# 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 = AlNi2Ta # 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 1.491142816e+02 1.491142816e+02 1.30 1.376249892e+02 1.376249892e+02 1.32 1.269942844e+02 1.269942844e+02 1.34 1.171497486e+02 1.171497486e+02 1.36 1.080290009e+02 1.080290009e+02 1.38 9.957863584e+01 9.957863584e+01 1.40 9.175191842e+01 9.175191842e+01 1.42 8.450636959e+01 8.450636959e+01 1.44 7.780166029e+01 7.780166029e+01 1.46 7.159810617e+01 7.159810617e+01 1.48 6.585625898e+01 6.585625898e+01 1.50 6.053762741e+01 6.053762741e+01 1.52 5.560585250e+01 5.560585250e+01 1.54 5.102762771e+01 5.102762771e+01 1.56 4.677313345e+01 4.677313345e+01 1.58 4.281606307e+01 4.281606307e+01 1.60 3.913337642e+01 3.913337642e+01 1.62 3.570489928e+01 3.570489928e+01 1.64 3.251280938e+01 3.251280938e+01 1.66 2.954104419e+01 2.954104419e+01 1.68 2.677484489e+01 2.677484489e+01 1.70 2.420387767e+01 2.420387767e+01 1.72 2.181681282e+01 2.181681282e+01 1.74 1.960097363e+01 1.960097363e+01 1.76 1.754463660e+01 1.754463660e+01 1.78 1.563855814e+01 1.563855814e+01 1.80 1.387363377e+01 1.387363377e+01 1.82 1.224114421e+01 1.224114421e+01 1.84 1.073332163e+01 1.073332163e+01 1.86 9.343080736e+00 9.343080736e+00 1.88 8.063675431e+00 8.063675431e+00 1.90 6.888360200e+00 6.888360200e+00 1.92 5.810137894e+00 5.810137894e+00 1.94 4.821658245e+00 4.821658245e+00 1.96 3.915298047e+00 3.915298047e+00 1.98 3.083407352e+00 3.083407352e+00 2.00 2.318655591e+00 2.318655591e+00 2.02 1.614378279e+00 1.614378279e+00 2.04 9.648262147e-01 9.648262147e-01 2.06 3.652575971e-01 3.652575971e-01 2.08 -1.881272653e-01 -1.881272653e-01 2.10 -6.983587567e-01 -6.983587567e-01 2.12 -1.167910423e+00 -1.167910423e+00 2.14 -1.598896550e+00 -1.598896550e+00 2.16 -1.993226742e+00 -1.993226742e+00 2.18 -2.352712580e+00 -2.352712580e+00 2.20 -2.679134172e+00 -2.679134172e+00 2.22 -2.974278070e+00 -2.974278070e+00 2.24 -3.239956452e+00 -3.239956452e+00 2.26 -3.478015183e+00 -3.478015183e+00 2.28 -3.690336946e+00 -3.690336946e+00 2.30 -3.878842754e+00 -3.878842754e+00 2.32 -4.045488772e+00 -4.045488772e+00 2.34 -4.192216802e+00 -4.192216802e+00 2.36 -4.320843816e+00 -4.320843816e+00 2.38 -4.433419946e+00 -4.433419946e+00 2.40 -4.531832444e+00 -4.531832444e+00 2.42 -4.617686213e+00 -4.617686213e+00 2.44 -4.692291412e+00 -4.692291412e+00 2.46 -4.756679415e+00 -4.756679415e+00 2.48 -4.811417752e+00 -4.811417752e+00 2.50 -4.856838658e+00 -4.856838658e+00 2.52 -4.893354437e+00 -4.893354437e+00 2.54 -4.921451721e+00 -4.921451721e+00 2.56 -4.941674656e+00 -4.941674656e+00 2.58 -4.954607569e+00 -4.954607569e+00 2.60 -4.960856091e+00 -4.960856091e+00 2.62 -4.961025829e+00 -4.961025829e+00 2.64 -4.955700741e+00 -4.955700741e+00 2.66 -4.945420437e+00 -4.945420437e+00 2.68 -4.930670088e+00 -4.930670088e+00 2.70 -4.911881387e+00 -4.911881387e+00 2.72 -4.889437704e+00 -4.889437704e+00 2.74 -4.863681838e+00 -4.863681838e+00 2.76 -4.835047985e+00 -4.835047985e+00 2.78 -4.804442259e+00 -4.804442259e+00 2.80 -4.771928780e+00 -4.771928780e+00 2.82 -4.737343788e+00 -4.737343788e+00 2.84 -4.700427111e+00 -4.700427111e+00 2.86 -4.660964004e+00 -4.660964004e+00 2.88 -4.618787353e+00 -4.618787353e+00 2.90 -4.573772459e+00 -4.573772459e+00 2.92 -4.525835707e+00 -4.525835707e+00 2.94 -4.474946499e+00 -4.474946499e+00 2.96 -4.421119271e+00 -4.421119271e+00 2.98 -4.364402874e+00 -4.364402874e+00 3.00 -4.304880776e+00 -4.304880776e+00 3.02 -4.242670583e+00 -4.242670583e+00 3.04 -4.177921853e+00 -4.177921853e+00 3.06 -4.110811396e+00 -4.110811396e+00 3.08 -4.041535701e+00 -4.041535701e+00 3.10 -3.970301395e+00 -3.970301395e+00 3.12 -3.897315295e+00 -3.897315295e+00 3.14 -3.822776249e+00 -3.822776249e+00 3.16 -3.746870486e+00 -3.746870486e+00 3.18 -3.669771392e+00 -3.669771392e+00 3.20 -3.591643254e+00 -3.591643254e+00 3.22 -3.512647683e+00 -3.512647683e+00 3.24 -3.432950880e+00 -3.432950880e+00 3.26 -3.352729899e+00 -3.352729899e+00 3.28 -3.272176402e+00 -3.272176402e+00 3.30 -3.191496945e+00 -3.191496945e+00 3.32 -3.110909458e+00 -3.110909458e+00 3.34 -3.030636245e+00 -3.030636245e+00 3.36 -2.950894410e+00 -2.950894410e+00 3.38 -2.871885016e+00 -2.871885016e+00 3.40 -2.793782487e+00 -2.793782487e+00 3.42 -2.716725689e+00 -2.716725689e+00 3.44 -2.640811764e+00 -2.640811764e+00 3.46 -2.566093409e+00 -2.566093409e+00 3.48 -2.492579676e+00 -2.492579676e+00 3.50 -2.420239992e+00 -2.420239992e+00 3.52 -2.349010744e+00 -2.349010744e+00 3.54 -2.278803614e+00 -2.278803614e+00 3.56 -2.209514824e+00 -2.209514824e+00 3.58 -2.141034547e+00 -2.141034547e+00 3.60 -2.073255885e+00 -2.073255885e+00 3.62 -2.006083002e+00 -2.006083002e+00 3.64 -1.939438156e+00 -1.939438156e+00 3.66 -1.873267521e+00 -1.873267521e+00 3.68 -1.807545767e+00 -1.807545767e+00 3.70 -1.742279376e+00 -1.742279376e+00 3.72 -1.677508674e+00 -1.677508674e+00 3.74 -1.613308487e+00 -1.613308487e+00 3.76 -1.549787281e+00 -1.549787281e+00 3.78 -1.487084618e+00 -1.487084618e+00 3.80 -1.425366792e+00 -1.425366792e+00 3.82 -1.364820563e+00 -1.364820563e+00 3.84 -1.305645099e+00 -1.305645099e+00 3.86 -1.248042434e+00 -1.248042434e+00 3.88 -1.192207010e+00 -1.192207010e+00 3.90 -1.138315099e+00 -1.138315099e+00 3.92 -1.086515051e+00 -1.086515051e+00 3.94 -1.036919324e+00 -1.036919324e+00 3.96 -9.895990359e-01 -9.895990359e-01 3.98 -9.445815613e-01 -9.445815613e-01 4.00 -9.018511715e-01 -9.018511715e-01 4.02 -8.613524101e-01 -8.613524101e-01 4.04 -8.229955749e-01 -8.229955749e-01 4.06 -7.866635450e-01 -7.866635450e-01 4.08 -7.522191979e-01 -7.522191979e-01 4.10 -7.195127758e-01 -7.195127758e-01 4.12 -6.883888004e-01 -6.883888004e-01 4.14 -6.586921147e-01 -6.586921147e-01 4.16 -6.302731248e-01 -6.302731248e-01 4.18 -6.029920629e-01 -6.029920629e-01 4.20 -5.767223599e-01 -5.767223599e-01 4.22 -5.513531598e-01 -5.513531598e-01 4.24 -5.267910122e-01 -5.267910122e-01 4.26 -5.029607686e-01 -5.029607686e-01 4.28 -4.798057118e-01 -4.798057118e-01 4.30 -4.572869632e-01 -4.572869632e-01 4.32 -4.353822475e-01 -4.353822475e-01 4.34 -4.140841305e-01 -4.140841305e-01 4.36 -3.933978736e-01 -3.933978736e-01 4.38 -3.733390512e-01 -3.733390512e-01 4.40 -3.539310515e-01 -3.539310515e-01 4.42 -3.352025355e-01 -3.352025355e-01 4.44 -3.171848833e-01 -3.171848833e-01 4.46 -2.999096272e-01 -2.999096272e-01 4.48 -2.834058843e-01 -2.834058843e-01 4.50 -2.676978430e-01 -2.676978430e-01 4.52 -2.528024215e-01 -2.528024215e-01 4.54 -2.387272699e-01 -2.387272699e-01 4.56 -2.254693061e-01 -2.254693061e-01 4.58 -2.130139463e-01 -2.130139463e-01 4.60 -2.013351252e-01 -2.013351252e-01 4.62 -1.903960871e-01 -1.903960871e-01 4.64 -1.801508472e-01 -1.801508472e-01 4.66 -1.705461360e-01 -1.705461360e-01 4.68 -1.615236607e-01 -1.615236607e-01 4.70 -1.530224598e-01 -1.530224598e-01 4.72 -1.449811509e-01 -1.449811509e-01 4.74 -1.373397066e-01 -1.373397066e-01 4.76 -1.300419153e-01 -1.300419153e-01 4.78 -1.230363240e-01 -1.230363240e-01 4.80 -1.162776973e-01 -1.162776973e-01 4.82 -1.097278884e-01 -1.097278884e-01 4.84 -1.033561630e-01 -1.033561630e-01 4.86 -9.713963974e-02 -9.713963974e-02 4.88 -9.106339681e-02 -9.106339681e-02 4.90 -8.512028544e-02 -8.512028544e-02 4.92 -7.931044551e-02 -7.931044551e-02 4.94 -7.364052677e-02 -7.364052677e-02 4.96 -6.812263466e-02 -6.812263466e-02 4.98 -6.277304150e-02 -6.277304150e-02 5.00 -5.761072873e-02 -5.761072873e-02 5.02 -5.265584852e-02 -5.265584852e-02 5.04 -4.792820808e-02 -4.792820808e-02 5.06 -4.344588226e-02 -4.344588226e-02 5.08 -3.922404881e-02 -3.922404881e-02 5.10 -3.527411678e-02 -3.527411678e-02 5.12 -3.160318617e-02 -3.160318617e-02 5.14 -2.821384177e-02 -2.821384177e-02 5.16 -2.510425287e-02 -2.510425287e-02 5.18 -2.226852334e-02 -2.226852334e-02 5.20 -1.969722670e-02 -1.969722670e-02 5.22 -1.737805575e-02 -1.737805575e-02 5.24 -1.529651676e-02 -1.529651676e-02 5.26 -1.343658953e-02 -1.343658953e-02 5.28 -1.178106016e-02 -1.178106016e-02 5.30 -1.031288865e-02 -1.031288865e-02 5.32 -9.015250348e-03 -9.015250348e-03 5.34 -7.871724421e-03 -7.871724421e-03 5.36 -6.866601973e-03 -6.866601973e-03 5.38 -5.985098710e-03 -5.985098710e-03 5.40 -5.213487122e-03 -5.213487122e-03 5.42 -4.539163750e-03 -4.539163750e-03 5.44 -3.950666139e-03 -3.950666139e-03 5.46 -3.437652464e-03 -3.437652464e-03 5.48 -2.990854835e-03 -2.990854835e-03 5.50 -2.602015238e-03 -2.602015238e-03 5.52 -2.263811187e-03 -2.263811187e-03 5.54 -1.969776460e-03 -1.969776460e-03 5.56 -1.714220882e-03 -1.714220882e-03 5.58 -1.492151943e-03 -1.492151943e-03 5.60 -1.299200135e-03 -1.299200135e-03 5.62 -1.131549169e-03 -1.131549169e-03 5.64 -9.858717231e-04 -9.858717231e-04 5.66 -8.592709510e-04 -8.592709510e-04 5.68 -7.492277572e-04 -7.492277572e-04 5.70 -6.535536154e-04 -6.535536154e-04 5.72 -5.703486209e-04 -5.703486209e-04 5.74 -4.979643874e-04 -4.979643874e-04 5.76 -4.349713694e-04 -4.349713694e-04 5.78 -3.801301849e-04 -3.801301849e-04 5.80 -3.323665258e-04 -3.323665258e-04 5.82 -2.907492578e-04 -2.907492578e-04 5.84 -2.544713469e-04 -2.544713469e-04 5.86 -2.228332726e-04 -2.228332726e-04 5.88 -1.952286264e-04 -1.952286264e-04 5.90 -1.711316198e-04 -1.711316198e-04 5.92 -1.500862587e-04 -1.500862587e-04 5.94 -1.316969693e-04 -1.316969693e-04 5.96 -1.156204849e-04 -1.156204849e-04 5.98 -1.015588259e-04 -1.015588259e-04 6.00 -8.925322948e-05 -8.925322948e-05