199553953e-01 4.74 -3.095881438e-01 -3.095881438e-01 4.76 -2.994678150e-01 -2.994678150e-01 4.78 -2.895836330e-01 -2.895836330e-01 4.80 -2.799247863e-01 -2.799247863e-01 4.82 -2.704870003e-01 -2.704870003e-01 4.84 -2.612627215e-01 -2.612627215e-01 4.86 -2.522481871e-01 -2.522481871e-01 4.88 -2.434416263e-01 -2.434416263e-01 4.90 -2.348431736e-01 -2.348431736e-01 4.92 -2.264546493e-01 -2.264546493e-01 4.94 -2.182792025e-01 -2.182792025e-01 4.96 -2.103208338e-01 -2.103208338e-01 4.98 -2.025838361e-01 -2.025838361e-01 5.00 -1.950722116e-01 -1.950722116e-01 5.02 -1.877891284e-01 -1.877891284e-01 5.04 -1.807364798e-01 -1.807364798e-01 5.06 -1.739146035e-01 -1.739146035e-01 5.08 -1.673221789e-01 -1.673221789e-01 5.10 -1.609563037e-01 -1.609563037e-01 5.12 -1.548127229e-01 -1.548127229e-01 5.14 -1.488861672e-01 -1.488861672e-01 5.16 -1.431707394e-01 -1.431707394e-01 5.18 -1.376603034e-01 -1.376603034e-01 5.20 -1.323488261e-01 -1.323488261e-01 5.22 -1.272306380e-01 -1.272306380e-01 5.24 -1.223005938e-01 -1.223005938e-01 5.26 -1.175541288e-01 -1.175541288e-01 5.28 -1.129871954e-01 -1.129871954e-01 5.30 -1.085955375e-01 -1.085955375e-01 5.32 -1.043758324e-01 -1.043758324e-01 5.34 -1.003251268e-01 -1.003251268e-01 5.36 -9.644021346e-02 -9.644021346e-02 5.38 -9.271746666e-02 -9.271746666e-02 5.40 -8.915271539e-02 -8.915271539e-02 5.42 -8.574116586e-02 -8.574116586e-02 5.44 -8.247737632e-02 -8.247737632e-02 5.46 -7.935528130e-02 -7.935528130e-02 5.48 -7.636825770e-02 -7.636825770e-02 5.50 -7.350922188e-02 -7.350922188e-02 5.52 -7.077074604e-02 -7.077074604e-02 5.54 -6.814518286e-02 -6.814518286e-02 5.56 -6.562478864e-02 -6.562478864e-02 5.58 -6.320183800e-02 -6.320183800e-02 5.60 -6.086872538e-02 -6.086872538e-02 5.62 -5.861805085e-02 -5.861805085e-02 5.64 -5.644269014e-02 -5.644269014e-02 5.66 -5.433584977e-02 -5.433584977e-02 5.68 -5.229110946e-02 -5.229110946e-02 5.70 -5.030245446e-02 -5.030245446e-02 5.72 -4.836430059e-02 -4.836430059e-02 5.74 -4.647151467e-02 -4.647151467e-02 5.76 -4.461943269e-02 -4.461943269e-02 5.78 -4.280387740e-02 -4.280387740e-02 5.80 -4.102117779e-02 -4.102117779e-02 5.82 -3.926818892e-02 -3.926818892e-02 5.84 -3.754231356e-02 -3.754231356e-02 5.86 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