# 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 = NiTaW2 # 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 3.358351964e+02 3.358351964e+02 1.30 3.096454413e+02 3.096454413e+02 1.32 2.855094470e+02 2.855094470e+02 1.34 2.632474440e+02 2.632474440e+02 1.36 2.426954244e+02 2.426954244e+02 1.38 2.237051962e+02 2.237051962e+02 1.40 2.061444145e+02 2.061444145e+02 1.42 1.898958283e+02 1.898958283e+02 1.44 1.748553218e+02 1.748553218e+02 1.46 1.609290880e+02 1.609290880e+02 1.48 1.480309489e+02 1.480309489e+02 1.50 1.360808438e+02 1.360808438e+02 1.52 1.250048229e+02 1.250048229e+02 1.54 1.147359137e+02 1.147359137e+02 1.56 1.052147102e+02 1.052147102e+02 1.58 9.638895465e+01 9.638895465e+01 1.60 8.821224197e+01 8.821224197e+01 1.62 8.064243741e+01 8.064243741e+01 1.64 7.364028412e+01 7.364028412e+01 1.66 6.716839867e+01 6.716839867e+01 1.68 6.119068860e+01 6.119068860e+01 1.70 5.567214580e+01 5.567214580e+01 1.72 5.057890229e+01 5.057890229e+01 1.74 4.587841593e+01 4.587841593e+01 1.76 4.153969801e+01 4.153969801e+01 1.78 3.753355763e+01 3.753355763e+01 1.80 3.383286496e+01 3.383286496e+01 1.82 3.041280936e+01 3.041280936e+01 1.84 2.725107492e+01 2.725107492e+01 1.86 2.432784089e+01 2.432784089e+01 1.88 2.162556752e+01 2.162556752e+01 1.90 1.912862881e+01 1.912862881e+01 1.92 1.682481752e+01 1.682481752e+01 1.94 1.470501155e+01 1.470501155e+01 1.96 1.275638475e+01 1.275638475e+01 1.98 1.096632523e+01 1.096632523e+01 2.00 9.322763069e+00 9.322763069e+00 2.02 7.814183088e+00 7.814183088e+00 2.04 6.429679774e+00 6.429679774e+00 2.06 5.159004472e+00 5.159004472e+00 2.08 3.992583964e+00 3.992583964e+00 2.10 2.921518740e+00 2.921518740e+00 2.12 1.937584976e+00 1.937584976e+00 2.14 1.033257824e+00 1.033257824e+00 2.16 2.017514773e-01 2.017514773e-01 2.18 -5.629490341e-01 -5.629490341e-01 2.20 -1.266093852e+00 -1.266093852e+00 2.22 -1.912228705e+00 -1.912228705e+00 2.24 -2.505305719e+00 -2.505305719e+00 2.26 -3.048824317e+00 -3.048824317e+00 2.28 -3.545975731e+00 -3.545975731e+00 2.30 -3.999767118e+00 -3.999767118e+00 2.32 -4.413107545e+00 -4.413107545e+00 2.34 -4.788846057e+00 -4.788846057e+00 2.36 -5.129762229e+00 -5.129762229e+00 2.38 -5.438522013e+00 -5.438522013e+00 2.40 -5.717621254e+00 -5.717621254e+00 2.42 -5.969339813e+00 -5.969339813e+00 2.44 -6.195719946e+00 -6.195719946e+00 2.46 -6.398569745e+00 -6.398569745e+00 2.48 -6.579483692e+00 -6.579483692e+00 2.50 -6.739870348e+00 -6.739870348e+00 2.52 -6.880979883e+00 -6.880979883e+00 2.54 -7.003927842e+00 -7.003927842e+00 2.56 -7.109589995e+00 -7.109589995e+00 2.58 -7.198878417e+00 -7.198878417e+00 2.60 -7.272764080e+00 -7.272764080e+00 2.62 -7.332133639e+00 -7.332133639e+00 2.64 -7.377769819e+00 -7.377769819e+00 2.66 -7.410400985e+00 -7.410400985e+00 2.68 -7.430867024e+00 -7.430867024e+00 2.70 -7.439989600e+00 -7.439989600e+00 2.72 -7.438495424e+00 -7.438495424e+00 2.74 -7.426647415e+00 -7.426647415e+00 2.76 -7.404612376e+00 -7.404612376e+00 2.78 -7.372631774e+00 -7.372631774e+00 2.80 -7.330998145e+00 -7.330998145e+00 2.82 -7.279941934e+00 -7.279941934e+00 2.84 -7.219620205e+00 -7.219620205e+00 2.86 -7.150254358e+00 -7.150254358e+00 2.88 -7.072139863e+00 -7.072139863e+00 2.90 -6.985649137e+00 -6.985649137e+00 2.92 -6.891237866e+00 -6.891237866e+00 2.94 -6.789449891e+00 -6.789449891e+00 2.96 -6.680914259e+00 -6.680914259e+00 2.98 -6.566334368e+00 -6.566334368e+00 3.00 -6.446468247e+00 -6.446468247e+00 3.02 -6.322100841e+00 -6.322100841e+00 3.04 -6.193967024e+00 -6.193967024e+00 3.06 -6.062622328e+00 -6.062622328e+00 3.08 -5.928537669e+00 -5.928537669e+00 3.10 -5.792102269e+00 -5.792102269e+00 3.12 -5.653604574e+00 -5.653604574e+00 3.14 -5.513225195e+00 -5.513225195e+00 3.16 -5.371041386e+00 -5.371041386e+00 3.18 -5.227041278e+00 -5.227041278e+00 3.20 -5.081145466e+00 -5.081145466e+00 3.22 -4.933233397e+00 -4.933233397e+00 3.24 -4.783172232e+00 -4.783172232e+00 3.26 -4.630846208e+00 -4.630846208e+00 3.28 -4.476184837e+00 -4.476184837e+00 3.30 -4.319188545e+00 -4.319188545e+00 3.32 -4.159950434e+00 -4.159950434e+00 3.34 -3.998672948e+00 -3.998672948e+00 3.36 -3.835678267e+00 -3.835678267e+00 3.38 -3.671411386e+00 -3.671411386e+00 3.40 -3.506435077e+00 -3.506435077e+00 3.42 -3.341416331e+00 -3.341416331e+00 3.44 -3.177104483e+00 -3.177104483e+00 3.46 -3.014302010e+00 -3.014302010e+00 3.48 -2.853829855e+00 -2.853829855e+00 3.50 -2.696489982e+00 -2.696489982e+00 3.52 -2.543028439e+00 -2.543028439e+00 3.54 -2.394102417e+00 -2.394102417e+00 3.56 -2.250254401e+00 -2.250254401e+00 3.58 -2.111895739e+00 -2.111895739e+00 3.60 -1.979300745e+00 -1.979300745e+00 3.62 -1.852611190e+00 -1.852611190e+00 3.64 -1.731849865e+00 -1.731849865e+00 3.66 -1.616941020e+00 -1.616941020e+00 3.68 -1.507735019e+00 -1.507735019e+00 3.70 -1.404034456e+00 -1.404034456e+00 3.72 -1.305619191e+00 -1.305619191e+00 3.74 -1.212268231e+00 -1.212268231e+00 3.76 -1.123776950e+00 -1.123776950e+00 3.78 -1.039968744e+00 -1.039968744e+00 3.80 -9.607008314e-01 -9.607008314e-01 3.82 -8.858644567e-01 -8.858644567e-01 3.84 -8.153802297e-01 -8.153802297e-01 3.86 -7.491897365e-01 -7.491897365e-01 3.88 -6.872448195e-01 -6.872448195e-01 3.90 -6.294960554e-01 -6.294960554e-01 3.92 -5.758819146e-01 -5.758819146e-01 3.94 -5.263198651e-01 -5.263198651e-01 3.96 -4.807003056e-01 -4.807003056e-01 3.98 -4.388837446e-01 -4.388837446e-01 4.00 -4.007011579e-01 -4.007011579e-01 4.02 -3.659570566e-01 -3.659570566e-01 4.04 -3.344345319e-01 -3.344345319e-01 4.06 -3.059014303e-01 -3.059014303e-01 4.08 -2.801169044e-01 -2.801169044e-01 4.10 -2.568376829e-01 -2.568376829e-01 4.12 -2.358234069e-01 -2.358234069e-01 4.14 -2.168416413e-01 -2.168416413e-01 4.16 -1.996712314e-01 -1.996712314e-01 4.18 -1.841044339e-01 -1.841044339e-01 4.20 -1.699493111e-01 -1.699493111e-01 4.22 -1.570302148e-01 -1.570302148e-01 4.24 -1.451881457e-01 -1.451881457e-01 4.26 -1.342808564e-01 -1.342808564e-01 4.28 -1.241826854e-01 -1.241826854e-01 4.30 -1.147842343e-01 -1.147842343e-01 4.32 -1.059919533e-01 -1.059919533e-01 4.34 -9.772765810e-02 -9.772765810e-02 4.36 -8.992796029e-02 -8.992796029e-02 4.38 -8.254356037e-02 -8.254356037e-02 4.40 -7.553833414e-02 -7.553833414e-02 4.42 -6.888814014e-02 -6.888814014e-02 4.44 -6.257929546e-02 -6.257929546e-02 4.46 -5.660670829e-02 -5.660670829e-02 4.48 -5.097171244e-02 -5.097171244e-02 4.50 -4.567971158e-02 -4.567971158e-02 4.52 -4.073779409e-02 -4.073779409e-02 4.54 -3.615250792e-02 -3.615250792e-02 4.56 -3.192798074e-02 -3.192798074e-02 4.58 -2.806452710e-02 -2.806452710e-02 4.60 -2.455782658e-02 -2.455782658e-02 4.62 -2.139867220e-02 -2.139867220e-02 4.64 -1.857322201e-02 -1.857322201e-02 4.66 -1.606330487e-02 -1.606330487e-02 4.68 -1.384793521e-02 -1.384793521e-02 4.70 -1.190436581e-02 -1.190436581e-02 4.72 -1.020855251e-02 -1.020855251e-02 4.74 -8.736103114e-03 -8.736103114e-03 4.76 -7.463061439e-03 -7.463061439e-03 4.78 -6.366507985e-03 -6.366507985e-03 4.80 -5.424981564e-03 -5.424981564e-03 4.82 -4.618741956e-03 -4.618741956e-03 4.84 -3.929899370e-03 -3.929899370e-03 4.86 -3.342441722e-03 -3.342441722e-03 4.88 -2.842186057e-03 -2.842186057e-03 4.90 -2.416678816e-03 -2.416678816e-03 4.92 -2.055064562e-03 -2.055064562e-03 4.94 -1.747938434e-03 -1.747938434e-03 4.96 -1.487193533e-03 -1.487193533e-03 4.98 -1.265871083e-03 -1.265871083e-03 5.00 -1.078018419e-03 -1.078018419e-03 5.02 -9.185578600e-04 -9.185578600e-04 5.04 -7.831679358e-04 -7.831679358e-04 5.06 -6.681774205e-04 -6.681774205e-04 5.08 -5.704719001e-04 -5.704719001e-04 5.10 -4.874121604e-04 -4.874121604e-04 5.12 -4.167634367e-04 -4.167634367e-04 5.14 -3.566344495e-04 -3.566344495e-04 5.16 -3.054251327e-04 -3.054251327e-04 5.18 -2.617819893e-04 -2.617819893e-04 5.20 -2.245600845e-04 -2.245600845e-04 5.22 -1.927907715e-04 -1.927907715e-04 5.24 -1.656543410e-04 -1.656543410e-04 5.26 -1.424568785e-04 -1.424568785e-04 5.28 -1.226107078e-04 -1.226107078e-04 5.30 -1.056178777e-04 -1.056178777e-04 5.32 -9.105622844e-05 -9.105622844e-05 5.34 -7.856763925e-05 -7.856763925e-05 5.36 -6.784811763e-05 -6.784811763e-05 5.38 -5.863944258e-05 -5.863944258e-05 5.40 -5.072211735e-05 -5.072211735e-05 5.42 -4.390942543e-05 -4.390942543e-05 5.44 -3.804241573e-05 -3.804241573e-05 5.46 -3.298566994e-05 -3.298566994e-05 5.48 -2.862372862e-05 -2.862372862e-05 5.50 -2.485807183e-05 -2.485807183e-05 5.52 -2.160456702e-05 -2.160456702e-05 5.54 -1.879131042e-05 -1.879131042e-05 5.56 -1.635680015e-05 -1.635680015e-05 5.58 -1.424838908e-05 -1.424838908e-05 5.60 -1.242097360e-05 -1.242097360e-05 5.62 -1.083588166e-05 -1.083588166e-05 5.64 -9.459929007e-06 -9.459929007e-06 5.66 -8.264617655e-06 -8.264617655e-06 5.68 -7.225454539e-06 -7.225454539e-06 5.70 -6.321372013e-06 -6.321372013e-06 5.72 -5.534234490e-06 -5.534234490e-06 5.74 -4.848418140e-06 -4.848418140e-06 5.76 -4.250452538e-06 -4.250452538e-06 5.78 -3.728714886e-06 -3.728714886e-06 5.80 -3.273168901e-06 -3.273168901e-06 5.82 -2.875141663e-06 -2.875141663e-06 5.84 -2.527132766e-06 -2.527132766e-06 5.86 -2.222650950e-06 -2.222650950e-06 5.88 -1.956074169e-06 -1.956074169e-06 5.90 -1.722529628e-06 -1.722529628e-06 5.92 -1.517790858e-06 -1.517790858e-06 5.94 -1.338189355e-06 -1.338189355e-06 5.96 -1.180538650e-06 -1.180538650e-06 5.98 -1.042069017e-06 -1.042069017e-06 6.00 -9.203712949e-07 -9.203712949e-07