# 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 = CoPtTa2 # 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 3.588216138e+02 3.588216138e+02 1.30 3.338231303e+02 3.338231303e+02 1.32 3.106209022e+02 3.106209022e+02 1.34 2.890840114e+02 2.890840114e+02 1.36 2.690829062e+02 2.690829062e+02 1.38 2.504887106e+02 2.504887106e+02 1.40 2.331765693e+02 2.331765693e+02 1.42 2.170311591e+02 2.170311591e+02 1.44 2.019512507e+02 2.019512507e+02 1.46 1.878513357e+02 1.878513357e+02 1.48 1.746604375e+02 1.746604375e+02 1.50 1.623193230e+02 1.623193230e+02 1.52 1.507768968e+02 1.507768968e+02 1.54 1.399863006e+02 1.399863006e+02 1.56 1.299017405e+02 1.299017405e+02 1.58 1.204769227e+02 1.204769227e+02 1.60 1.116651271e+02 1.116651271e+02 1.62 1.034203318e+02 1.034203318e+02 1.64 9.569870434e+01 9.569870434e+01 1.66 8.845995780e+01 8.845995780e+01 1.68 8.166829278e+01 8.166829278e+01 1.70 7.529273067e+01 7.529273067e+01 1.72 6.930663668e+01 6.930663668e+01 1.74 6.368639948e+01 6.368639948e+01 1.76 5.840971066e+01 5.840971066e+01 1.78 5.345426136e+01 5.345426136e+01 1.80 4.879740317e+01 4.879740317e+01 1.82 4.441662635e+01 4.441662635e+01 1.84 4.029032607e+01 4.029032607e+01 1.86 3.640126187e+01 3.640126187e+01 1.88 3.273821025e+01 3.273821025e+01 1.90 2.928540930e+01 2.928540930e+01 1.92 2.603454071e+01 2.603454071e+01 1.94 2.302386038e+01 2.302386038e+01 1.96 2.025260778e+01 2.025260778e+01 1.98 1.770759267e+01 1.770759267e+01 2.00 1.537602441e+01 1.537602441e+01 2.02 1.324494211e+01 1.324494211e+01 2.04 1.130094800e+01 1.130094800e+01 2.06 9.530249658e+00 9.530249658e+00 2.08 7.918944123e+00 7.918944123e+00 2.10 6.453414118e+00 6.453414118e+00 2.12 5.120700516e+00 5.120700516e+00 2.14 3.908768353e+00 3.908768353e+00 2.16 2.806651342e+00 2.806651342e+00 2.18 1.804497946e+00 1.804497946e+00 2.20 8.935453921e-01 8.935453921e-01 2.22 6.603875787e-02 6.603875787e-02 2.24 -6.848912689e-01 -6.848912689e-01 2.26 -1.365375108e+00 -1.365375108e+00 2.28 -1.980955750e+00 -1.980955750e+00 2.30 -2.536726016e+00 -2.536726016e+00 2.32 -3.037436589e+00 -3.037436589e+00 2.34 -3.487565495e+00 -3.487565495e+00 2.36 -3.891347310e+00 -3.891347310e+00 2.38 -4.252768585e+00 -4.252768585e+00 2.40 -4.575543173e+00 -4.575543173e+00 2.42 -4.863084501e+00 -4.863084501e+00 2.44 -5.118490310e+00 -5.118490310e+00 2.46 -5.344549678e+00 -5.344549678e+00 2.48 -5.543773955e+00 -5.543773955e+00 2.50 -5.718444553e+00 -5.718444553e+00 2.52 -5.870663852e+00 -5.870663852e+00 2.54 -6.002387398e+00 -6.002387398e+00 2.56 -6.115253906e+00 -6.115253906e+00 2.58 -6.211066723e+00 -6.211066723e+00 2.60 -6.291592680e+00 -6.291592680e+00 2.62 -6.358369431e+00 -6.358369431e+00 2.64 -6.412703633e+00 -6.412703633e+00 2.66 -6.455686000e+00 -6.455686000e+00 2.68 -6.488220868e+00 -6.488220868e+00 2.70 -6.511060572e+00 -6.511060572e+00 2.72 -6.525183057e+00 -6.525183057e+00 2.74 -6.531478753e+00 -6.531478753e+00 2.76 -6.529865845e+00 -6.529865845e+00 2.78 -6.520316196e+00 -6.520316196e+00 2.80 -6.502859019e+00 -6.502859019e+00 2.82 -6.477569886e+00 -6.477569886e+00 2.84 -6.444564457e+00 -6.444564457e+00 2.86 -6.403996797e+00 -6.403996797e+00 2.88 -6.356066685e+00 -6.356066685e+00 2.90 -6.301046487e+00 -6.301046487e+00 2.92 -6.239205674e+00 -6.239205674e+00 2.94 -6.170860532e+00 -6.170860532e+00 2.96 -6.096384018e+00 -6.096384018e+00 2.98 -6.016195562e+00 -6.016195562e+00 3.00 -5.930743675e+00 -5.930743675e+00 3.02 -5.840483312e+00 -5.840483312e+00 3.04 -5.745851859e+00 -5.745851859e+00 3.06 -5.647248355e+00 -5.647248355e+00 3.08 -5.545007614e+00 -5.545007614e+00 3.10 -5.439375417e+00 -5.439375417e+00 3.12 -5.330551437e+00 -5.330551437e+00 3.14 -5.218709372e+00 -5.218709372e+00 3.16 -5.104014693e+00 -5.104014693e+00 3.18 -4.986644561e+00 -4.986644561e+00 3.20 -4.866807063e+00 -4.866807063e+00 3.22 -4.744757434e+00 -4.744757434e+00 3.24 -4.620809301e+00 -4.620809301e+00 3.26 -4.495339403e+00 -4.495339403e+00 3.28 -4.368784777e+00 -4.368784777e+00 3.30 -4.241632114e+00 -4.241632114e+00 3.32 -4.114399897e+00 -4.114399897e+00 3.34 -3.987615001e+00 -3.987615001e+00 3.36 -3.861786273e+00 -3.861786273e+00 3.38 -3.737378195e+00 -3.737378195e+00 3.40 -3.614787677e+00 -3.614787677e+00 3.42 -3.494326527e+00 -3.494326527e+00 3.44 -3.376211129e+00 -3.376211129e+00 3.46 -3.260559781e+00 -3.260559781e+00 3.48 -3.147397087e+00 -3.147397087e+00 3.50 -3.036664056e+00 -3.036664056e+00 3.52 -2.928232238e+00 -2.928232238e+00 3.54 -2.821920197e+00 -2.821920197e+00 3.56 -2.717527064e+00 -2.717527064e+00 3.58 -2.614935839e+00 -2.614935839e+00 3.60 -2.514063715e+00 -2.514063715e+00 3.62 -2.414836338e+00 -2.414836338e+00 3.64 -2.317201771e+00 -2.317201771e+00 3.66 -2.221141765e+00 -2.221141765e+00 3.68 -2.126679939e+00 -2.126679939e+00 3.70 -2.033886531e+00 -2.033886531e+00 3.72 -1.942879365e+00 -1.942879365e+00 3.74 -1.853820842e+00 -1.853820842e+00 3.76 -1.766910933e+00 -1.766910933e+00 3.78 -1.682376538e+00 -1.682376538e+00 3.80 -1.600457959e+00 -1.600457959e+00 3.82 -1.521393619e+00 -1.521393619e+00 3.84 -1.445404450e+00 -1.445404450e+00 3.86 -1.372679471e+00 -1.372679471e+00 3.88 -1.303363945e+00 -1.303363945e+00 3.90 -1.237551152e+00 -1.237551152e+00 3.92 -1.175278348e+00 -1.175278348e+00 3.94 -1.116526941e+00 -1.116526941e+00 3.96 -1.061226408e+00 -1.061226408e+00 3.98 -1.009261195e+00 -1.009261195e+00 4.00 -9.604796031e-01 -9.604796031e-01 4.02 -9.147036773e-01 -9.147036773e-01 4.04 -8.717392203e-01 -8.717392203e-01 4.06 -8.313852125e-01 -8.313852125e-01 4.08 -7.934421209e-01 -7.934421209e-01 4.10 -7.577187464e-01 -7.577187464e-01 4.12 -7.240374325e-01 -7.240374325e-01 4.14 -6.922374829e-01 -6.922374829e-01 4.16 -6.621768894e-01 -6.621768894e-01 4.18 -6.337324024e-01 -6.337324024e-01 4.20 -6.067981753e-01 -6.067981753e-01 4.22 -5.812832784e-01 -5.812832784e-01 4.24 -5.571084655e-01 -5.571084655e-01 4.26 -5.342026268e-01 -5.342026268e-01 4.28 -5.124993535e-01 -5.124993535e-01 4.30 -4.919339786e-01 -4.919339786e-01 4.32 -4.724413419e-01 -4.724413419e-01 4.34 -4.539543915e-01 -4.539543915e-01 4.36 -4.364035998e-01 -4.364035998e-01 4.38 -4.197170677e-01 -4.197170677e-01 4.40 -4.038211281e-01 -4.038211281e-01 4.42 -3.886412439e-01 -3.886412439e-01 