# 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 = Au2CuPt # 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 nan nan 0.98 8.488614518e+02 8.488614518e+02 1.00 7.754522338e+02 7.754522338e+02 1.02 7.090367783e+02 7.090367783e+02 1.04 6.488961964e+02 6.488961964e+02 1.06 5.943914332e+02 5.943914332e+02 1.08 5.449492684e+02 5.449492684e+02 1.10 5.000600134e+02 5.000600134e+02 1.12 4.592672741e+02 4.592672741e+02 1.14 4.221637698e+02 4.221637698e+02 1.16 3.883814268e+02 3.883814268e+02 1.18 3.575951159e+02 3.575951159e+02 1.20 3.295126724e+02 3.295126724e+02 1.22 3.038719092e+02 3.038719092e+02 1.24 2.804348463e+02 2.804348463e+02 1.26 2.589888893e+02 2.589888893e+02 1.28 2.393443526e+02 2.393443526e+02 1.30 2.213313621e+02 2.213313621e+02 1.32 2.047966433e+02 2.047966433e+02 1.34 1.896018380e+02 1.896018380e+02 1.36 1.756221106e+02 1.756221106e+02 1.38 1.627456790e+02 1.627456790e+02 1.40 1.508733961e+02 1.508733961e+02 1.42 1.399156428e+02 1.399156428e+02 1.44 1.297911756e+02 1.297911756e+02 1.46 1.204270891e+02 1.204270891e+02 1.48 1.117567178e+02 1.117567178e+02 1.50 1.037203448e+02 1.037203448e+02 1.52 9.626425907e+01 9.626425907e+01 1.54 8.933926628e+01 8.933926628e+01 1.56 8.290232733e+01 8.290232733e+01 1.58 7.691403659e+01 7.691403659e+01 1.60 7.133819398e+01 7.133819398e+01 1.62 6.614221404e+01 6.614221404e+01 1.64 6.129606388e+01 6.129606388e+01 1.66 5.677339595e+01 5.677339595e+01 1.68 5.254974431e+01 5.254974431e+01 1.70 4.860254778e+01 4.860254778e+01 1.72 4.491146001e+01 4.491146001e+01 1.74 4.145786438e+01 4.145786438e+01 1.76 3.822413714e+01 3.822413714e+01 1.78 3.519492870e+01 3.519492870e+01 1.80 3.235643459e+01 3.235643459e+01 1.82 2.969543469e+01 2.969543469e+01 1.84 2.719984139e+01 2.719984139e+01 1.86 2.486157595e+01 2.486157595e+01 1.88 2.267164530e+01 2.267164530e+01 1.90 2.060817372e+01 2.060817372e+01 1.92 1.868611836e+01 1.868611836e+01 1.94 1.688317315e+01 1.688317315e+01 1.96 1.519301003e+01 1.519301003e+01 1.98 1.361001658e+01 1.361001658e+01 2.00 1.212861106e+01 1.212861106e+01 2.02 1.074360194e+01 1.074360194e+01 2.04 9.450139207e+00 9.450139207e+00 2.06 8.243454383e+00 8.243454383e+00 2.08 7.119055797e+00 7.119055797e+00 2.10 6.072909680e+00 6.072909680e+00 2.12 5.100934727e+00 5.100934727e+00 2.14 4.199103803e+00 4.199103803e+00 2.16 3.363395135e+00 3.363395135e+00 2.18 2.590294391e+00 2.590294391e+00 2.20 1.876367727e+00 1.876367727e+00 2.22 1.218098263e+00 1.218098263e+00 2.24 6.123993212e-01 6.123993212e-01 2.26 5.626127793e-02 5.626127793e-02 2.28 -4.528309682e-01 -4.528309682e-01 2.30 -9.175536726e-01 -9.175536726e-01 2.32 -1.341267272e+00 -1.341267272e+00 2.34 -1.726461009e+00 -1.726461009e+00 2.36 -2.075554474e+00 -2.075554474e+00 2.38 -2.390849261e+00 -2.390849261e+00 2.40 -2.674349165e+00 -2.674349165e+00 2.42 -2.928298679e+00 -2.928298679e+00 2.44 -3.154682632e+00 -3.154682632e+00 2.46 -3.355364382e+00 -3.355364382e+00 2.48 -3.532187679e+00 -3.532187679e+00 2.50 -3.687007549e+00 -3.687007549e+00 