# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgPdPt2 # 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 2024-04-11 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 3.819729676e+02 3.819729676e+02 1.30 3.556367098e+02 3.556367098e+02 1.32 3.310875354e+02 3.310875354e+02 1.34 3.081910388e+02 3.081910388e+02 1.36 2.868243849e+02 2.868243849e+02 1.38 2.668761535e+02 2.668761535e+02 1.40 2.482471084e+02 2.482471084e+02 1.42 2.308499335e+02 2.308499335e+02 1.44 2.146043418e+02 2.146043418e+02 1.46 1.994312717e+02 1.994312717e+02 1.48 1.852521954e+02 1.852521954e+02 1.50 1.719923083e+02 1.719923083e+02 1.52 1.595824996e+02 1.595824996e+02 1.54 1.479587743e+02 1.479587743e+02 1.56 1.370613087e+02 1.370613087e+02 1.58 1.268344747e+02 1.268344747e+02 1.60 1.172272400e+02 1.172272400e+02 1.62 1.081930739e+02 1.081930739e+02 1.64 9.968951440e+01 9.968951440e+01 1.66 9.167811588e+01 9.167811588e+01 1.68 8.412506198e+01 8.412506198e+01 1.70 7.700179572e+01 7.700179572e+01 1.72 7.031497718e+01 7.031497718e+01 1.74 6.414755473e+01 6.414755473e+01 1.76 5.847282674e+01 5.847282674e+01 1.78 5.325201360e+01 5.325201360e+01 1.80 4.844722847e+01 4.844722847e+01 1.82 4.402311909e+01 4.402311909e+01 1.84 3.994832160e+01 3.994832160e+01 1.86 3.619595554e+01 3.619595554e+01 1.88 3.274302541e+01 3.274302541e+01 1.90 2.956904841e+01 2.956904841e+01 1.92 2.665454368e+01 2.665454368e+01 1.94 2.398007055e+01 2.398007055e+01 1.96 2.152615565e+01 2.152615565e+01 1.98 1.927387249e+01 1.927387249e+01 2.00 1.720555561e+01 1.720555561e+01 2.02 1.530524850e+01 1.530524850e+01 2.04 1.355879106e+01 1.355879106e+01 2.06 1.195365646e+01 1.195365646e+01 2.08 1.047868519e+01 1.047868519e+01 2.10 9.123813940e+00 9.123813940e+00 2.12 7.879846611e+00 7.879846611e+00 2.14 6.738291881e+00 6.738291881e+00 2.16 5.691273933e+00 5.691273933e+00 2.18 4.731504259e+00 4.731504259e+00 2.20 3.852286948e+00 3.852286948e+00 2.22 3.047524518e+00 3.047524518e+00 2.24 2.311708197e+00 2.311708197e+00 2.26 1.639888140e+00 1.639888140e+00 2.28 1.027626641e+00 1.027626641e+00 2.30 4.709387310e-01 4.709387310e-01 2.32 -3.377800143e-02 -3.377800143e-02 2.34 -4.898194358e-01 -4.898194358e-01 2.36 -9.002533275e-01 -9.002533275e-01 2.38 -1.267993565e+00 -1.267993565e+00 2.40 -1.595865229e+00 -1.595865229e+00 2.42 -1.886656644e+00 -1.886656644e+00 2.44 -2.143154860e+00 -2.143154860e+00 2.46 -2.368909142e+00 -2.368909142e+00 2.48 -2.569000690e+00 -2.569000690e+00 2.50 -2.745620530e+00 -2.745620530e+00 2.52 -2.900807728e+00 -2.900807728e+00 2.54 -3.036653037e+00 -3.036653037e+00 2.56 -3.155204380e+00 -3.155204380e+00 2.58 -3.258359669e+00 -3.258359669e+00 2.60 -3.347773982e+00 -3.347773982e+00 2.62 -3.424806071e+00 -3.424806071e+00 2.64 -3.490515469e+00 -3.490515469e+00 2.66 -3.545699897e+00 -3.545699897e+00 2.68 -3.590957282e+00 -3.590957282e+00 2.70 -3.626749732e+00 -3.626749732e+00 2.72 -3.653457264e+00 -3.653457264e+00 2.74 -3.671446127e+00 -3.671446127e+00 2.76 -3.681274152e+00 -3.681274152e+00 2.78 -3.683197420e+00 -3.683197420e+00 2.80 -3.677419941e+00 -3.677419941e+00 2.82 -3.664177415e+00 -3.664177415e+00 2.84 -3.643743542e+00 -3.643743542e+00 2.86 -3.616441120e+00 -3.616441120e+00 2.88 -3.582657753e+00 -3.582657753e+00 2.90 -3.542862900e+00 -3.542862900e+00 2.92 -3.497621212e+00 -3.497621212e+00 2.94 -3.447602106e+00 -3.447602106e+00 2.96 -3.393583379e+00 -3.393583379e+00 2.98 -3.336399104e+00 -3.336399104e+00 3.00 -3.276887855e+00 -3.276887855e+00 3.02 -3.215840554e+00 -3.215840554e+00 3.04 -3.153951475e+00 -3.153951475e+00 3.06 -3.091783873e+00 -3.091783873e+00 3.08 -3.029753686e+00 -3.029753686e+00 3.10 -2.968135136e+00 -2.968135136e+00 3.12 -2.907080271e+00 -2.907080271e+00 3.14 -2.846648042e+00 -2.846648042e+00 3.16 -2.786832102e+00 -2.786832102e+00 3.18 -2.727588053e+00 -2.727588053e+00 3.20 -2.668853674e+00 -2.668853674e+00 3.22 -2.610563624e+00 -2.610563624e+00 3.24 -2.552659087e+00 -2.552659087e+00 3.26 -2.495093555e+00 -2.495093555e+00 3.28 -2.437859614e+00 -2.437859614e+00 3.30 -2.381051515e+00 -2.381051515e+00 3.32 -2.324775460e+00 -2.324775460e+00 3.34 -2.269126316e+00 -2.269126316e+00 3.36 -2.214189931e+00 -2.214189931e+00 3.38 -2.160044301e+00 -2.160044301e+00 3.40 -2.106760072e+00 -2.106760072e+00 3.42 -2.054400921e+00 -2.054400921e+00 3.44 -2.003023403e+00 -2.003023403e+00 3.46 -1.952677050e+00 -1.952677050e+00 3.48 -1.903404169e+00 -1.903404169e+00 3.50 -1.855242167e+00 -1.855242167e+00 3.52 -1.808229591e+00 -1.808229591e+00 3.54 -1.762377923e+00 -1.762377923e+00 3.56 -1.717689303e+00 -1.717689303e+00 3.58 -1.674159270e+00 -1.674159270e+00 3.60 -1.631776620e+00 -1.631776620e+00 3.62 -1.590523436e+00 -1.590523436e+00 3.64 -1.550375279e+00 -1.550375279e+00 3.66 -1.511301558e+00 -1.511301558e+00 3.68 -1.473266081e+00 -1.473266081e+00 3.70 -1.436227677e+00 -1.436227677e+00 3.72 -1.400136003e+00 -1.400136003e+00 3.74 -1.364926263e+00 -1.364926263e+00 3.76 -1.330533114e+00 -1.330533114e+00 3.78 -1.296893363e+00 -1.296893363e+00 3.80 -1.263946873e+00 -1.263946873e+00 3.82 -1.231637398e+00 -1.231637398e+00 3.84 -1.199913299e+00 -1.199913299e+00 3.86 -1.168728073e+00 -1.168728073e+00 3.88 -1.138040679e+00 -1.138040679e+00 3.90 -1.107815686e+00 -1.107815686e+00 3.92 -1.078023233e+00 -1.078023233e+00 3.94 -1.048639404e+00 -1.048639404e+00 3.96 -1.019645754e+00 -1.019645754e+00 3.98 -9.910299634e-01 -9.910299634e-01 4.00 -9.627861502e-01 -9.627861502e-01 4.02 -9.349154452e-01 -9.349154452e-01 4.04 -9.074266170e-01 -9.074266170e-01 4.06 -8.803365939e-01 -8.803365939e-01 4.08 -8.536706889e-01 -8.536706889e-01 4.10 -8.274621625e-01 -8.274621625e-01 4.12 -8.017519205e-01 -8.017519205e-01 4.14 -7.765857137e-01 -7.765857137e-01 4.16 -7.520123610e-01 -7.520123610e-01 4.18 -7.280803954e-01 -7.280803954e-01 4.20 -7.048345686e-01 -7.048345686e-01 4.22 -6.823123876e-01 -6.823123876e-01 4.24 -6.605410885e-01 -6.605410885e-01 4.26 -6.395353995e-01 -6.395353995e-01 4.28 -6.192963193e-01 -6.192963193e-01 4.30 -5.998109775e-01 -5.998109775e-01 4.32 -5.810534779e-01 -5.810534779e-01 4.34 -5.629865029e-01 -5.629865029e-01 4.36 -5.455633912e-01 -5.455633912e-01 4.38 -5.287303977e-01 -5.287303977e-01 4.40 -5.124288906e-01 -5.124288906e-01 4.42 -4.965973149e-01 -4.965973149e-01 4.44 -4.811728315e-01 -4.811728315e-01 4.46 -4.660926118e-01 -4.660926118e-01 4.48 -4.512948230e-01 -4.512948230e-01 4.50 -4.367193719e-01 -4.367193719e-01 4.52 -4.223084943e-01 -4.223084943e-01 4.54 -4.080072785e-01 -4.080072785e-01 4.56 -3.937642071e-01 -3.937642071e-01 4.58 -3.795317901e-01 -3.795317901e-01 4.60 -3.652673405e-01 -3.652673405e-01 4.62 -3.509339300e-01 -3.509339300e-01 4.64 -3.365015289e-01 -3.365015289e-01 4.66 -3.219483100e-01 -3.219483100e-01 4.68 -3.072620597e-01 -3.072620597e-01 4.70 -2.924416047e-01 -2.924416047e-01 4.72 -2.774981231e-01 -2.774981231e-01 4.74 -2.624561829e-01 -2.624561829e-01 4.76 -2.473543258e-01 -2.473543258e-01 4.78 -2.322450203e-01 -2.322450203e-01 4.80 -2.171936546e-01 -2.171936546e-01 4.82 -2.022775665e-01 -2.022775665e-01 4.84 -1.875822972e-01 -1.875822972e-01 4.86 -1.731990203e-01 -1.731990203e-01 4.88 -1.592203726e-01 -1.592203726e-01 4.90 -1.457362211e-01 -1.457362211e-01 4.92 -1.328295107e-01 -1.328295107e-01 4.94 -1.205725563e-01 -1.205725563e-01 4.96 -1.090240954e-01 -1.090240954e-01 4.98 -9.822732058e-02 -9.822732058e-02 5.00 -8.820898914e-02 -8.820898914e-02 5.02 -7.897958331e-02 -7.897958331e-02 5.04 -7.053438353e-02 -7.053438353e-02 5.06 -6.285524552e-02 -6.285524552e-02 5.08 -5.591283397e-02 -5.591283397e-02 5.10 -4.966907844e-02 -4.966907844e-02 5.12 -4.407963051e-02 -4.407963051e-02 5.14 -3.909616033e-02 -3.909616033e-02 5.16 -3.466838184e-02 -3.466838184e-02 5.18 -3.074575417e-02 -3.074575417e-02 5.20 -2.727881023e-02 -2.727881023e-02 5.22 -2.422019011e-02 -2.422019011e-02 5.24 -2.152535101e-02 -2.152535101e-02 5.26 -1.915276221e-02 -1.915276221e-02 5.28 -1.706385261e-02 -1.706385261e-02 5.30 -1.522508350e-02 -1.522508350e-02 5.32 -1.360616158e-02 -1.360616158e-02 5.34 -1.217987921e-02 -1.217987921e-02 5.36 -1.092215081e-02 -1.092215081e-02 5.38 -9.811816787e-03 -9.811816787e-03 5.40 -8.830332492e-03 -8.830332492e-03 5.42 -7.961428430e-03 -7.961428430e-03 5.44 -7.190990278e-03 -7.190990278e-03 5.46 -6.506810902e-03 -6.506810902e-03 5.48 -5.898350910e-03 -5.898350910e-03 5.50 -5.356513618e-03 -5.356513618e-03 5.52 -4.873438274e-03 -4.873438274e-03 5.54 -4.442314133e-03 -4.442314133e-03 5.56 -4.057216858e-03 -4.057216858e-03 5.58 -3.712967705e-03 -3.712967705e-03 5.60 -3.405014949e-03 -3.405014949e-03 5.62 -3.129336114e-03 -3.129336114e-03 5.64 -2.882358825e-03 -2.882358825e-03 5.66 -2.660897610e-03 -2.660897610e-03 5.68 -2.462103795e-03 -2.462103795e-03 5.70 -2.283425672e-03 -2.283425672e-03 5.72 -2.122576408e-03 -2.122576408e-03 5.74 -1.977507556e-03 -1.977507556e-03 5.76 -1.846386506e-03 -1.846386506e-03 5.78 -1.727576662e-03 -1.727576662e-03 5.80 -1.619619513e-03 -1.619619513e-03 5.82 -1.521218106e-03 -1.521218106e-03 5.84 -1.431221640e-03 -1.431221640e-03 5.86 -1.348611066e-03 -1.348611066e-03 5.88 -1.272485661e-03 -1.272485661e-03 5.90 -1.202050602e-03 -1.202050602e-03 5.92 -1.136605561e-03 -1.136605561e-03 5.94 -1.075534362e-03 -1.075534362e-03 5.96 -1.018295701e-03 -1.018295701e-03 5.98 -9.644149193e-04 -9.644149193e-04 6.00 -9.134768176e-04 -9.134768176e-04