# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr2 # composition = CoCrNi2 # 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 nan nan 1.00 nan nan 1.02 -3.779534800e+02 -3.779534800e+02 1.04 -3.561031248e+02 -3.561031248e+02 1.06 -3.357540907e+02 -3.357540907e+02 1.08 -3.169293320e+02 -3.169293320e+02 1.10 -2.993468818e+02 -2.993468818e+02 1.12 -2.826340336e+02 -2.826340336e+02 1.14 -2.666514106e+02 -2.666514106e+02 1.16 -2.513828099e+02 -2.513828099e+02 1.18 -2.369551176e+02 -2.369551176e+02 1.20 -2.235730199e+02 -2.235730199e+02 1.22 -2.112877991e+02 -2.112877991e+02 1.24 -1.999839327e+02 -1.999839327e+02 1.26 -1.895186708e+02 -1.895186708e+02 1.28 -1.798064541e+02 -1.798064541e+02 1.30 -1.706909348e+02 -1.706909348e+02 1.32 -1.620033831e+02 -1.620033831e+02 1.34 -1.536062692e+02 -1.536062692e+02 1.36 -1.454558967e+02 -1.454558967e+02 1.38 -1.375758190e+02 -1.375758190e+02 1.40 -1.299541860e+02 -1.299541860e+02 1.42 -1.224912450e+02 -1.224912450e+02 1.44 -1.150832170e+02 -1.150832170e+02 1.46 -1.076635580e+02 -1.076635580e+02 1.48 -1.002136401e+02 -1.002136401e+02 1.50 -9.275859891e+01 -9.275859891e+01 1.52 -8.534700633e+01 -8.534700633e+01 1.54 -7.802287592e+01 -7.802287592e+01 1.56 -7.080318173e+01 -7.080318173e+01 1.58 -6.368543535e+01 -6.368543535e+01 1.60 -5.667559453e+01 -5.667559453e+01 1.62 -4.981879070e+01 -4.981879070e+01 1.64 -4.320762252e+01 -4.320762252e+01 1.66 -3.694710340e+01 -3.694710340e+01 1.68 -3.109402622e+01 -3.109402622e+01 1.70 -2.564945565e+01 -2.564945565e+01 1.72 -2.061083642e+01 -2.061083642e+01 1.74 -1.598159212e+01 -1.598159212e+01 1.76 -1.176284493e+01 -1.176284493e+01 1.78 -8.103057090e+00 -8.103057090e+00 1.80 -5.416786106e+00 -5.416786106e+00 1.82 -3.553899062e+00 -3.553899062e+00 1.84 -2.306869047e+00 -2.306869047e+00 1.86 -1.521993878e+00 -1.521993878e+00 1.88 -1.078993191e+00 -1.078993191e+00 1.90 -8.811438918e-01 -8.811438918e-01 1.92 -8.524495882e-01 -8.524495882e-01 1.94 -9.387167465e-01 -9.387167465e-01 1.96 -1.101430498e+00 -1.101430498e+00 1.98 -1.310991983e+00 -1.310991983e+00 2.00 -1.546259738e+00 -1.546259738e+00 2.02 -1.792405525e+00 -1.792405525e+00 2.04 -2.039963731e+00 -2.039963731e+00 2.06 -2.283357733e+00 -2.283357733e+00 2.08 -2.519060882e+00 -2.519060882e+00 2.10 -2.744257877e+00 -2.744257877e+00 2.12 -2.956970490e+00 -2.956970490e+00 2.14 -3.155894321e+00 -3.155894321e+00 2.16 -3.339353297e+00 -3.339353297e+00 2.18 -3.505467091e+00 -3.505467091e+00 2.20 -3.651263122e+00 -3.651263122e+00 2.22 -3.775399819e+00 -3.775399819e+00 2.24 -3.880260606e+00 -3.880260606e+00 2.26 -3.967843470e+00 -3.967843470e+00 2.28 -4.039508795e+00 -4.039508795e+00 2.30 -4.096996937e+00 -4.096996937e+00 2.32 -4.142703092e+00 -4.142703092e+00 2.34 -4.178836619e+00 -4.178836619e+00 2.36 -4.207269071e+00 -4.207269071e+00 2.38 -4.229476006e+00 -4.229476006e+00 2.40 -4.246124136e+00 -4.246124136e+00 2.42 -4.257275117e+00 -4.257275117e+00 2.44 -4.262663568e+00 -4.262663568e+00 2.46 -4.262398124e+00 -4.262398124e+00 2.48 -4.257335452e+00 -4.257335452e+00 2.50 -4.248298658e+00 -4.248298658e+00 2.52 -4.235079829e+00 -4.235079829e+00 2.54 -4.217033840e+00 -4.217033840e+00 2.56 -4.193570299e+00 -4.193570299e+00 2.58 -4.164218718e+00 -4.164218718e+00 2.60 -4.128877133e+00 -4.128877133e+00 2.62 -4.087637528e+00 -4.087637528e+00 2.64 -4.040742049e+00 -4.040742049e+00 2.66 -3.988561738e+00 -3.988561738e+00 2.68 -3.931414509e+00 -3.931414509e+00 2.70 -3.869634872e+00 -3.869634872e+00 2.72 -3.803624390e+00 -3.803624390e+00 2.74 -3.733827385e+00 -3.733827385e+00 2.76 -3.660763987e+00 -3.660763987e+00 2.78 -3.585151118e+00 -3.585151118e+00 2.80 -3.507973563e+00 -3.507973563e+00 2.82 -3.430253032e+00 -3.430253032e+00 2.84 -3.352838613e+00 -3.352838613e+00 2.86 -3.276237173e+00 -3.276237173e+00 2.88 -3.200391214e+00 -3.200391214e+00 2.90 -3.124913867e+00 -3.124913867e+00 2.92 -3.049638098e+00 -3.049638098e+00 2.94 -2.973990309e+00 -2.973990309e+00 2.96 -2.897042143e+00 -2.897042143e+00 2.98 -2.818149056e+00 -2.818149056e+00 3.00 -2.737017557e+00 -2.737017557e+00 3.02 -2.653658649e+00 -2.653658649e+00 3.04 -2.568304825e+00 -2.568304825e+00 3.06 -2.481173032e+00 -2.481173032e+00 3.08 -2.392338341e+00 -2.392338341e+00 3.10 -2.301924765e+00 -2.301924765e+00 3.12 -2.210129937e+00 -2.210129937e+00 3.14 -2.117328234e+00 -2.117328234e+00 3.16 -2.024445921e+00 -2.024445921e+00 3.18 -1.932424880e+00 -1.932424880e+00 3.20 -1.842020270e+00 -1.842020270e+00 3.22 -1.753806230e+00 -1.753806230e+00 3.24 -1.668247527e+00 -1.668247527e+00 3.26 -1.585705372e+00 -1.585705372e+00 3.28 -1.506439439e+00 -1.506439439e+00 3.30 -1.430603121e+00 -1.430603121e+00 3.32 -1.358234524e+00 -1.358234524e+00 3.34 -1.289251802e+00 -1.289251802e+00 3.36 -1.223490890e+00 -1.223490890e+00 3.38 -1.160726536e+00 -1.160726536e+00 3.40 -1.100720086e+00 -1.100720086e+00 3.42 -1.043345891e+00 -1.043345891e+00 3.44 -9.885045610e-01 -9.885045610e-01 3.46 -9.361142668e-01 -9.361142668e-01 3.48 -8.861157625e-01 -8.861157625e-01 3.50 -8.384682880e-01 -8.384682880e-01 3.52 -7.931418880e-01 -7.931418880e-01 3.54 -7.501097555e-01 -7.501097555e-01 3.56 -7.093415306e-01 -7.093415306e-01 3.58 -6.707709552e-01 -6.707709552e-01 3.60 -6.342768929e-01 -6.342768929e-01 3.62 -5.997312601e-01 -5.997312601e-01 3.64 -5.670087366e-01 -5.670087366e-01 3.66 -5.360151291e-01 -5.360151291e-01 3.68 -5.066676308e-01 -5.066676308e-01 3.70 -4.788827524e-01 -4.788827524e-01 3.72 -4.525764071e-01 -4.525764071e-01 3.74 -4.276640856e-01 -4.276640856e-01 3.76 -4.040610776e-01 -4.040610776e-01 3.78 -3.816822649e-01 -3.816822649e-01 3.80 -3.604425772e-01 -3.604425772e-01 3.82 -3.402567952e-01 -3.402567952e-01 3.84 -3.210398595e-01 -3.210398595e-01 3.86 -3.027115541e-01 -3.027115541e-01 3.88 -2.852324524e-01 -2.852324524e-01 3.90 -2.685837376e-01 -2.685837376e-01 3.92 -2.527466807e-01 -2.527466807e-01 3.94 -2.377007559e-01 -2.377007559e-01 3.96 -2.234224082e-01 -2.234224082e-01 3.98 -2.098869494e-01 -2.098869494e-01 4.00 -1.970690002e-01 -1.970690002e-01 4.02 -1.849423742e-01 -1.849423742e-01 4.04 -1.734801676e-01 -1.734801676e-01 4.06 -1.626546813e-01 -1.626546813e-01 4.08 -1.524376608e-01 -1.524376608e-01 4.10 -1.427999277e-01 -1.427999277e-01 4.12 -1.337116089e-01 -1.337116089e-01 4.14 -1.251285850e-01 -1.251285850e-01 4.16 -1.169845836e-01 -1.169845836e-01 4.18 -1.092106228e-01 -1.092106228e-01 4.20 -1.017451169e-01 -1.017451169e-01 4.22 -9.456858271e-02 -9.456858271e-02 4.24 -8.767486535e-02 -8.767486535e-02 4.26 -8.106090182e-02 -8.106090182e-02 4.28 -7.472142350e-02 -7.472142350e-02 4.30 -6.864910645e-02 -6.864910645e-02 4.32 -6.283526809e-02 -6.283526809e-02 4.34 -5.727067615e-02 -5.727067615e-02 4.36 -5.194608045e-02 -5.194608045e-02 4.38 -4.685261582e-02 -4.685261582e-02 4.40 -4.198212901e-02 -4.198212901e-02 4.42 -3.732709837e-02 -3.732709837e-02 4.44 -3.288105387e-02 -3.288105387e-02 4.46 -2.863857141e-02 -2.863857141e-02 4.48 -2.459520019e-02 -2.459520019e-02 4.50 -2.074786445e-02 -2.074786445e-02 4.52 -1.709484308e-02 -1.709484308e-02 4.54 -1.363649353e-02 -1.363649353e-02 4.56 -1.037469743e-02 -1.037469743e-02 4.58 -7.312560441e-03 -7.312560441e-03 4.60 -4.454734343e-03 -4.454734343e-03 4.62 -1.807125069e-03 -1.807125069e-03 4.64 6.232778779e-04 6.232778779e-04 4.66 2.829584342e-03 2.829584342e-03 4.68 4.841578739e-03 4.841578739e-03 4.70 6.697238982e-03 6.697238982e-03 4.72 8.429036759e-03 8.429036759e-03 4.74 1.006493840e-02 1.006493840e-02 4.76 1.162902057e-02 1.162902057e-02 4.78 1.315621152e-02 1.315621152e-02 4.80 1.468204762e-02 1.468204762e-02 4.82 1.621236211e-02 1.621236211e-02 4.84 1.774241866e-02 1.774241866e-02 4.86 1.926069904e-02 1.926069904e-02 4.88 2.074866500e-02 2.074866500e-02 4.90 2.218151981e-02 2.218151981e-02 4.92 2.352891082e-02 2.352891082e-02 4.94 2.475638203e-02 2.475638203e-02 4.96 2.582692178e-02 2.582692178e-02 4.98 2.670276289e-02 2.670276289e-02 5.00 2.734723159e-02 2.734723159e-02 5.02 2.772682569e-02 2.772682569e-02 5.04 2.781432841e-02 2.781432841e-02 5.06 2.760026924e-02 2.760026924e-02 5.08 2.709038183e-02 2.709038183e-02 5.10 2.630003516e-02 2.630003516e-02 5.12 2.525500068e-02 2.525500068e-02 5.14 2.399143357e-02 2.399143357e-02 5.16 2.255526652e-02 2.255526652e-02 5.18 2.100062875e-02 2.100062875e-02 5.20 1.938734243e-02 1.938734243e-02 5.22 1.777810262e-02 1.777810262e-02 5.24 1.623641312e-02 1.623641312e-02 5.26 1.481644753e-02 1.481644753e-02 5.28 1.355673090e-02 1.355673090e-02 5.30 1.247677420e-02 1.247677420e-02 5.32 1.157565217e-02 1.157565217e-02 5.34 1.083339008e-02 1.083339008e-02 5.36 1.021458399e-02 1.021458399e-02 5.38 9.674359939e-03 9.674359939e-03 5.40 9.165451476e-03 9.165451476e-03 5.42 8.645386243e-03 8.645386243e-03 5.44 8.082347193e-03 8.082347193e-03 5.46 7.459009038e-03 7.459009038e-03 5.48 6.774107958e-03 6.774107958e-03 5.50 6.041707428e-03 6.041707428e-03 5.52 5.288805630e-03 5.288805630e-03 5.54 4.543187658e-03 4.543187658e-03 5.56 3.818283867e-03 3.818283867e-03 5.58 3.128345687e-03 3.128345687e-03 5.60 2.488289335e-03 2.488289335e-03 5.62 1.911683014e-03 1.911683014e-03 5.64 1.409194462e-03 1.409194462e-03 5.66 9.875854450e-04 9.875854450e-04 5.68 6.493035325e-04 6.493035325e-04 5.70 3.923180672e-04 3.923180672e-04 5.72 2.105936445e-04 2.105936445e-04 5.74 9.435346255e-05 9.435346255e-05 5.76 3.083176139e-05 3.083176139e-05 5.78 4.961617960e-06 4.961617960e-06 5.80 1.716944201e-08 1.716944201e-08 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