4.44 -3.741030436e-01 -3.741030436e-01 4.46 -3.601332990e-01 -3.601332990e-01 4.48 -3.466608072e-01 -3.466608072e-01 4.50 -3.336175010e-01 -3.336175010e-01 4.52 -3.209387028e-01 -3.209387028e-01 4.54 -3.085625242e-01 -3.085625242e-01 4.56 -2.964316854e-01 -2.964316854e-01 4.58 -2.844937480e-01 -2.844937480e-01 4.60 -2.727014659e-01 -2.727014659e-01 4.62 -2.610135998e-01 -2.610135998e-01 4.64 -2.493951595e-01 -2.493951595e-01 4.66 -2.378181255e-01 -2.378181255e-01 4.68 -2.262622593e-01 -2.262622593e-01 4.70 -2.147159214e-01 -2.147159214e-01 4.72 -2.031768216e-01 -2.031768216e-01 4.74 -1.916526044e-01 -1.916526044e-01 4.76 -1.801611582e-01 -1.801611582e-01 4.78 -1.687305371e-01 -1.687305371e-01 4.80 -1.573983994e-01 -1.573983994e-01 4.82 -1.462109073e-01 -1.462109073e-01 4.84 -1.352210702e-01 -1.352210702e-01 4.86 -1.244865962e-01 -1.244865962e-01 4.88 -1.140673595e-01 -1.140673595e-01 4.90 -1.040226559e-01 -1.040226559e-01 4.92 -9.440844869e-02 -9.440844869e-02 4.94 -8.527481474e-02 -8.527481474e-02 4.96 -7.666378142e-02 -7.666378142e-02 4.98 -6.860770298e-02 -6.860770298e-02 5.00 -6.112826706e-02 -6.112826706e-02 5.02 -5.423615835e-02 -5.423615835e-02 5.04 -4.793134858e-02 -4.793134858e-02 5.06 -4.220391416e-02 -4.220391416e-02 5.08 -3.703527918e-02 -3.703527918e-02 5.10 -3.239974299e-02 -3.239974299e-02 5.12 -2.826614202e-02 -2.826614202e-02 5.14 -2.459950234e-02 -2.459950234e-02 5.16 -2.136258146e-02 -2.136258146e-02 5.18 -1.851724853e-02 -1.851724853e-02 5.20 -1.602541936e-02 -1.602541936e-02 5.22 -1.385017201e-02 -1.385017201e-02 5.24 -1.195703700e-02 -1.195703700e-02 5.26 -1.031369582e-02 -1.031369582e-02 5.28 -8.890304313e-03 -8.890304313e-03 5.30 -7.659665161e-03 -7.659665161e-03 5.32 -6.597263156e-03 -6.597263156e-03 5.34 -5.681201230e-03 -5.681201230e-03 5.36 -4.892069084e-03 -4.892069084e-03 5.38 -4.212769761e-03 -4.212769761e-03 5.40 -3.628323597e-03 -3.628323597e-03 5.42 -3.125663899e-03 -3.125663899e-03 5.44 -2.693434425e-03 -2.693434425e-03 5.46 -2.321795403e-03 -2.321795403e-03 5.48 -2.002242291e-03 -2.002242291e-03 5.50 -1.727439539e-03 -1.727439539e-03 5.52 -1.491070296e-03 -1.491070296e-03 5.54 -1.287702046e-03 -1.287702046e-03 5.56 -1.112667576e-03 -1.112667576e-03 5.58 -9.619602627e-04 -9.619602627e-04 5.60 -8.321425226e-04 -8.321425226e-04 5.62 -7.202661242e-04 -7.202661242e-04 5.64 -6.238031131e-04 -6.238031131e-04 5.66 -5.405861141e-04 -5.405861141e-04 5.68 -4.687568742e-04 -4.687568742e-04 5.70 -4.067219984e-04 -4.067219984e-04 5.72 -3.531149360e-04 -3.531149360e-04 5.74 -3.067633777e-04 -3.067633777e-04 5.76 -2.666613212e-04 -2.666613212e-04 5.78 -2.319451562e-04 -2.319451562e-04 5.80 -2.018732000e-04 -2.018732000e-04 5.82 -1.758081950e-04 -1.758081950e-04 5.84 -1.532023407e-04 -1.532023407e-04 5.86 -1.335844959e-04 -1.335844959e-04 5.88 -1.165492352e-04 -1.165492352e-04 5.90 -1.017474918e-04 -1.017474918e-04 5.92 -8.887855270e-05 -8.887855270e-05 5.94 -7.768321225e-05 -7.768321225e-05 5.96 -6.793791162e-05 -6.793791162e-05 5.98 -5.944972251e-05 -5.944972251e-05 6.00 -5.205205079e-05 -5.205205079e-05