# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = FIdRb2 # 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 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 nan nan 1.30 nan nan 1.32 nan nan 1.34 nan nan 1.36 nan nan 1.38 nan nan 1.40 4.047722552e+06 4.047722552e+06 1.42 3.266567937e+06 3.266567937e+06 1.44 2.643940901e+06 2.643940901e+06 1.46 2.146120117e+06 2.146120117e+06 1.48 1.746880691e+06 1.746880691e+06 1.50 1.425756658e+06 1.425756658e+06 1.52 1.166723273e+06 1.166723273e+06 1.54 9.571916716e+05 9.571916716e+05 1.56 7.872421235e+05 7.872421235e+05 1.58 6.490330451e+05 6.490330451e+05 1.60 5.363472913e+05 5.363472913e+05 1.62 4.442412728e+05 4.442412728e+05 1.64 3.687727356e+05 3.687727356e+05 1.66 3.067893904e+05 3.067893904e+05 1.68 2.557637366e+05 2.557637366e+05 1.70 2.136636692e+05 2.136636692e+05 1.72 1.788513632e+05 1.788513632e+05 1.74 1.500034193e+05 1.500034193e+05 1.76 1.260479587e+05 1.260479587e+05 1.78 1.061145795e+05 1.061145795e+05 1.80 8.949491499e+04 8.949491499e+04 1.82 7.561114993e+04 7.561114993e+04 1.84 6.399084741e+04 6.399084741e+04 1.86 5.424693824e+04 5.424693824e+04 1.88 4.606167747e+04 4.606167747e+04 1.90 3.917363684e+04 3.917363684e+04 1.92 3.336720095e+04 3.336720095e+04 1.94 2.846427886e+04 2.846427886e+04 1.96 2.431746883e+04 2.431746883e+04 1.98 2.080452959e+04 2.080452959e+04 2.00 1.782391592e+04 1.782391592e+04 2.02 1.529105888e+04 1.529105888e+04 2.04 1.313547413e+04 1.313547413e+04 2.06 1.129828997e+04 1.129828997e+04 2.08 9.730233181e+03 9.730233181e+03 2.10 8.390015695e+03 8.390015695e+03 2.12 7.242974378e+03 7.242974378e+03 2.14 6.259953148e+03 6.259953148e+03 2.16 5.416402290e+03 5.416402290e+03 2.18 4.691613588e+03 4.691613588e+03 2.20 4.068093643e+03 4.068093643e+03 2.22 3.531042255e+03 3.531042255e+03 2.24 3.067913384e+03 3.067913384e+03 2.26 2.668075058e+03 2.668075058e+03 2.28 2.322489018e+03 2.322489018e+03 2.30 2.023464812e+03 2.023464812e+03 2.32 1.764450753e+03 1.764450753e+03 2.34 1.539858222e+03 1.539858222e+03 2.36 1.344913651e+03 1.344913651e+03 2.38 1.175534456e+03 1.175534456e+03 2.40 1.028225234e+03 1.028225234e+03 2.42 8.999923972e+02 8.999923972e+02 2.44 7.882602943e+02 7.882602943e+02 2.46 6.908186322e+02 6.908186322e+02 2.48 6.057648809e+02 6.057648809e+02 2.50 5.314630945e+02 5.314630945e+02 2.52 4.665012592e+02 4.665012592e+02 2.54 4.096596141e+02 4.096596141e+02 2.56 3.598823619e+02 3.598823619e+02 2.58 3.162632271e+02 3.162632271e+02 2.60 2.780123714e+02 2.780123714e+02 2.62 2.444471958e+02 2.444471958e+02 2.64 2.149753579e+02 2.149753579e+02 2.66 1.890809191e+02 1.890809191e+02 2.68 1.663160498e+02 1.663160498e+02 2.70 1.462911367e+02 1.462911367e+02 2.72 1.286669091e+02 1.286669091e+02 2.74 1.131476722e+02 1.131476722e+02 2.76 9.947548769e+01 9.947548769e+01 2.78 8.742516208e+01 8.742516208e+01 2.80 7.679992757e+01 7.679992757e+01 2.82 6.742771286e+01 6.742771286e+01 2.84 5.915785013e+01 5.915785013e+01 2.86 5.185825898e+01 5.185825898e+01 2.88 4.541385025e+01 4.541385025e+01 