# 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 = AuTaW2 # 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 4.555952550e+02 4.555952550e+02 1.30 4.221443739e+02 4.221443739e+02 1.32 3.911938658e+02 3.911938658e+02 1.34 3.625278007e+02 3.625278007e+02 1.36 3.359550531e+02 3.359550531e+02 1.38 3.113070350e+02 3.113070350e+02 1.40 2.884347852e+02 2.884347852e+02 1.42 2.672052902e+02 2.672052902e+02 1.44 2.474978767e+02 2.474978767e+02 1.46 2.292015481e+02 2.292015481e+02 1.48 2.122133841e+02 2.122133841e+02 1.50 1.964375901e+02 1.964375901e+02 1.52 1.817848693e+02 1.817848693e+02 1.54 1.681721089e+02 1.681721089e+02 1.56 1.555223932e+02 1.555223932e+02 1.58 1.437650592e+02 1.437650592e+02 1.60 1.328353914e+02 1.328353914e+02 1.62 1.226738360e+02 1.226738360e+02 1.64 1.132249875e+02 1.132249875e+02 1.66 1.044367504e+02 1.044367504e+02 1.68 9.625995508e+01 9.625995508e+01 1.70 8.864845842e+01 8.864845842e+01 1.72 8.155954226e+01 8.155954226e+01 1.74 7.495435511e+01 7.495435511e+01 1.76 6.879818702e+01 6.879818702e+01 1.78 6.306044778e+01 6.306044778e+01 1.80 5.771430214e+01 5.771430214e+01 1.82 5.273601931e+01 5.273601931e+01 1.84 4.810418267e+01 4.810418267e+01 1.86 4.379892591e+01 4.379892591e+01 1.88 3.980131257e+01 3.980131257e+01 1.90 3.609290043e+01 3.609290043e+01 1.92 3.265547525e+01 3.265547525e+01 1.94 2.947107192e+01 2.947107192e+01 1.96 2.652567718e+01 2.652567718e+01 1.98 2.380696518e+01 2.380696518e+01 2.00 2.130437635e+01 2.130437635e+01 2.02 1.899964466e+01 1.899964466e+01 2.04 1.687546826e+01 1.687546826e+01 2.06 1.491597680e+01 1.491597680e+01 2.08 1.310673841e+01 1.310673841e+01 2.10 1.143468636e+01 1.143468636e+01 2.12 9.888021382e+00 9.888021382e+00 2.14 8.456132123e+00 8.456132123e+00 2.16 7.129543225e+00 7.129543225e+00 2.18 5.899871639e+00 5.899871639e+00 2.20 4.759763177e+00 4.759763177e+00 2.22 3.702791999e+00 3.702791999e+00 2.24 2.723324283e+00 2.723324283e+00 2.26 1.816361967e+00 1.816361967e+00 2.28 9.773879317e-01 9.773879317e-01 2.30 2.022316858e-01 2.022316858e-01 2.32 -5.130321023e-01 -5.130321023e-01 2.34 -1.172147508e+00 -1.172147508e+00 2.36 -1.778706052e+00 -1.778706052e+00 2.38 -2.336147920e+00 -2.336147920e+00 2.40 -2.847746581e+00 -2.847746581e+00 2.42 -3.316588118e+00 -3.316588118e+00 2.44 -3.745554342e+00 -3.745554342e+00 2.46 -4.137314843e+00 -4.137314843e+00 2.48 -4.494329023e+00 -4.494329023e+00 2.50 -4.818856226e+00 -4.818856226e+00 2.52 -5.112970955e+00 -5.112970955e+00 2.54 -5.378580314e+00 -5.378580314e+00 2.56 -5.617441528e+00 -5.617441528e+00 2.58 -5.831177928e+00 -5.831177928e+00 2.60 -6.021264637e+00 -6.021264637e+00 2.62 -6.188948759e+00 -6.188948759e+00 2.64 -6.335638559e+00 -6.335638559e+00 2.66 -6.462678534e+00 -6.462678534e+00 2.68 -6.571240770e+00 -6.571240770e+00 2.70 -6.662473340e+00 -6.662473340e+00 2.72 -6.737546093e+00 -6.737546093e+00 2.74 -6.797561866e+00 -6.797561866e+00 2.76 -6.843555611e+00 -6.843555611e+00 2.78 -6.876144208e+00 -6.876144208e+00 2.80 -6.895598640e+00 -6.895598640e+00 2.82 -6.902247839e+00 -6.902247839e+00 2.84 -6.896470740e+00 -6.896470740e+00 