# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1989--Adams-J-B-Foiles-S-M-Wolfer-W-G--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = Cu2NiPd # 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 2022-05-24 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 3.587627238e+02 3.587627238e+02 0.98 3.301390905e+02 3.301390905e+02 1.00 3.041019739e+02 3.041019739e+02 1.02 2.803587142e+02 2.803587142e+02 1.04 2.586648148e+02 2.586648148e+02 1.06 2.387980800e+02 2.387980800e+02 1.08 2.205771290e+02 2.205771290e+02 1.10 2.038374995e+02 2.038374995e+02 1.12 1.884354138e+02 1.884354138e+02 1.14 1.742393183e+02 1.742393183e+02 1.16 1.611441872e+02 1.611441872e+02 1.18 1.490532561e+02 1.490532561e+02 1.20 1.378798704e+02 1.378798704e+02 1.22 1.275405596e+02 1.275405596e+02 1.24 1.179744043e+02 1.179744043e+02 1.26 1.091173530e+02 1.091173530e+02 1.28 1.009123787e+02 1.009123787e+02 1.30 9.330572813e+01 9.330572813e+01 1.32 8.625043418e+01 8.625043418e+01 1.34 7.970685939e+01 7.970685939e+01 1.36 7.363743919e+01 7.363743919e+01 1.38 6.800502141e+01 6.800502141e+01 1.40 6.277886570e+01 6.277886570e+01 1.42 5.792752674e+01 5.792752674e+01 1.44 5.342366563e+01 5.342366563e+01 1.46 4.924098027e+01 4.924098027e+01 1.48 4.535824005e+01 4.535824005e+01 1.50 4.175599149e+01 4.175599149e+01 1.52 3.841417704e+01 3.841417704e+01 1.54 3.531297943e+01 3.531297943e+01 1.56 3.243602713e+01 3.243602713e+01 1.58 2.976788053e+01 2.976788053e+01 1.60 2.729454708e+01 2.729454708e+01 1.62 2.500114930e+01 2.500114930e+01 1.64 2.287618928e+01 2.287618928e+01 1.66 2.090664453e+01 2.090664453e+01 1.68 1.908176523e+01 1.908176523e+01 1.70 1.739245826e+01 1.739245826e+01 1.72 1.580028758e+01 1.580028758e+01 1.74 1.433715708e+01 1.433715708e+01 1.76 1.297351937e+01 1.297351937e+01 1.78 1.170017902e+01 1.170017902e+01 1.80 1.048550250e+01 1.048550250e+01 1.82 9.366677755e+00 9.366677755e+00 1.84 8.313789426e+00 8.313789426e+00 1.86 7.323938827e+00 7.323938827e+00 1.88 6.394244648e+00 6.394244648e+00 1.90 5.522137455e+00 5.522137455e+00 1.92 4.704561404e+00 4.704561404e+00 1.94 3.938096104e+00 3.938096104e+00 1.96 3.222528729e+00 3.222528729e+00 1.98 2.554667824e+00 2.554667824e+00 2.00 1.932881011e+00 1.932881011e+00 2.02 1.355874551e+00 1.355874551e+00 2.04 8.209080778e-01 8.209080778e-01 2.06 3.257422057e-01 3.257422057e-01 2.08 -1.317237545e-01 -1.317237545e-01 2.10 -5.532679089e-01 -5.532679089e-01 2.12 -9.408700072e-01 -9.408700072e-01 2.14 -1.296186492e+00 -1.296186492e+00 2.16 -1.621213090e+00 -1.621213090e+00 2.18 -1.917380060e+00 -1.917380060e+00 2.20 -2.186011791e+00 -2.186011791e+00 2.22 -2.427740375e+00 -2.427740375e+00 2.24 -2.645542786e+00 -2.645542786e+00 2.26 -2.840865256e+00 -2.840865256e+00 2.28 -3.015044823e+00 -3.015044823e+00 2.30 -3.169295016e+00 -3.169295016e+00 2.32 -3.304909760e+00 -3.304909760e+00 2.34 -3.423131164e+00 -3.423131164e+00 2.36 -3.525237048e+00 -3.525237048e+00 