2.90 3.972307784e+01 3.972307784e+01 2.92 3.469737178e+01 3.469737178e+01 2.94 3.025794380e+01 3.025794380e+01 2.96 2.633607489e+01 2.633607489e+01 2.98 2.287131941e+01 2.287131941e+01 3.00 1.981049783e+01 1.981049783e+01 3.02 1.710677726e+01 1.710677726e+01 3.04 1.471795772e+01 1.471795772e+01 3.06 1.260856902e+01 1.260856902e+01 3.08 1.074669841e+01 1.074669841e+01 3.10 9.103985348e+00 9.103985348e+00 3.12 7.655383144e+00 7.655383144e+00 3.14 6.378784046e+00 6.378784046e+00 3.16 5.254605854e+00 5.254605854e+00 3.18 4.265456966e+00 4.265456966e+00 3.20 3.396030318e+00 3.396030318e+00 3.22 2.632885343e+00 2.632885343e+00 3.24 1.963968910e+00 1.963968910e+00 3.26 1.378529860e+00 1.378529860e+00 3.28 8.673255079e-01 8.673255079e-01 3.30 4.219856998e-01 4.219856998e-01 3.32 3.512606694e-02 3.512606694e-02 3.34 -3.000017618e-01 -3.000017618e-01 3.36 -5.892318070e-01 -5.892318070e-01 3.38 -8.376092190e-01 -8.376092190e-01 3.40 -1.049761310e+00 -1.049761310e+00 3.42 -1.229802244e+00 -1.229802244e+00 3.44 -1.381392137e+00 -1.381392137e+00 3.46 -1.507789267e+00 -1.507789267e+00 3.48 -1.611896170e+00 -1.611896170e+00 3.50 -1.696299504e+00 -1.696299504e+00 3.52 -1.763300824e+00 -1.763300824e+00 3.54 -1.814968921e+00 -1.814968921e+00 3.56 -1.853146266e+00 -1.853146266e+00 3.58 -1.879478705e+00 -1.879478705e+00 3.60 -1.895438635e+00 -1.895438635e+00 3.62 -1.902343973e+00 -1.902343973e+00 3.64 -1.901374830e+00 -1.901374830e+00 3.66 -1.893588145e+00 -1.893588145e+00 3.68 -1.880022421e+00 -1.880022421e+00 3.70 -1.861550828e+00 -1.861550828e+00 3.72 -1.838769071e+00 -1.838769071e+00 3.74 -1.812361955e+00 -1.812361955e+00 3.76 -1.782941674e+00 -1.782941674e+00 3.78 -1.751053802e+00 -1.751053802e+00 3.80 -1.717180547e+00 -1.717180547e+00 3.82 -1.681754095e+00 -1.681754095e+00 3.84 -1.645153316e+00 -1.645153316e+00 3.86 -1.607711087e+00 -1.607711087e+00 3.88 -1.569718383e+00 -1.569718383e+00 3.90 -1.531427977e+00 -1.531427977e+00 3.92 -1.493057842e+00 -1.493057842e+00 3.94 -1.454796632e+00 -1.454796632e+00 3.96 -1.416805180e+00 -1.416805180e+00 3.98 -1.379260860e+00 -1.379260860e+00 4.00 -1.342315297e+00 -1.342315297e+00 4.02 -1.305937466e+00 -1.305937466e+00 4.04 -1.270198063e+00 -1.270198063e+00 4.06 -1.235149855e+00 -1.235149855e+00 4.08 -1.200834347e+00 -1.200834347e+00 4.10 -1.167277984e+00 -1.167277984e+00 4.12 -1.134496071e+00 -1.134496071e+00 4.14 -1.102494411e+00 -1.102494411e+00 4.16 -1.071270815e+00 -1.071270815e+00 4.18 -1.040816488e+00 -1.040816488e+00 4.20 -1.011117295e+00 -1.011117295e+00 4.22 -9.821548938e-01 -9.821548938e-01 4.24 -9.539077546e-01 -9.539077546e-01 4.26 -9.263520601e-01 -9.263520601e-01 4.28 -8.994624936e-01 -8.994624936e-01 4.30 -8.732129208e-01 -8.732129208e-01 4.32 -8.475766801e-01 -8.475766801e-01 4.34 -8.225279292e-01 -8.225279292e-01 4.36 -7.980412641e-01 -7.980412641e-01 4.38 -7.740922008e-01 -7.740922008e-01 4.40 -7.506574929e-01 -7.506574929e-01 4.42 -7.277153251e-01 -7.277153251e-01 4.44 -7.052454527e-01 -7.052454527e-01 4.46 -6.832292933e-01 -6.832292933e-01 4.48 -6.616499774e-01 -6.616499774e-01 4.50 -6.406735223e-01 -6.406735223e-01 4.52 -6.201317408e-01 -6.201317408e-01 4.54 -5.999423483e-01 -5.999423483e-01 4.56 -5.801026296e-01 -5.801026296e-01 4.58 -5.606103674e-01 -5.606103674e-01 4.60 -5.414638759e-01 -5.414638759e-01 4.62 -5.226620171e-01 -5.226620171e-01 4.64 -5.042042038e-01 -5.042042038e-01 4.66 -4.860903875e-01 -4.860903875e-01 4.68 -4.683210347e-01 -4.683210347e-01 4.70 -4.508970925e-01 -4.508970925e-01 4.72 -4.338199440e-01 -4.338199440e-01 4.74 -4.170913566e-01 -4.170913566e-01 4.76 -4.007134225e-01 -4.007134225e-01 4.78 -3.846884945e-01 -3.846884945e-01 4.80 -3.690191179e-01 -3.690191179e-01 4.82 -3.537079594e-01 -3.537079594e-01 4.84 -3.387577353e-01 -3.387577353e-01 4.86 -3.241711391e-01 -3.241711391e-01 4.88 -3.099651809e-01 -3.099651809e-01 4.90 -2.961787301e-01 -2.961787301e-01 4.92 -2.827528966e-01 -2.827528966e-01 4.94 -2.696908751e-01 -2.696908751e-01 4.96 -2.569943573e-01 -2.569943573e-01 4.98 -2.446656100e-01 -2.446656100e-01 5.00 -2.327074633e-01 -2.327074633e-01 5.02 -2.211209393e-01 -2.211209393e-01 5.04 -2.099064558e-01 -2.099064558e-01 5.06 -1.990638098e-01 -1.990638098e-01 5.08 -1.885921669e-01 -1.885921669e-01 5.10 -1.784900576e-01 -1.784900576e-01 5.12 -1.687553779e-01 -1.687553779e-01 5.14 -1.593853969e-01 -1.593853969e-01 5.16 -1.503767684e-01 -1.503767684e-01 5.18 -1.417257410e-01 -1.417257410e-01 5.20 -1.334277388e-01 -1.334277388e-01 5.22 -1.254774558e-01 -1.254774558e-01 5.24 -1.178693128e-01 -1.178693128e-01 5.26 -1.105972373e-01 -1.105972373e-01 5.28 -1.036546975e-01 -1.036546975e-01 5.30 -9.703473911e-02 -9.703473911e-02 5.32 -9.073002193e-02 -9.073002193e-02 5.34 -8.473285879e-02 -8.473285879e-02 5.36 -7.903525412e-02 -7.903525412e-02 5.38 -7.362894292e-02 -7.362894292e-02 5.40 -6.850542925e-02 -6.850542925e-02 5.42 -6.365602427e-02 -6.365602427e-02 5.44 -5.907188324e-02 -5.907188324e-02 5.46 -5.474404143e-02 -5.474404143e-02 5.48 -5.066344868e-02 -5.066344868e-02 5.50 -4.682100250e-02 -4.682100250e-02 5.52 -4.320757954e-02 -4.320757954e-02 5.54 -3.981406527e-02 -3.981406527e-02 5.56 -3.663138203e-02 -3.663138203e-02 5.58 -3.365051520e-02 -3.365051520e-02 5.60 -3.086253755e-02 -3.086253755e-02 5.62 -2.825863181e-02 -2.825863181e-02 5.64 -2.583011144e-02 -2.583011144e-02 5.66 -2.356843967e-02 -2.356843967e-02 5.68 -2.146524677e-02 -2.146524677e-02 5.70 -1.951234571e-02 -1.951234571e-02 5.72 -1.770174613e-02 -1.770174613e-02 5.74 -1.602566685e-02 -1.602566685e-02 5.76 -1.447654672e-02 -1.447654672e-02 5.78 -1.307575609e-02 -1.307575609e-02 5.80 -1.184198956e-02 -1.184198956e-02 5.82 -1.070108556e-02 -1.070108556e-02 5.84 -9.648017444e-03 -9.648017444e-03 5.86 -8.677852482e-03 -8.677852482e-03 5.88 -7.785766372e-03 -7.785766372e-03 5.90 -6.967056513e-03 -6.967056513e-03 5.92 -6.217153892e-03 -6.217153892e-03 5.94 -5.531633551e-03 -5.531633551e-03 5.96 -4.906223607e-03 -4.906223607e-03 5.98 -4.336812821e-03 -4.336812821e-03 6.00 -3.819456731e-03 -3.819456731e-03