# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2021--Deluigi-O-R-Pasianot-R-C-Valencia-F-J-et-al--Fe-Ni-Cr-Co-Cu # implementation = 2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = Co2CrFe # 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 -3.075113541e+02 -3.075113541e+02 1.04 -2.946713415e+02 -2.946713415e+02 1.06 -2.827456869e+02 -2.827456869e+02 1.08 -2.716879978e+02 -2.716879978e+02 1.10 -2.610690567e+02 -2.610690567e+02 1.12 -2.505008487e+02 -2.505008487e+02 1.14 -2.398913271e+02 -2.398913271e+02 1.16 -2.292435138e+02 -2.292435138e+02 1.18 -2.187307339e+02 -2.187307339e+02 1.20 -2.086551100e+02 -2.086551100e+02 1.22 -1.992252241e+02 -1.992252241e+02 1.24 -1.905689195e+02 -1.905689195e+02 1.26 -1.827733169e+02 -1.827733169e+02 1.28 -1.758580203e+02 -1.758580203e+02 1.30 -1.696075130e+02 -1.696075130e+02 1.32 -1.637450999e+02 -1.637450999e+02 1.34 -1.580472687e+02 -1.580472687e+02 1.36 -1.524264249e+02 -1.524264249e+02 1.38 -1.468621272e+02 -1.468621272e+02 1.40 -1.412880900e+02 -1.412880900e+02 1.42 -1.355707408e+02 -1.355707408e+02 1.44 -1.296138765e+02 -1.296138765e+02 1.46 -1.233654712e+02 -1.233654712e+02 1.48 -1.168222779e+02 -1.168222779e+02 1.50 -1.100578624e+02 -1.100578624e+02 1.52 -1.031639512e+02 -1.031639512e+02 1.54 -9.620911784e+01 -9.620911784e+01 1.56 -8.922037892e+01 -8.922037892e+01 1.58 -8.221695232e+01 -8.221695232e+01 1.60 -7.523585566e+01 -7.523585566e+01 1.62 -6.834096255e+01 -6.834096255e+01 1.64 -6.163139085e+01 -6.163139085e+01 1.66 -5.521004506e+01 -5.521004506e+01 1.68 -4.912621934e+01 -4.912621934e+01 1.70 -4.336121184e+01 -4.336121184e+01 1.72 -3.789202959e+01 -3.789202959e+01 1.74 -3.271286883e+01 -3.271286883e+01 1.76 -2.782782383e+01 -2.782782383e+01 1.78 -2.322098838e+01 -2.322098838e+01 1.80 -1.886775380e+01 -1.886775380e+01 1.82 -1.477304223e+01 -1.477304223e+01 1.84 -1.107296078e+01 -1.107296078e+01 1.86 -7.910309485e+00 -7.910309485e+00 1.88 -5.588994722e+00 -5.588994722e+00 1.90 -3.962271150e+00 -3.962271150e+00 1.92 -2.861778388e+00 -2.861778388e+00 1.94 -2.157974514e+00 -2.157974514e+00 1.96 -1.753046079e+00 -1.753046079e+00 1.98 -1.567845691e+00 -1.567845691e+00 2.00 -1.540574254e+00 -1.540574254e+00 2.02 -1.622908358e+00 -1.622908358e+00 2.04 -1.776132880e+00 -1.776132880e+00 2.06 -1.970870616e+00 -1.970870616e+00 2.08 -2.185616642e+00 -2.185616642e+00 2.10 -2.405277984e+00 -2.405277984e+00 2.12 -2.620283638e+00 -2.620283638e+00 2.14 -2.825101221e+00 -2.825101221e+00 2.16 -3.017135706e+00 -3.017135706e+00 2.18 -3.195855077e+00 -3.195855077e+00 2.20 -3.358682072e+00 -3.358682072e+00 2.22 -3.502929277e+00 -3.502929277e+00 2.24 -3.629819089e+00 -3.629819089e+00 2.26 -3.741548607e+00 -3.741548607e+00 2.28 -3.840107954e+00 -3.840107954e+00 2.30 -3.926641666e+00 -3.926641666e+00 2.32 -4.001479723e+00 -4.001479723e+00 2.34 -4.065034769e+00 -4.065034769e+00 2.36 -4.117903102e+00 -4.117903102e+00 2.38 -4.160904225e+00 -4.160904225e+00 2.40 -4.194728330e+00 -4.194728330e+00 2.42 -4.219926145e+00 -4.219926145e+00 2.44 -4.236979019e+00 -4.236979019e+00 2.46 -4.246670433e+00 -4.246670433e+00 2.48 -4.249911616e+00 -4.249911616e+00 2.50 -4.247629371e+00 -4.247629371e+00 2.52 -4.239758026e+00 -4.239758026e+00 2.54 -4.225377922e+00 -4.225377922e+00 2.56 -4.204110297e+00 -4.204110297e+00 2.58 -4.176053870e+00 -4.176053870e+00 2.60 -4.141533631e+00 -4.141533631e+00 2.62 -4.100966239e+00 -4.100966239e+00 2.64 -4.054830390e+00 -4.054830390e+00 2.66 -4.003611439e+00 -4.003611439e+00 2.68 -3.947644844e+00 -3.947644844e+00 2.70 -3.887199522e+00 -3.887199522e+00 2.72 -3.822564446e+00 -3.822564446e+00 2.74 -3.754095457e+00 -3.754095457e+00 2.76 -3.682320826e+00 -3.682320826e+00 2.78 -3.608009748e+00 -3.608009748e+00 2.80 -3.532139113e+00 -3.532139113e+00 2.82 -3.455792999e+00 -3.455792999e+00 2.84 -3.380007771e+00 -3.380007771e+00 2.86 -3.305706742e+00 -3.305706742e+00 2.88 -3.233609467e+00 -3.233609467e+00 2.90 -3.164146505e+00 -3.164146505e+00 2.92 -3.097508942e+00 -3.097508942e+00 2.94 -3.033702596e+00 -3.033702596e+00 2.96 -2.972580386e+00 -2.972580386e+00 2.98 -2.914034338e+00 -2.914034338e+00 3.00 -2.856240740e+00 -2.856240740e+00 3.02 -2.795199246e+00 -2.795199246e+00 3.04 -2.726886574e+00 -2.726886574e+00 3.06 -2.647274441e+00 -2.647274441e+00 3.08 -2.552329062e+00 -2.552329062e+00 3.10 -2.438284272e+00 -2.438284272e+00 3.12 -2.301830585e+00 -2.301830585e+00 3.14 -2.140075263e+00 -2.140075263e+00 3.16 -1.950595665e+00 -1.950595665e+00 3.18 -1.732619750e+00 -1.732619750e+00 3.20 -1.493820563e+00 -1.493820563e+00 3.22 -1.245729448e+00 -1.245729448e+00 3.24 -9.992224422e-01 -9.992224422e-01 3.26 -7.640762425e-01 -7.640762425e-01 3.28 -5.483853683e-01 -5.483853683e-01 3.30 -3.578706235e-01 -3.578706235e-01 3.32 -1.953545951e-01 -1.953545951e-01 3.34 -6.070697435e-02 -6.070697435e-02 3.36 4.856939390e-02 4.856939390e-02 3.38 1.363908002e-01 1.363908002e-01 3.40 2.070592004e-01 2.070592004e-01 3.42 2.644135461e-01 2.644135461e-01 3.44 3.114502829e-01 3.114502829e-01 3.46 3.503010758e-01 3.503010758e-01 3.48 3.824227244e-01 3.824227244e-01 3.50 4.088523868e-01 4.088523868e-01 3.52 4.304313983e-01 4.304313983e-01 3.54 4.479553191e-01 4.479553191e-01 3.56 4.622411176e-01 4.622411176e-01 3.58 4.740624594e-01 4.740624594e-01 3.60 4.840402903e-01 4.840402903e-01 3.62 4.926908945e-01 4.926908945e-01 3.64 5.004395542e-01 5.004395542e-01 3.66 5.076190975e-01 5.076190975e-01 3.68 5.144784030e-01 5.144784030e-01 3.70 5.211943467e-01 5.211943467e-01 3.72 5.278798572e-01 5.278798572e-01 3.74 5.345914825e-01 5.345914825e-01 3.76 5.413366705e-01 5.413366705e-01 3.78 5.480805441e-01 5.480805441e-01 3.80 5.547520674e-01 5.547520674e-01 3.82 5.612500100e-01 5.612500100e-01 3.84 5.674468304e-01 5.674468304e-01 3.86 5.732111682e-01 5.732111682e-01 3.88 5.785552593e-01 5.785552593e-01 3.90 5.835707550e-01 5.835707550e-01 3.92 5.883504779e-01 5.883504779e-01 3.94 5.929590890e-01 5.929590890e-01 3.96 5.974076173e-01 5.974076173e-01 3.98 6.016971985e-01 6.016971985e-01 4.00 6.058252432e-01 6.058252432e-01 4.02 6.097852648e-01 6.097852648e-01 4.04 6.135678577e-01 6.135678577e-01 4.06 6.171602791e-01 6.171602791e-01 4.08 6.205475250e-01 6.205475250e-01 4.10 6.237119858e-01 6.237119858e-01 4.12 6.266340691e-01 6.266340691e-01 4.14 6.292936401e-01 6.292936401e-01 4.16 6.316709605e-01 