2.38 -3.612326113e+00 -3.612326113e+00 2.40 -3.685447484e+00 -3.685447484e+00 2.42 -3.745764250e+00 -3.745764250e+00 2.44 -3.793445623e+00 -3.793445623e+00 2.46 -3.829889538e+00 -3.829889538e+00 2.48 -3.856197934e+00 -3.856197934e+00 2.50 -3.873389279e+00 -3.873389279e+00 2.52 -3.882155503e+00 -3.882155503e+00 2.54 -3.883025084e+00 -3.883025084e+00 2.56 -3.876506588e+00 -3.876506588e+00 2.58 -3.863158630e+00 -3.863158630e+00 2.60 -3.844858104e+00 -3.844858104e+00 2.62 -3.821317483e+00 -3.821317483e+00 2.64 -3.792618947e+00 -3.792618947e+00 2.66 -3.759316714e+00 -3.759316714e+00 2.68 -3.721863129e+00 -3.721863129e+00 2.70 -3.680628276e+00 -3.680628276e+00 2.72 -3.635721709e+00 -3.635721709e+00 2.74 -3.587628884e+00 -3.587628884e+00 2.76 -3.536902325e+00 -3.536902325e+00 2.78 -3.483197418e+00 -3.483197418e+00 2.80 -3.426867689e+00 -3.426867689e+00 2.82 -3.368878127e+00 -3.368878127e+00 2.84 -3.309468023e+00 -3.309468023e+00 2.86 -3.248869836e+00 -3.248869836e+00 2.88 -3.187298239e+00 -3.187298239e+00 2.90 -3.124951138e+00 -3.124951138e+00 2.92 -3.062010700e+00 -3.062010700e+00 2.94 -2.998666613e+00 -2.998666613e+00 2.96 -2.935179506e+00 -2.935179506e+00 2.98 -2.870989362e+00 -2.870989362e+00 3.00 -2.806788344e+00 -2.806788344e+00 3.02 -2.742740218e+00 -2.742740218e+00 3.04 -2.679331769e+00 -2.679331769e+00 3.06 -2.616778212e+00 -2.616778212e+00 3.08 -2.554610966e+00 -2.554610966e+00 3.10 -2.492917175e+00 -2.492917175e+00 3.12 -2.431768919e+00 -2.431768919e+00 3.14 -2.371230825e+00 -2.371230825e+00 3.16 -2.311360626e+00 -2.311360626e+00 3.18 -2.252209665e+00 -2.252209665e+00 3.20 -2.193823335e+00 -2.193823335e+00 3.22 -2.136241579e+00 -2.136241579e+00 3.24 -2.079496856e+00 -2.079496856e+00 3.26 -2.023917514e+00 -2.023917514e+00 3.28 -1.969322305e+00 -1.969322305e+00 3.30 -1.915620867e+00 -1.915620867e+00 3.32 -1.862854403e+00 -1.862854403e+00 3.34 -1.810991810e+00 -1.810991810e+00 3.36 -1.759994782e+00 -1.759994782e+00 3.38 -1.709781824e+00 -1.709781824e+00 3.40 -1.660311886e+00 -1.660311886e+00 3.42 -1.611703484e+00 -1.611703484e+00 3.44 -1.564002234e+00 -1.564002234e+00 3.46 -1.517217961e+00 -1.517217961e+00 3.48 -1.471418611e+00 -1.471418611e+00 3.50 -1.426620807e+00 -1.426620807e+00 3.52 -1.382805057e+00 -1.382805057e+00 3.54 -1.339965213e+00 -1.339965213e+00 3.56 -1.298094068e+00 -1.298094068e+00 3.58 -1.257149664e+00 -1.257149664e+00 3.60 -1.217087000e+00 -1.217087000e+00 3.62 -1.177883277e+00 -1.177883277e+00 3.64 -1.139570029e+00 -1.139570029e+00 3.66 -1.102174621e+00 -1.102174621e+00 3.68 -1.065703332e+00 -1.065703332e+00 3.70 -1.030140340e+00 -1.030140340e+00 3.72 -9.954706970e-01 -9.954706970e-01 3.74 -9.616753136e-01 -9.616753136e-01 3.76 -9.287272890e-01 -9.287272890e-01 3.78 -8.966109842e-01 -8.966109842e-01 3.80 -8.653219456e-01 -8.653219456e-01 3.82 -8.348421117e-01 -8.348421117e-01 3.84 -8.051646059e-01 -8.051646059e-01 3.86 -7.762353323e-01 -7.762353323e-01 