2.86 -6.878562540e+00 -6.878562540e+00 2.88 -6.848820611e+00 -6.848820611e+00 2.90 -6.807640130e+00 -6.807640130e+00 2.92 -6.755512856e+00 -6.755512856e+00 2.94 -6.693024595e+00 -6.693024595e+00 2.96 -6.620849603e+00 -6.620849603e+00 2.98 -6.539739173e+00 -6.539739173e+00 3.00 -6.450502744e+00 -6.450502744e+00 3.02 -6.353981430e+00 -6.353981430e+00 3.04 -6.251022287e+00 -6.251022287e+00 3.06 -6.142519638e+00 -6.142519638e+00 3.08 -6.029141329e+00 -6.029141329e+00 3.10 -5.911415614e+00 -5.911415614e+00 3.12 -5.789770214e+00 -5.789770214e+00 3.14 -5.664522109e+00 -5.664522109e+00 3.16 -5.535878933e+00 -5.535878933e+00 3.18 -5.403948551e+00 -5.403948551e+00 3.20 -5.268744158e+00 -5.268744158e+00 3.22 -5.130221462e+00 -5.130221462e+00 3.24 -4.988316819e+00 -4.988316819e+00 3.26 -4.842978238e+00 -4.842978238e+00 3.28 -4.694195633e+00 -4.694195633e+00 3.30 -4.542028602e+00 -4.542028602e+00 3.32 -4.386630108e+00 -4.386630108e+00 3.34 -4.228264580e+00 -4.228264580e+00 3.36 -4.067319099e+00 -4.067319099e+00 3.38 -3.904306577e+00 -3.904306577e+00 3.40 -3.739860183e+00 -3.739860183e+00 3.42 -3.574718771e+00 -3.574718771e+00 3.44 -3.409703695e+00 -3.409703695e+00 3.46 -3.245688215e+00 -3.245688215e+00 3.48 -3.083561534e+00 -3.083561534e+00 3.50 -2.924190305e+00 -2.924190305e+00 3.52 -2.768380987e+00 -2.768380987e+00 3.54 -2.616846524e+00 -2.616846524e+00 3.56 -2.470180457e+00 -2.470180457e+00 3.58 -2.328840697e+00 -2.328840697e+00 3.60 -2.193143968e+00 -2.193143968e+00 3.62 -2.063270676e+00 -2.063270676e+00 3.64 -1.939278740e+00 -1.939278740e+00 3.66 -1.821124116e+00 -1.821124116e+00 3.68 -1.708685291e+00 -1.708685291e+00 3.70 -1.601788946e+00 -1.601788946e+00 3.72 -1.500234310e+00 -1.500234310e+00 3.74 -1.403814181e+00 -1.403814181e+00 3.76 -1.312331237e+00 -1.312331237e+00 3.78 -1.225608903e+00 -1.225608903e+00 3.80 -1.143496661e+00 -1.143496661e+00 3.82 -1.065870274e+00 -1.065870274e+00 3.84 -9.926278127e-01 -9.926278127e-01 3.86 -9.236827023e-01 -9.236827023e-01 3.88 -8.589551541e-01 -8.589551541e-01 3.90 -7.983633218e-01 -7.983633218e-01 3.92 -7.418153496e-01 -7.418153496e-01 3.94 -6.892031881e-01 -6.892031881e-01 3.96 -6.403986840e-01 -6.403986840e-01 3.98 -5.952521016e-01 -5.952521016e-01 4.00 -5.535929011e-01 -5.535929011e-01 4.02 -5.152323775e-01 -5.152323775e-01 4.04 -4.799676334e-01 -4.799676334e-01 4.06 -4.475863260e-01 -4.475863260e-01 4.08 -4.178716762e-01 -4.178716762e-01 4.10 -3.906073147e-01 -3.906073147e-01 4.12 -3.655814558e-01 -3.655814558e-01 4.14 -3.425910913e-01 -3.425910913e-01 4.16 -3.214448114e-01 -3.214448114e-01 4.18 -3.019647704e-01 -3.019647704e-01 4.20 -2.839881598e-01 -2.839881598e-01 4.22 -2.673679554e-01 -2.673679554e-01 4.24 -2.519730134e-01 -2.519730134e-01 4.26 -2.376875944e-01 -2.376875944e-01 4.28 -2.244103993e-01 -2.244103993e-01 4.30 -2.120532129e-01 -2.120532129e-01 4.32 -2.005392631e-01 -2.005392631e-01 4.34 -1.898014133e-01 -1.898014133e-01 4.36 -1.797803333e-01 -1.797803333e-01 4.38 -1.704227637e-01 -1.704227637e-01 4.40 -1.616799927e-01 -1.616799927e-01 4.42 -1.535066136e-01 -1.535066136e-01 