# 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 = AlMoPt2 # 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 3.098531187e+02 3.098531187e+02 1.30 2.892659403e+02 2.892659403e+02 1.32 2.699853794e+02 2.699853794e+02 1.34 2.519231398e+02 2.519231398e+02 1.36 2.350086601e+02 2.350086601e+02 1.38 2.191794805e+02 2.191794805e+02 1.40 2.043747731e+02 2.043747731e+02 1.42 1.905332170e+02 1.905332170e+02 1.44 1.775920234e+02 1.775920234e+02 1.46 1.654875379e+02 1.654875379e+02 1.48 1.541581947e+02 1.541581947e+02 1.50 1.435464754e+02 1.435464754e+02 1.52 1.335977342e+02 1.335977342e+02 1.54 1.242582846e+02 1.242582846e+02 1.56 1.154753346e+02 1.154753346e+02 1.58 1.071984767e+02 1.071984767e+02 1.60 9.938121511e+01 9.938121511e+01 1.62 9.198195436e+01 9.198195436e+01 1.64 8.496480471e+01 8.496480471e+01 1.66 7.830038864e+01 7.830038864e+01 1.68 7.196622560e+01 7.196622560e+01 1.70 6.594619409e+01 6.594619409e+01 1.72 6.022903303e+01 6.022903303e+01 1.74 5.480621640e+01 5.480621640e+01 1.76 4.967058953e+01 4.967058953e+01 1.78 4.483530784e+01 4.483530784e+01 1.80 4.038984991e+01 4.038984991e+01 1.82 3.632232156e+01 3.632232156e+01 1.84 3.260489877e+01 3.260489877e+01 1.86 2.921139611e+01 2.921139611e+01 1.88 2.611719970e+01 2.611719970e+01 1.90 2.329863239e+01 2.329863239e+01 1.92 2.073232880e+01 2.073232880e+01 1.94 1.839511242e+01 1.839511242e+01 1.96 1.626453945e+01 1.626453945e+01 1.98 1.431976229e+01 1.431976229e+01 2.00 1.254217169e+01 1.254217169e+01 2.02 1.091553767e+01 1.091553767e+01 2.04 9.425751470e+00 9.425751470e+00 2.06 8.060430679e+00 8.060430679e+00 2.08 6.808569282e+00 6.808569282e+00 2.10 5.660277470e+00 5.660277470e+00 2.12 4.606593139e+00 4.606593139e+00 2.14 3.639352211e+00 3.639352211e+00 2.16 2.751118594e+00 2.751118594e+00 2.18 1.935166023e+00 1.935166023e+00 2.20 1.185484522e+00 1.185484522e+00 2.22 4.967779190e-01 4.967779190e-01 2.24 -1.355683747e-01 -1.355683747e-01 2.26 -7.155506560e-01 -7.155506560e-01 2.28 -1.246630205e+00 -1.246630205e+00 2.30 -1.731823440e+00 -1.731823440e+00 2.32 -2.173790294e+00 -2.173790294e+00 2.34 -2.574917125e+00 -2.574917125e+00 2.36 -2.937393871e+00 -2.937393871e+00 2.38 -3.263285864e+00 -3.263285864e+00 2.40 -3.554599705e+00 -3.554599705e+00 2.42 -3.813340431e+00 -3.813340431e+00 2.44 -4.041555380e+00 -4.041555380e+00 2.46 -4.241360309e+00 -4.241360309e+00 2.48 -4.414945591e+00 -4.414945591e+00 2.50 -4.564562923e+00 -4.564562923e+00 2.52 -4.692493750e+00 -4.692493750e+00 2.54 -4.801000508e+00 -4.801000508e+00 2.56 -4.892263932e+00 -4.892263932e+00 2.58 -4.969282208e+00 -4.969282208e+00 2.60 -5.035339088e+00 -5.035339088e+00 2.62 -5.091496428e+00 -5.091496428e+00 2.64 -5.138583771e+00 -5.138583771e+00 2.66 -5.177234490e+00 -5.177234490e+00 2.68 -5.207913636e+00 -5.207913636e+00 2.70 -5.230954737e+00 -5.230954737e+00 2.72 -5.246597187e+00 -5.246597187e+00 2.74 -5.255019164e+00 -5.255019164e+00 2.76 -5.256363614e+00 -5.256363614e+00 2.78 -5.250721644e+00 -5.250721644e+00 2.80 -5.238115224e+00 -5.238115224e+00 2.82 -5.218585840e+00 -5.218585840e+00 2.84 -5.192210720e+00 -5.192210720e+00 2.86 -5.159120492e+00 -5.159120492e+00 2.88 -5.120153894e+00 -5.120153894e+00 2.90 -5.075703077e+00 -5.075703077e+00 2.92 -5.025768514e+00 -5.025768514e+00 2.94 -4.970481249e+00 -4.970481249e+00 2.96 -4.910103329e+00 -4.910103329e+00 2.98 -4.845015324e+00 -4.845015324e+00 3.00 -4.775689483e+00 -4.775689483e+00 3.02 -4.702659312e+00 -4.702659312e+00 3.04 -4.626489478e+00 -4.626489478e+00 3.06 -4.547710793e+00 -4.547710793e+00 3.08 -4.466785385e+00 -4.466785385e+00 3.10 -4.384089738e+00 -4.384089738e+00 3.12 -4.299910119e+00 -4.299910119e+00 3.14 -4.214448031e+00 -4.214448031e+00 3.16 -4.127832373e+00 -4.127832373e+00 3.18 -4.040135656e+00 -4.040135656e+00 3.20 -3.951391803e+00 -3.951391803e+00 3.22 -3.861613934e+00 -3.861613934e+00 3.24 -3.770810979e+00 -3.770810979e+00 3.26 -3.679002444e+00 -3.679002444e+00 3.28 -3.586230924e+00 -3.586230924e+00 3.30 -3.492572149e+00 -3.492572149e+00 3.32 -3.398142314e+00 -3.398142314e+00 3.34 -3.303102461e+00 -3.303102461e+00 3.36 -3.207659632e+00 -3.207659632e+00 3.38 -3.112064597e+00 -3.112064597e+00 3.40 -3.016616612e+00 -3.016616612e+00 3.42 -2.921807154e+00 -2.921807154e+00 3.44 -2.828239896e+00 -2.828239896e+00 3.46 -2.736463798e+00 -2.736463798e+00 3.48 -2.646954730e+00 -2.646954730e+00 3.50 -2.560104760e+00 -2.560104760e+00 3.52 -2.476216001e+00 -2.476216001e+00 3.54 -2.395499541e+00 -2.395499541e+00 3.56 -2.318079250e+00 -2.318079250e+00 3.58 -2.243999658e+00 -2.243999658e+00 3.60 -2.173236710e+00 -2.173236710e+00 3.62 -2.105710091e+00 -2.105710091e+00 3.64 -2.041295900e+00 -2.041295900e+00 3.66 -1.979838694e+00 -1.979838694e+00 3.68 -1.921162220e+00 -1.921162220e+00 3.70 -1.865078476e+00 -1.865078476e+00 3.72 -1.811394992e+00 -1.811394992e+00 3.74 -1.759920402e+00 -1.759920402e+00 3.76 -1.710468526e+00 -1.710468526e+00 3.78 -1.662861193e+00 -1.662861193e+00 3.80 -1.616930094e+00 -1.616930094e+00 3.82 -1.572517879e+00 -1.572517879e+00 3.84 -1.529478734e+00 -1.529478734e+00 3.86 -1.487678581e+00 -1.487678581e+00 3.88 -1.446995040e+00 -1.446995040e+00 3.90 -1.407317257e+00 -1.407317257e+00 3.92 -1.368545658e+00 -1.368545658e+00 3.94 -1.330591723e+00 -1.330591723e+00 3.96 -1.293377752e+00 -1.293377752e+00 3.98 -1.256836755e+00 -1.256836755e+00 4.00 -1.220912402e+00 -1.220912402e+00 4.02 -1.185559079e+00 -1.185559079e+00 4.04 -1.150741998e+00 -1.150741998e+00 4.06 -1.116437323e+00 -1.116437323e+00 4.08 -1.082632214e+00 -1.082632214e+00 4.10 -1.049324677e+00 -1.049324677e+00 4.12 -1.016523159e+00 -1.016523159e+00 4.14 -9.842456163e-01 -9.842456163e-01 4.16 -9.525182390e-01 -9.525182390e-01 4.18 -9.213736471e-01 -9.213736471e-01 4.20 -8.908487243e-01 -8.908487243e-01 4.22 -8.609822272e-01 -8.609822272e-01 4.24 -8.318123545e-01 -8.318123545e-01 4.26 -8.033744525e-01 -8.033744525e-01 4.28 -7.756989896e-01 -7.756989896e-01 4.30 -7.488098608e-01 -7.488098608e-01 4.32 -7.227230284e-01 -7.227230284e-01 4.34 -6.974454732e-01 -6.974454732e-01 4.36 -6.729744302e-01 -6.729744302e-01 4.38 -6.492969098e-01 -6.492969098e-01 4.40 -6.263895328e-01 -6.263895328e-01 4.42 -6.042187195e-01 -6.042187195e-01 