3.88 -7.480086327e-01 -7.480086327e-01 3.90 -7.205100537e-01 -7.205100537e-01 3.92 -6.937353477e-01 -6.937353477e-01 3.94 -6.676683042e-01 -6.676683042e-01 3.96 -6.423716226e-01 -6.423716226e-01 3.98 -6.178917149e-01 -6.178917149e-01 4.00 -5.943050906e-01 -5.943050906e-01 4.02 -5.716405972e-01 -5.716405972e-01 4.04 -5.498003365e-01 -5.498003365e-01 4.06 -5.286824604e-01 -5.286824604e-01 4.08 -5.082364669e-01 -5.082364669e-01 4.10 -4.882742556e-01 -4.882742556e-01 4.12 -4.686423428e-01 -4.686423428e-01 4.14 -4.492339551e-01 -4.492339551e-01 4.16 -4.300292450e-01 -4.300292450e-01 4.18 -4.112527939e-01 -4.112527939e-01 4.20 -3.925519859e-01 -3.925519859e-01 4.22 -3.739060416e-01 -3.739060416e-01 4.24 -3.552903438e-01 -3.552903438e-01 4.26 -3.367681330e-01 -3.367681330e-01 4.28 -3.183547794e-01 -3.183547794e-01 4.30 -3.010980011e-01 -3.010980011e-01 4.32 -2.845178317e-01 -2.845178317e-01 4.34 -2.682762309e-01 -2.682762309e-01 4.36 -2.524558183e-01 -2.524558183e-01 4.38 -2.371109121e-01 -2.371109121e-01 4.40 -2.222808356e-01 -2.222808356e-01 4.42 -2.079925292e-01 -2.079925292e-01 4.44 -1.942627479e-01 -1.942627479e-01 4.46 -1.810999210e-01 -1.810999210e-01 4.48 -1.685057251e-01 -1.685057251e-01 4.50 -1.564764090e-01 -1.564764090e-01 4.52 -1.450039096e-01 -1.450039096e-01 4.54 -1.340767853e-01 -1.340767853e-01 4.56 -1.236809970e-01 -1.236809970e-01 4.58 -1.138017953e-01 -1.138017953e-01 4.60 -1.046788206e-01 -1.046788206e-01 4.62 -9.626889599e-02 -9.626889599e-02 4.64 -8.828704133e-02 -8.828704133e-02 4.66 -8.071522089e-02 -8.071522089e-02 4.68 -7.353548154e-02 -7.353548154e-02 4.70 -6.673009294e-02 -6.673009294e-02 4.72 -6.028165848e-02 -6.028165848e-02 4.74 -5.417320170e-02 -5.417320170e-02 4.76 -4.838823048e-02 -4.838823048e-02 4.78 -4.291412298e-02 -4.291412298e-02 4.80 -3.775299334e-02 -3.775299334e-02 4.82 -3.339923917e-02 -3.339923917e-02 4.84 -2.929774515e-02 -2.929774515e-02 4.86 -2.541431825e-02 -2.541431825e-02 4.88 -2.173628591e-02 -2.173628591e-02 4.90 -1.825309475e-02 -1.825309475e-02 4.92 -1.495401121e-02 -1.495401121e-02 4.94 -1.176840146e-02 -1.176840146e-02 4.96 -9.836110418e-03 -9.836110418e-03 4.98 -9.019685599e-03 -9.019685599e-03 5.00 -8.201435931e-03 -8.201435931e-03 5.02 -7.425446850e-03 -7.425446850e-03 5.04 -6.689885673e-03 -6.689885673e-03 5.06 -5.992709952e-03 -5.992709952e-03 5.08 -5.331976405e-03 -5.331976405e-03 5.10 -4.705836487e-03 -4.705836487e-03 5.12 -4.112532090e-03 -4.112532090e-03 5.14 -3.550391405e-03 -3.550391405e-03 5.16 -3.017824930e-03 -3.017824930e-03 5.18 -2.513321634e-03 -2.513321634e-03 5.20 -2.035445271e-03 -2.035445271e-03 5.22 -1.582830835e-03 -1.582830835e-03 5.24 -1.154181174e-03 -1.154181174e-03 5.26 -7.482637460e-04 -7.482637460e-04 5.28 -3.641434094e-04 -3.641434094e-04 5.30 -5.695458066e-16 -5.688794455e-16 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 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