4.44 -1.458596044e-01 -1.458596044e-01 4.46 -1.386977343e-01 -1.386977343e-01 4.48 -1.319811797e-01 -1.319811797e-01 4.50 -1.256714024e-01 -1.256714024e-01 4.52 -1.197316778e-01 -1.197316778e-01 4.54 -1.141268224e-01 -1.141268224e-01 4.56 -1.088233612e-01 -1.088233612e-01 4.58 -1.037897160e-01 -1.037897160e-01 4.60 -9.899635308e-02 -9.899635308e-02 4.62 -9.441588286e-02 -9.441588286e-02 4.64 -9.002311643e-02 -9.002311643e-02 4.66 -8.579509027e-02 -8.579509027e-02 4.68 -8.171107262e-02 -8.171107262e-02 4.70 -7.775256536e-02 -7.775256536e-02 4.72 -7.390331254e-02 -7.390331254e-02 4.74 -7.014932362e-02 -7.014932362e-02 4.76 -6.647891443e-02 -6.647891443e-02 4.78 -6.288276402e-02 -6.288276402e-02 4.80 -5.935397945e-02 -5.935397945e-02 4.82 -5.588815928e-02 -5.588815928e-02 4.84 -5.248342970e-02 -5.248342970e-02 4.86 -4.914044440e-02 -4.914044440e-02 4.88 -4.586231691e-02 -4.586231691e-02 4.90 -4.265446833e-02 -4.265446833e-02 4.92 -3.952437428e-02 -3.952437428e-02 4.94 -3.648120341e-02 -3.648120341e-02 4.96 -3.353535225e-02 -3.353535225e-02 4.98 -3.069789246e-02 -3.069789246e-02 5.00 -2.797996248e-02 -2.797996248e-02 5.02 -2.539214445e-02 -2.539214445e-02 5.04 -2.294387209e-02 -2.294387209e-02 5.06 -2.064291593e-02 -2.064291593e-02 5.08 -1.849498503e-02 -1.849498503e-02 5.10 -1.650328732e-02 -1.650328732e-02 5.12 -1.466867256e-02 -1.466867256e-02 5.14 -1.298993325e-02 -1.298993325e-02 5.16 -1.146360172e-02 -1.146360172e-02 5.18 -1.008423728e-02 -1.008423728e-02 5.20 -8.844781704e-03 -8.844781704e-03 5.22 -7.736944800e-03 -7.736944800e-03 5.24 -6.751589073e-03 -6.751589073e-03 5.26 -5.879089123e-03 -5.879089123e-03 5.28 -5.109648814e-03 -5.109648814e-03 5.30 -4.433566672e-03 -4.433566672e-03 5.32 -3.841446205e-03 -3.841446205e-03 5.34 -3.324352622e-03 -3.324352622e-03 5.36 -2.873920768e-03 -2.873920768e-03 5.38 -2.482420949e-03 -2.482420949e-03 5.40 -2.142790113e-03 -2.142790113e-03 5.42 -1.848635818e-03 -1.848635818e-03 5.44 -1.594219824e-03 -1.594219824e-03 5.46 -1.374427279e-03 -1.374427279e-03 5.48 -1.184726466e-03 -1.184726466e-03 5.50 -1.021123089e-03 -1.021123089e-03 5.52 -8.801121410e-04 -8.801121410e-04 5.54 -7.586296374e-04 -7.586296374e-04 5.56 -6.540057872e-04 -6.540057872e-04 5.58 -5.639206780e-04 -5.639206780e-04 5.60 -4.863631175e-04 -4.863631175e-04 5.62 -4.195929686e-04 -4.195929686e-04 5.64 -3.621070854e-04 -3.621070854e-04 5.66 -3.126088003e-04 -3.126088003e-04 5.68 -2.699808070e-04 -2.699808070e-04 5.70 -2.332612151e-04 -2.332612151e-04 5.72 -2.016225226e-04 -2.016225226e-04 5.74 -1.743532306e-04 -1.743532306e-04 5.76 -1.508418303e-04 -1.508418303e-04 5.78 -1.305628987e-04 -1.305628987e-04 5.80 -1.130650587e-04 -1.130650587e-04 5.82 -9.796057388e-05 -9.796057388e-05 5.84 -8.491637487e-05 -8.491637487e-05 5.86 -7.364632972e-05 -7.364632972e-05 5.88 -6.390459528e-05 -6.390459528e-05 5.90 -5.547990342e-05 -5.547990342e-05 5.92 -4.819065474e-05 -4.819065474e-05 5.94 -4.188070811e-05 -4.188070811e-05 5.96 -3.641576898e-05 -3.641576898e-05 5.98 -3.168029246e-05 -3.168029246e-05 6.00 -2.757482828e-05 -2.757482828e-05