2.52 -3.820879231e+00 -3.820879231e+00 2.54 -3.935535205e+00 -3.935535205e+00 2.56 -4.032430022e+00 -4.032430022e+00 2.58 -4.112683555e+00 -4.112683555e+00 2.60 -4.178347862e+00 -4.178347862e+00 2.62 -4.230218598e+00 -4.230218598e+00 2.64 -4.269226026e+00 -4.269226026e+00 2.66 -4.296444934e+00 -4.296444934e+00 2.68 -4.312662055e+00 -4.312662055e+00 2.70 -4.318879056e+00 -4.318879056e+00 2.72 -4.315979888e+00 -4.315979888e+00 2.74 -4.304761251e+00 -4.304761251e+00 2.76 -4.285965508e+00 -4.285965508e+00 2.78 -4.260579854e+00 -4.260579854e+00 2.80 -4.229240618e+00 -4.229240618e+00 2.82 -4.192278106e+00 -4.192278106e+00 2.84 -4.150252780e+00 -4.150252780e+00 2.86 -4.103688920e+00 -4.103688920e+00 2.88 -4.052938090e+00 -4.052938090e+00 2.90 -3.997977485e+00 -3.997977485e+00 2.92 -3.940343005e+00 -3.940343005e+00 2.94 -3.879912871e+00 -3.879912871e+00 2.96 -3.817026803e+00 -3.817026803e+00 2.98 -3.751528506e+00 -3.751528506e+00 3.00 -3.684074863e+00 -3.684074863e+00 3.02 -3.615168026e+00 -3.615168026e+00 3.04 -3.545236783e+00 -3.545236783e+00 3.06 -3.474597745e+00 -3.474597745e+00 3.08 -3.402956200e+00 -3.402956200e+00 3.10 -3.330388478e+00 -3.330388478e+00 3.12 -3.257499562e+00 -3.257499562e+00 3.14 -3.184447444e+00 -3.184447444e+00 3.16 -3.111387881e+00 -3.111387881e+00 3.18 -3.038463259e+00 -3.038463259e+00 3.20 -2.965802857e+00 -2.965802857e+00 3.22 -2.893523976e+00 -2.893523976e+00 3.24 -2.821726535e+00 -2.821726535e+00 3.26 -2.750831418e+00 -2.750831418e+00 3.28 -2.680695126e+00 -2.680695126e+00 3.30 -2.611282662e+00 -2.611282662e+00 3.32 -2.542664045e+00 -2.542664045e+00 3.34 -2.474902021e+00 -2.474902021e+00 3.36 -2.408052345e+00 -2.408052345e+00 3.38 -2.342164108e+00 -2.342164108e+00 3.40 -2.277303920e+00 -2.277303920e+00 3.42 -2.213811272e+00 -2.213811272e+00 3.44 -2.151374300e+00 -2.151374300e+00 3.46 -2.090030939e+00 -2.090030939e+00 3.48 -2.029780515e+00 -2.029780515e+00 3.50 -1.970620221e+00 -1.970620221e+00 3.52 -1.912521296e+00 -1.912521296e+00 3.54 -1.855458237e+00 -1.855458237e+00 3.56 -1.799513514e+00 -1.799513514e+00 3.58 -1.744762426e+00 -1.744762426e+00 3.60 -1.691203990e+00 -1.691203990e+00 3.62 -1.638829900e+00 -1.638829900e+00 3.64 -1.587588295e+00 -1.587588295e+00 3.66 -1.537426934e+00 -1.537426934e+00 3.68 -1.488357890e+00 -1.488357890e+00 3.70 -1.440440138e+00 -1.440440138e+00 3.72 -1.393690162e+00 -1.393690162e+00 3.74 -1.348074100e+00 -1.348074100e+00 3.76 -1.303548231e+00 -1.303548231e+00 3.78 -1.260087730e+00 -1.260087730e+00 3.80 -1.217697277e+00 -1.217697277e+00 3.82 -1.176381792e+00 -1.176381792e+00 3.84 -1.136146209e+00 -1.136146209e+00 3.86 -1.096968210e+00 -1.096968210e+00 3.88 -1.058825276e+00 -1.058825276e+00 3.90 -1.021701150e+00 -1.021701150e+00 3.92 -9.855885207e-01 -9.855885207e-01 3.94 -9.504881698e-01 -9.504881698e-01 3.96 -9.163461589e-01 -9.163461589e-01 3.98 -8.830470662e-01 -8.830470662e-01 4.00 -8.505990614e-01 -8.505990614e-01 4.02 -8.190338957e-01 -8.190338957e-01 4.04 -7.884346037e-01 -7.884346037e-01 4.06 -7.588660078e-01 -7.588660078e-01 4.08 -7.303720316e-01 -7.303720316e-01 4.10 -7.030006360e-01 -7.030006360e-01 4.12 -6.768725735e-01 -6.768725735e-01 4.14 -6.518615111e-01 -6.518615111e-01 4.16 -6.277743715e-01 -6.277743715e-01 4.18 -6.043559468e-01 -6.043559468e-01 4.20 -5.813956721e-01 -5.813956721e-01 4.22 -5.587439188e-01 -5.587439188e-01 4.24 -5.362996688e-01 -5.362996688e-01 4.26 -5.140000155e-01 -5.140000155e-01 4.28 -4.917847644e-01 -4.917847644e-01 4.30 -4.702493176e-01 -4.702493176e-01 4.32 -4.490879917e-01 -4.490879917e-01 4.34 -4.280284416e-01 -4.280284416e-01 4.36 -4.070757541e-01 -4.070757541e-01 4.38 -3.863219431e-01 -3.863219431e-01 4.40 -3.658671039e-01 -3.658671039e-01 4.42 -3.458323536e-01 -3.458323536e-01 4.44 -3.263179592e-01 -3.263179592e-01 4.46 -3.073988698e-01 -3.073988698e-01 4.48 -2.891291192e-01 -2.891291192e-01 4.50 -2.715455420e-01 -2.715455420e-01 4.52 -2.546709135e-01 -2.546709135e-01 4.54 -2.385165939e-01 -2.385165939e-01 4.56 -2.230846896e-01 -2.230846896e-01 4.58 -2.083648262e-01 -2.083648262e-01 4.60 -1.944948358e-01 -1.944948358e-01 4.62 -1.814446644e-01 -1.814446644e-01 4.64 -1.690451440e-01 -1.690451440e-01 4.66 -1.572804562e-01 -1.572804562e-01 4.68 -1.461279963e-01 -1.461279963e-01 4.70 -1.355640508e-01 -1.355640508e-01 4.72 -1.255642722e-01 -1.255642722e-01 4.74 -1.161040451e-01 -1.161040451e-01 4.76 -1.071587808e-01 -1.071587808e-01 4.78 -9.870414761e-02 -9.870414761e-02 4.80 -9.070650960e-02 -9.070650960e-02 4.82 -8.344054682e-02 -8.344054682e-02 4.84 -7.668934731e-02 -7.668934731e-02 4.86 -7.031023308e-02 -7.031023308e-02 4.88 -6.428398954e-02 -6.428398954e-02 4.90 -5.859215533e-02 -5.859215533e-02 4.92 -5.321665430e-02 -5.321665430e-02 4.94 -4.809504648e-02 -4.809504648e-02 4.96 -4.391565956e-02 -4.391565956e-02 4.98 -4.061104599e-02 -4.061104599e-02 5.00 -3.745160559e-02 -3.745160559e-02 5.02 -3.447168134e-02 -3.447168134e-02 5.04 -3.166166318e-02 -3.166166318e-02 5.06 -2.901210885e-02 -2.901210885e-02 5.08 -2.651406837e-02 -2.651406837e-02 5.10 -2.415906329e-02 -2.415906329e-02 5.12 -2.193906605e-02 -2.193906605e-02 5.14 -1.984647936e-02 -1.984647936e-02 5.16 -1.787411578e-02 -1.787411578e-02 5.18 -1.601517797e-02 -1.601517797e-02 5.20 -1.426323960e-02 -1.426323960e-02 5.22 -1.261222685e-02 -1.261222685e-02 5.24 -1.105640029e-02 -1.105640029e-02 5.26 -9.590324403e-03 -9.590324403e-03 5.28 -8.209739181e-03 -8.209739181e-03 5.30 -6.928534775e-03 -6.928534775e-03 5.32 -6.139821611e-03 -6.139821611e-03 5.34 -5.411867121e-03 -5.411867121e-03 5.36 -4.730816360e-03 -4.730816360e-03 5.38 -4.090764212e-03 -4.090764212e-03 5.40 -3.489308918e-03 -3.489308918e-03 5.42 -2.924185473e-03 -2.924185473e-03 5.44 -2.393258071e-03 -2.393258071e-03 5.46 -1.894512968e-03 -1.894512968e-03 5.48 -1.426051752e-03 -1.426051752e-03 5.50 -9.860849561e-04 -9.860849561e-04 5.52 -5.729259374e-04 -5.729259374e-04 5.54 -1.824951715e-04 -1.824951715e-04 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