# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-In-N # implementation = 2009--Do-E-C--Ga-In-N--LAMMPS--ipr1 # composition = GaInN2 # 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 1.746383548e+03 1.746383548e+03 0.86 1.600532947e+03 1.600532947e+03 0.88 1.466357434e+03 1.466357434e+03 0.90 1.342947606e+03 1.342947606e+03 0.92 1.229466204e+03 1.229466204e+03 0.94 1.125141622e+03 1.125141622e+03 0.96 1.029262112e+03 1.029262112e+03 0.98 9.411706146e+02 9.411706146e+02 1.00 8.602601710e+02 8.602601710e+02 1.02 7.859698380e+02 7.859698380e+02 1.04 7.177810381e+02 7.177810381e+02 1.06 6.552142875e+02 6.552142875e+02 1.08 5.978262390e+02 5.978262390e+02 1.10 5.452070005e+02 5.452070005e+02 1.12 4.969776800e+02 4.969776800e+02 1.14 4.527881344e+02 4.527881344e+02 1.16 4.123148872e+02 4.123148872e+02 1.18 3.752592037e+02 3.752592037e+02 1.20 3.413452993e+02 3.413452993e+02 1.22 3.103186742e+02 3.103186742e+02 1.24 2.819445612e+02 2.819445612e+02 1.26 2.560064779e+02 2.560064779e+02 1.28 2.323048782e+02 2.323048782e+02 1.30 2.106558939e+02 2.106558939e+02 1.32 1.908901636e+02 1.908901636e+02 1.34 1.728517409e+02 1.728517409e+02 1.36 1.563970803e+02 1.563970803e+02 1.38 1.413940926e+02 1.413940926e+02 1.40 1.277212690e+02 1.277212690e+02 1.42 1.152668669e+02 1.152668669e+02 1.44 1.039281556e+02 1.039281556e+02 1.46 9.361071641e+01 9.361071641e+01 1.48 8.422779477e+01 8.422779477e+01 1.50 7.569970065e+01 7.569970065e+01 1.52 6.795325324e+01 6.795325324e+01 1.54 6.092126822e+01 6.092126822e+01 1.56 5.454208304e+01 5.454208304e+01 1.58 4.875911926e+01 4.875911926e+01 1.60 4.352047744e+01 4.352047744e+01 1.62 3.877856404e+01 3.877856404e+01 1.64 3.448974645e+01 3.448974645e+01 1.66 3.061403520e+01 3.061403520e+01 1.68 2.711479063e+01 2.711479063e+01 1.70 2.395845254e+01 2.395845254e+01 1.72 2.111429104e+01 2.111429104e+01 1.74 1.855417678e+01 1.855417678e+01 1.76 1.625236956e+01 1.625236956e+01 1.78 1.418532324e+01 1.418532324e+01 1.80 1.233150649e+01 1.233150649e+01 1.82 1.067123741e+01 1.067123741e+01 1.84 9.186531534e+00 9.186531534e+00 1.86 7.860961778e+00 7.860961778e+00 1.88 6.679529724e+00 6.679529724e+00 1.90 5.628547082e+00 5.628547082e+00 1.92 4.695526724e+00 4.695526724e+00 1.94 3.869082491e+00 3.869082491e+00 1.96 3.138837008e+00 3.138837008e+00 1.98 2.495337043e+00 2.495337043e+00 2.00 1.929975609e+00 1.929975609e+00 2.02 1.434920498e+00 1.434920498e+00 2.04 1.003048522e+00 1.003048522e+00 2.06 6.278852133e-01 6.278852133e-01 2.08 3.035493686e-01 3.035493686e-01 2.10 2.470220424e-02 2.470220424e-02 2.12 -2.134993550e-01 -2.134993550e-01 2.14 -4.154455212e-01 -4.154455212e-01 2.16 -5.851129474e-01 -5.851129474e-01 2.18 -7.261007954e-01 -7.261007954e-01 2.20 -8.416637779e-01 -8.416637779e-01 2.22 -9.347424865e-01 -9.347424865e-01 2.24 -1.007991144e+00 -1.007991144e+00 2.26 -1.063803073e+00 -1.063803073e+00 2.28 -1.104333986e+00 -1.104333986e+00 2.30 -1.131523340e+00 -1.131523340e+00 2.32 -1.147113866e+00 -1.147113866e+00 2.34 -1.152669448e+00 -1.152669448e+00 2.36 -1.149591477e+00 -1.149591477e+00 2.38 -1.139133801e+00 -1.139133801e+00 2.40 -1.122416402e+00 -1.122416402e+00 2.42 -1.100437881e+00 -1.100437881e+00 2.44 -1.074086870e+00 -1.074086870e+00 2.46 -1.044152450e+00 -1.044152450e+00 2.48 -1.011333656e+00 -1.011333656e+00 2.50 -9.762481539e-01 -9.762481539e-01 2.52 -9.394401467e-01 -9.394401467e-01 2.54 -9.013875820e-01 -9.013875820e-01 2.56 -8.625087186e-01 -8.625087186e-01 2.58 -8.231681037e-01 -8.231681037e-01 2.60 -7.836820118e-01 -7.836820118e-01 2.62 -7.443233922e-01 -7.443233922e-01 2.64 -7.053263631e-01 -7.053263631e-01 2.66 -6.668902958e-01 -6.668902958e-01 2.68 -6.291835204e-01 -6.291835204e-01 2.70 -5.923466874e-01 -5.923466874e-01 2.72 -5.564958135e-01 -5.564958135e-01 2.74 -5.217250415e-01 -5.217250415e-01 2.76 -4.881091356e-01 -4.881091356e-01 2.78 -4.557057386e-01 -4.557057386e-01 2.80 -4.245574101e-01 -4.245574101e-01 2.82 -3.946934650e-01 -3.946934650e-01 2.84 -3.661316313e-01 -3.661316313e-01 2.86 -3.388795418e-01 -3.388795418e-01 2.88 -3.129360757e-01 -3.129360757e-01 2.90 -2.882925634e-01 -2.882925634e-01 2.92 -2.649338660e-01 -2.649338660e-01 2.94 -2.428393431e-01 -2.428393431e-01 2.96 -2.219837161e-01 -2.219837161e-01 2.98 -2.023378404e-01 -2.023378404e-01 3.00 -1.838693909e-01 -1.838693909e-01 3.02 -1.665434727e-01 -1.665434727e-01 3.04 -1.503231617e-01 -1.503231617e-01 3.06 -1.351699822e-01 -1.351699822e-01 3.08 -1.210443291e-01 -1.210443291e-01 3.10 -1.079058372e-01 -1.079058372e-01 3.12 -9.571370636e-02 -9.571370636e-02 3.14 -8.442698314e-02 -8.442698314e-02 3.16 -7.400480685e-02 -7.400480685e-02 3.18 -6.440662067e-02 -6.440662067e-02 3.20 -5.559235353e-02 -5.559235353e-02 3.22 -4.752257453e-02 -4.752257453e-02 3.24 -4.015862335e-02 -4.015862335e-02 3.26 -3.346271925e-02 -3.346271925e-02 3.28 -2.739805047e-02 -2.739805047e-02 3.30 -2.192884716e-02 -2.192884716e-02 3.32 -1.702043833e-02 -1.702043833e-02 3.34 -1.263929637e-02 -1.263929637e-02 3.36 -8.753068692e-03 -8.753068692e-03 3.38 -5.330319881e-03 -5.330319881e-03 3.40 -5.143693161e-04 -5.143693161e-04 3.42 2.292774773e-02 2.292774773e-02 3.44 9.810626122e-02 9.810626122e-02 3.46 2.057423801e-01 2.057423801e-01 3.48 2.129796552e-01 2.129796552e-01 3.50 2.130604417e-01 2.130604417e-01 3.52 2.127963403e-01 2.127963403e-01 3.54 2.122134827e-01 2.122134827e-01 3.56 2.113366715e-01 2.113366715e-01 3.58 2.101894216e-01 2.101894216e-01 3.60 2.087940018e-01 2.087940018e-01 3.62 2.071714782e-01 2.071714782e-01 3.64 2.053417572e-01 2.053417572e-01 3.66 2.033236293e-01 2.033236293e-01 3.68 2.011348123e-01 2.011348123e-01 3.70 1.987919945e-01 1.987919945e-01 3.72 1.963108773e-01 1.963108773e-01 3.74 1.937062175e-01 1.937062175e-01 3.76 1.909918682e-01 1.909918682e-01 3.78 1.881808198e-01 1.881808198e-01 3.80 1.852852392e-01 1.852852392e-01 3.82 1.823165087e-01 1.823165087e-01 3.84 1.792852631e-01 1.792852631e-01 3.86 1.762014267e-01 1.762014267e-01 3.88 1.730742482e-01 1.730742482e-01 3.90 1.699123348e-01 1.699123348e-01 3.92 1.649335762e-01 1.649335762e-01 3.94 1.364878299e-01 1.364878299e-01 3.96 4.390108067e-02 4.390108067e-02 3.98 -7.630794669e-02 -7.630794669e-02 4.00 -1.964124711e-22 -1.965062468e-22 4.02 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 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 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