# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuMn2Ni # 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 2024-01-04 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 7.224584843e+02 7.224584843e+02 1.00 6.695778445e+02 6.695778445e+02 1.02 6.208019316e+02 6.208019316e+02 1.04 5.758174041e+02 5.758174041e+02 1.06 5.343527807e+02 5.343527807e+02 1.08 4.961780835e+02 4.961780835e+02 1.10 4.609305998e+02 4.609305998e+02 1.12 4.282325383e+02 4.282325383e+02 1.14 3.977457398e+02 3.977457398e+02 1.16 3.691862862e+02 3.691862862e+02 1.18 3.423338793e+02 3.423338793e+02 1.20 3.170334950e+02 3.170334950e+02 1.22 2.931968766e+02 2.931968766e+02 1.24 2.707884293e+02 2.707884293e+02 1.26 2.498161149e+02 2.498161149e+02 1.28 2.302636781e+02 2.302636781e+02 1.30 2.120393934e+02 2.120393934e+02 1.32 1.950250616e+02 1.950250616e+02 1.34 1.791049022e+02 1.791049022e+02 1.36 1.641771688e+02 1.641771688e+02 1.38 1.502044584e+02 1.502044584e+02 1.40 1.371879639e+02 1.371879639e+02 1.42 1.251254174e+02 1.251254174e+02 1.44 1.139782106e+02 1.139782106e+02 1.46 1.036781153e+02 1.036781153e+02 1.48 9.414321562e+01 9.414321562e+01 1.50 8.529831083e+01 8.529831083e+01 1.52 7.708692837e+01 7.708692837e+01 1.54 6.945817008e+01 6.945817008e+01 1.56 6.238747009e+01 6.238747009e+01 1.58 5.586949848e+01 5.586949848e+01 1.60 4.989366571e+01 4.989366571e+01 1.62 4.432162714e+01 4.432162714e+01 1.64 3.923711932e+01 3.923711932e+01 1.66 3.464736658e+01 3.464736658e+01 1.68 3.052248194e+01 3.052248194e+01 1.70 2.681608102e+01 2.681608102e+01 1.72 2.348295360e+01 2.348295360e+01 1.74 2.047747149e+01 2.047747149e+01 1.76 1.775847788e+01 1.775847788e+01 1.78 1.529043163e+01 1.529043163e+01 1.80 1.305044036e+01 1.305044036e+01 1.82 1.102831726e+01 1.102831726e+01 1.84 9.212749015e+00 9.212749015e+00 1.86 7.589725353e+00 7.589725353e+00 1.88 6.144771297e+00 6.144771297e+00 1.90 4.864379912e+00 4.864379912e+00 1.92 3.734067624e+00 3.734067624e+00 1.94 2.738477074e+00 2.738477074e+00 1.96 1.863692871e+00 1.863692871e+00 1.98 1.095837356e+00 1.095837356e+00 2.00 4.209586858e-01 4.209586858e-01 2.02 -1.747885744e-01 -1.747885744e-01 2.04 -6.997825660e-01 -6.997825660e-01 2.06 -1.160429034e+00 -1.160429034e+00 2.08 -1.562068659e+00 -1.562068659e+00 2.10 -1.909668686e+00 -1.909668686e+00 2.12 -2.208175851e+00 -2.208175851e+00 2.14 -2.461378194e+00 -2.461378194e+00 2.16 -2.672434051e+00 -2.672434051e+00 2.18 -2.844451270e+00 -2.844451270e+00 2.20 -2.980266662e+00 -2.980266662e+00 2.22 -3.082848098e+00 -3.082848098e+00 2.24 -3.156166442e+00 -3.156166442e+00 2.26 -3.206299176e+00 -3.206299176e+00 2.28 -3.239653546e+00 -3.239653546e+00 2.30 -3.262856607e+00 -3.262856607e+00 2.32 -3.281852703e+00 -3.281852703e+00 2.34 -3.299818010e+00 -3.299818010e+00 2.36 -3.317981592e+00 -3.317981592e+00 2.38 -3.335394200e+00 -3.335394200e+00 2.40 -3.350873967e+00 -3.350873967e+00 2.42 -3.363258320e+00 -3.363258320e+00 2.44 -3.371360661e+00 -3.371360661e+00 2.46 -3.373999740e+00 -3.373999740e+00 2.48 -3.370621292e+00 -3.370621292e+00 2.50 -3.361138612e+00 -3.361138612e+00 2.52 -3.345597138e+00 -3.345597138e+00 2.54 -3.324204549e+00 -3.324204549e+00 2.56 -3.297160142e+00 -3.297160142e+00 2.58 -3.264620222e+00 -3.264620222e+00 2.60 -3.226906914e+00 -3.226906914e+00 2.62 -3.185057259e+00 -3.185057259e+00 2.64 -3.139468119e+00 -3.139468119e+00 2.66 -3.090477172e+00 -3.090477172e+00 2.68 -3.038176186e+00 -3.038176186e+00 2.70 -2.982291295e+00 -2.982291295e+00 2.72 -2.922814432e+00 -2.922814432e+00 2.74 -2.860328069e+00 -2.860328069e+00 2.76 -2.795508677e+00 -2.795508677e+00 2.78 -2.729058176e+00 -2.729058176e+00 2.80 -2.661694212e+00 -2.661694212e+00 2.82 -2.594145490e+00 -2.594145490e+00 2.84 -2.527286261e+00 -2.527286261e+00 2.86 -2.462247151e+00 -2.462247151e+00 2.88 -2.400174912e+00 -2.400174912e+00 2.90 -2.342207004e+00 -2.342207004e+00 2.92 -2.289471354e+00 -2.289471354e+00 2.94 -2.242943755e+00 -2.242943755e+00 2.96 -2.202139599e+00 -2.202139599e+00 2.98 -2.165981356e+00 -2.165981356e+00 3.00 -2.133323635e+00 -2.133323635e+00 3.02 -2.102783543e+00 -2.102783543e+00 3.04 -2.072930651e+00 -2.072930651e+00 3.06 -2.042463770e+00 -2.042463770e+00 3.08 -2.010178963e+00 -2.010178963e+00 3.10 -1.974683674e+00 -1.974683674e+00 3.12 -1.934581835e+00 -1.934581835e+00 3.14 -1.888478052e+00 -1.888478052e+00 3.16 -1.835090155e+00 -1.835090155e+00 3.18 -1.774060013e+00 -1.774060013e+00 3.20 -1.706495270e+00 -1.706495270e+00 3.22 -1.633734122e+00 -1.633734122e+00 3.24 -1.557124584e+00 -1.557124584e+00 3.26 -1.478024218e+00 -1.478024218e+00 3.28 -1.397818209e+00 -1.397818209e+00 3.30 -1.317949292e+00 -1.317949292e+00 3.32 -1.239790906e+00 -1.239790906e+00 3.34 -1.164298178e+00 -1.164298178e+00 3.36 -1.092289554e+00 -1.092289554e+00 3.38 -1.024580143e+00 -1.024580143e+00 3.40 -9.619393182e-01 -9.619393182e-01 3.42 -9.044393998e-01 -9.044393998e-01 3.44 -8.515734344e-01 -8.515734344e-01 3.46 -8.028120990e-01 -8.028120990e-01 3.48 -7.576414871e-01 -7.576414871e-01 3.50 -7.156999235e-01 -7.156999235e-01 3.52 -6.766921764e-01 -6.766921764e-01 3.54 -6.403175583e-01 -6.403175583e-01 3.56 -6.062694150e-01 -6.062694150e-01 3.58 -5.742352535e-01 -5.742352535e-01 3.60 -5.439010423e-01 -5.439010423e-01 3.62 -5.149521980e-01 -5.149521980e-01 3.64 -4.871280540e-01 -4.871280540e-01 3.66 -4.603998689e-01 -4.603998689e-01 3.68 -4.347933620e-01 -4.347933620e-01 3.70 -4.103309894e-01 -4.103309894e-01 3.72 -3.870310892e-01 -3.870310892e-01 3.74 -3.649075853e-01 -3.649075853e-01 3.76 -3.439704554e-01 -3.439704554e-01 3.78 -3.242256039e-01 -3.242256039e-01 3.80 -3.056741978e-01 -3.056741978e-01 3.82 -2.883225786e-01 -2.883225786e-01 3.84 -2.721665337e-01 -2.721665337e-01 3.86 -2.571889412e-01 -2.571889412e-01 3.88 -2.433752561e-01 -2.433752561e-01 3.90 -2.307088523e-01 -2.307088523e-01 3.92 -2.191278560e-01 -2.191278560e-01 3.94 -2.085392952e-01 -2.085392952e-01 3.96 -1.988478707e-01 -1.988478707e-01 3.98 -1.899539705e-01 -1.899539705e-01 4.00 -1.817588515e-01 -1.817588515e-01 4.02 -1.741721781e-01 -1.741721781e-01 4.04 -1.671505005e-01 -1.671505005e-01 4.06 -1.606617269e-01 -1.606617269e-01 4.08 -1.546736503e-01 -1.546736503e-01 4.10 -1.491541275e-01 -1.491541275e-01 4.12 -1.440714282e-01 -1.440714282e-01 4.14 -1.393946455e-01 -1.393946455e-01 4.16 -1.350580449e-01 -1.350580449e-01 4.18 -1.308929299e-01 -1.308929299e-01 4.20 -1.268477579e-01 -1.268477579e-01 4.22 -1.228858536e-01 -1.228858536e-01 4.24 -1.190021449e-01 -1.190021449e-01 4.26 -1.151976077e-01 -1.151976077e-01 4.28 -1.114721488e-01 -1.114721488e-01 4.30 -1.078272304e-01 -1.078272304e-01 4.32 -1.042635696e-01 -1.042635696e-01 4.34 -1.007825476e-01 -1.007825476e-01 4.36 -9.738730470e-02 -9.738730470e-02 4.38 -9.407744238e-02 -9.407744238e-02 4.40 -9.085539997e-02 -9.085539997e-02 4.42 -8.772436717e-02 -8.772436717e-02 4.44 -8.467796054e-02 -8.467796054e-02 4.46 -8.171606953e-02 -8.171606953e-02 4.48 -7.884135719e-02 -7.884135719e-02 4.50 -7.603350845e-02 -7.603350845e-02 4.52 -7.322617551e-02 -7.322617551e-02 4.54 -7.049615454e-02 -7.049615454e-02 4.56 -6.791325691e-02 -6.791325691e-02 4.58 -6.552496639e-02 -6.552496639e-02 4.60 -6.340145677e-02 -6.340145677e-02 4.62 -6.149277348e-02 -6.149277348e-02 4.64 -5.959156958e-02 -5.959156958e-02 4.66 -5.757277265e-02 -5.757277265e-02 4.68 -5.538236596e-02 -5.538236596e-02 4.70 -5.302247458e-02 -5.302247458e-02 4.72 -5.053820941e-02 -5.053820941e-02 4.74 -4.800223275e-02 -4.800223275e-02 4.76 -4.550377471e-02 -4.550377471e-02 4.78 -4.319487778e-02 -4.319487778e-02 4.80 -4.114076548e-02 -4.114076548e-02 4.82 -3.910143876e-02 -3.910143876e-02 4.84 -3.705145349e-02 -3.705145349e-02 4.86 -3.500487373e-02 -3.500487373e-02 4.88 -3.297431254e-02 -3.297431254e-02 4.90 -3.097138106e-02 -3.097138106e-02 4.92 -2.900707382e-02 -2.900707382e-02 4.94 -2.709207772e-02 -2.709207772e-02 4.96 -2.523698792e-02 -2.523698792e-02 4.98 -2.345241138e-02 -2.345241138e-02 5.00 -2.174894011e-02 -2.174894011e-02 5.02 -2.013698256e-02 -2.013698256e-02 5.04 -1.862645482e-02 -1.862645482e-02 5.06 -1.722635152e-02 -1.722635152e-02 5.08 -1.594423846e-02 -1.594423846e-02 5.10 -1.478572901e-02 -1.478572901e-02 5.12 -1.375401898e-02 -1.375401898e-02 5.14 -1.284955429e-02 -1.284955429e-02 5.16 -1.206989046e-02 -1.206989046e-02 5.18 -1.140977474e-02 -1.140977474e-02 5.20 -1.086144694e-02 -1.086144694e-02 5.22 -1.041512179e-02 -1.041512179e-02 5.24 -1.005959149e-02 -1.005959149e-02 5.26 -9.782876019e-03 -9.782876019e-03 5.28 -9.572851062e-03 -9.572851062e-03 5.30 -9.417797098e-03 -9.417797098e-03 5.32 -9.306832504e-03 -9.306832504e-03 5.34 -9.230214875e-03 -9.230214875e-03 5.36 -9.179513195e-03 -9.179513195e-03 5.38 -9.147667011e-03 -9.147667011e-03 5.40 -9.128956437e-03 -9.128956437e-03 5.42 -9.118909103e-03 -9.118909103e-03 5.44 -9.114168516e-03 -9.114168516e-03 5.46 -9.112344233e-03 -9.112344233e-03 5.48 -9.111859169e-03 -9.111859169e-03 5.50 -9.111804353e-03 -9.111804353e-03 5.52 -9.111804138e-03 -9.111804138e-03 5.54 -9.111804138e-03 -9.111804138e-03 5.56 -9.111804138e-03 -9.111804138e-03 5.58 -9.111804138e-03 -9.111804138e-03 5.60 -9.111804138e-03 -9.111804138e-03 5.62 -9.111804138e-03 -9.111804138e-03 5.64 -9.111804138e-03 -9.111804138e-03 5.66 -9.111804138e-03 -9.111804138e-03 5.68 -9.111804138e-03 -9.111804138e-03 5.70 -9.111804138e-03 -9.111804138e-03 5.72 -9.111804138e-03 -9.111804138e-03 5.74 -9.111804138e-03 -9.111804138e-03 5.76 -9.111804138e-03 -9.111804138e-03 5.78 -9.111804138e-03 -9.111804138e-03 5.80 -9.111804138e-03 -9.111804138e-03 5.82 -9.111804138e-03 -9.111804138e-03 5.84 -9.111804138e-03 -9.111804138e-03 5.86 -9.111804138e-03 -9.111804138e-03 5.88 -9.111804138e-03 -9.111804138e-03 5.90 -9.111804138e-03 -9.111804138e-03 5.92 -9.111804138e-03 -9.111804138e-03 5.94 -9.111804138e-03 -9.111804138e-03 5.96 -9.111804138e-03 -9.111804138e-03 5.98 -9.111804138e-03 -9.111804138e-03 6.00 -9.111804138e-03 -9.111804138e-03