4.44 -5.827412645e-01 -5.827412645e-01 4.46 -5.619052974e-01 -5.619052974e-01 4.48 -5.416515933e-01 -5.416515933e-01 4.50 -5.219151663e-01 -5.219151663e-01 4.52 -5.026270630e-01 -5.026270630e-01 4.54 -4.837162788e-01 -4.837162788e-01 4.56 -4.651117339e-01 -4.651117339e-01 4.58 -4.467442727e-01 -4.467442727e-01 4.60 -4.285486699e-01 -4.285486699e-01 4.62 -4.104656425e-01 -4.104656425e-01 4.64 -3.924438678e-01 -3.924438678e-01 4.66 -3.744419899e-01 -3.744419899e-01 4.68 -3.564305776e-01 -3.564305776e-01 4.70 -3.383939521e-01 -3.383939521e-01 4.72 -3.203317676e-01 -3.203317676e-01 4.74 -3.022601880e-01 -3.022601880e-01 4.76 -2.842124810e-01 -2.842124810e-01 4.78 -2.662388481e-01 -2.662388481e-01 4.80 -2.484053359e-01 -2.484053359e-01 4.82 -2.307917821e-01 -2.307917821e-01 4.84 -2.134887103e-01 -2.134887103e-01 4.86 -1.965934371e-01 -1.965934371e-01 4.88 -1.802055352e-01 -1.802055352e-01 4.90 -1.644220364e-01 -1.644220364e-01 4.92 -1.493327630e-01 -1.493327630e-01 4.94 -1.350161797e-01 -1.350161797e-01 4.96 -1.215360977e-01 -1.215360977e-01 4.98 -1.089394564e-01 -1.089394564e-01 5.00 -9.725527792e-02 -9.725527792e-02 5.02 -8.649475658e-02 -8.649475658e-02 5.04 -7.665233708e-02 -7.665233708e-02 5.06 -6.770755972e-02 -6.770755972e-02 5.08 -5.962741641e-02 -5.962741641e-02 5.10 -5.236896395e-02 -5.236896395e-02 5.12 -4.588197095e-02 -4.588197095e-02 5.14 -4.011143953e-02 -4.011143953e-02 5.16 -3.499982907e-02 -3.499982907e-02 5.18 -3.048897113e-02 -3.048897113e-02 5.20 -2.652160660e-02 -2.652160660e-02 5.22 -2.304258149e-02 -2.304258149e-02 5.24 -1.999969987e-02 -1.999969987e-02 5.26 -1.734423938e-02 -1.734423938e-02 5.28 -1.503209423e-02 -1.503209423e-02 5.30 -1.302229522e-02 -1.302229522e-02 5.32 -1.127745544e-02 -1.127745544e-02 5.34 -9.764201029e-03 -9.764201029e-03 5.36 -8.452907150e-03 -8.452907150e-03 5.38 -7.317400336e-03 -7.317400336e-03 5.40 -6.334648468e-03 -6.334648468e-03 5.42 -5.484452724e-03 -5.484452724e-03 5.44 -4.749150764e-03 -4.749150764e-03 5.46 -4.113336964e-03 -4.113336964e-03 5.48 -3.563603005e-03 -3.563603005e-03 5.50 -3.088300400e-03 -3.088300400e-03 5.52 -2.677325337e-03 -2.677325337e-03 5.54 -2.321925382e-03 -2.321925382e-03 5.56 -2.014527043e-03 -2.014527043e-03 5.58 -1.748582857e-03 -1.748582857e-03 5.60 -1.518436478e-03 -1.518436478e-03 5.62 -1.319204164e-03 -1.319204164e-03 5.64 -1.146671041e-03 -1.146671041e-03 5.66 -9.972005972e-04 -9.972005972e-04 5.68 -8.676559183e-04 -8.676559183e-04 5.70 -7.553313104e-04 -7.553313104e-04 5.72 -6.578930403e-04 -6.578930403e-04 5.74 -5.733280663e-04 -5.733280663e-04 5.76 -4.998997381e-04 -4.998997381e-04 5.78 -4.361095616e-04 -4.361095616e-04 5.80 -3.806642255e-04 -3.806642255e-04 5.82 -3.324471868e-04 -3.324471868e-04 5.84 -2.904941969e-04 -2.904941969e-04 5.86 -2.539722305e-04 -2.539722305e-04 5.88 -2.221613488e-04 -2.221613488e-04 5.90 -1.944390914e-04 -1.944390914e-04 5.92 -1.702670445e-04 -1.702670445e-04 5.94 -1.491792826e-04 -1.491792826e-04 5.96 -1.307724209e-04 -1.307724209e-04 5.98 -1.146970529e-04 -1.146970529e-04 6.00 -1.006503793e-04 -1.006503793e-04