6.316709605e-01 4.18 6.337450019e-01 6.337450019e-01 4.20 6.354880770e-01 6.354880770e-01 4.22 6.368424768e-01 6.368424768e-01 4.24 6.377392676e-01 6.377392676e-01 4.26 6.381093211e-01 6.381093211e-01 4.28 6.378828564e-01 6.378828564e-01 4.30 6.369895765e-01 6.369895765e-01 4.32 6.353589574e-01 6.353589574e-01 4.34 6.329195499e-01 6.329195499e-01 4.36 6.296001388e-01 6.296001388e-01 4.38 6.253265888e-01 6.253265888e-01 4.40 6.200134300e-01 6.200134300e-01 4.42 6.135877481e-01 6.135877481e-01 4.44 6.059792449e-01 6.059792449e-01 4.46 5.971092619e-01 5.971092619e-01 4.48 5.868832889e-01 5.868832889e-01 4.50 5.751890842e-01 5.751890842e-01 4.52 5.619060231e-01 5.619060231e-01 4.54 5.469804278e-01 5.469804278e-01 4.56 5.304509200e-01 5.304509200e-01 4.58 5.123450567e-01 5.123450567e-01 4.60 4.926748199e-01 4.926748199e-01 4.62 4.714367843e-01 4.714367843e-01 4.64 4.486149109e-01 4.486149109e-01 4.66 4.241870469e-01 4.241870469e-01 4.68 3.981342193e-01 3.981342193e-01 4.70 3.704521587e-01 3.704521587e-01 4.72 3.411631761e-01 3.411631761e-01 4.74 3.103287447e-01 3.103287447e-01 4.76 2.780569210e-01 2.780569210e-01 4.78 2.445074923e-01 2.445074923e-01 4.80 2.098894847e-01 2.098894847e-01 4.82 1.744501180e-01 1.744501180e-01 4.84 1.384718186e-01 1.384718186e-01 4.86 1.022615320e-01 1.022615320e-01 4.88 6.614226203e-02 6.614226203e-02 4.90 3.044370256e-02 3.044370256e-02 4.92 -4.502895562e-03 -4.502895562e-03 4.94 -3.837930530e-02 -3.837930530e-02 4.96 -7.065130768e-02 -7.065130768e-02 4.98 -9.971909015e-02 -9.971909015e-02 5.00 -1.242979095e-01 -1.242979095e-01 5.02 -1.437201232e-01 -1.437201232e-01 5.04 -1.578732050e-01 -1.578732050e-01 5.06 -1.671142107e-01 -1.671142107e-01 5.08 -1.721533462e-01 -1.721533462e-01 5.10 -1.739206522e-01 -1.739206522e-01 5.12 -1.734289799e-01 -1.734289799e-01 5.14 -1.716364021e-01 -1.716364021e-01 5.16 -1.693194735e-01 -1.693194735e-01 5.18 -1.669703913e-01 -1.669703913e-01 5.20 -1.647299501e-01 -1.647299501e-01 5.22 -1.623691791e-01 -1.623691791e-01 5.24 -1.593502440e-01 -1.593502440e-01 5.26 -1.549857826e-01 -1.549857826e-01 5.28 -1.486152356e-01 -1.486152356e-01 5.30 -1.397647098e-01 -1.397647098e-01 5.32 -1.282661829e-01 -1.282661829e-01 5.34 -1.143131392e-01 -1.143131392e-01 5.36 -9.844327365e-02 -9.844327365e-02 5.38 -8.145345096e-02 -8.145345096e-02 5.40 -6.427034153e-02 -6.427034153e-02 5.42 -4.780764096e-02 -4.780764096e-02 5.44 -3.284350319e-02 -3.284350319e-02 5.46 -1.994080103e-02 -1.994080103e-02 5.48 -9.416776790e-03 -9.416776790e-03 5.50 -1.355969352e-03 -1.355969352e-03 5.52 4.347740410e-03 4.347740410e-03 5.54 7.940558194e-03 7.940558194e-03 5.56 9.755677571e-03 9.755677571e-03 5.58 1.017108014e-02 1.017108014e-02 5.60 9.571331489e-03 9.571331489e-03 5.62 8.318480986e-03 8.318480986e-03 5.64 6.730422201e-03 6.730422201e-03 5.66 5.066324206e-03 5.066324206e-03 5.68 3.519908272e-03 3.519908272e-03 5.70 2.219509732e-03 2.219509732e-03 5.72 1.230738464e-03 1.230738464e-03 5.74 5.647791393e-04 5.647791393e-04 5.76 1.877520760e-04 1.877520760e-04 5.78 3.057745496e-05 3.057745496e-05 5.80 1.882260861e-07 1.882260861e-07 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