# 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 = Ag2CoFe # 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 2.159500956e+02 2.159500956e+02 1.30 1.986395288e+02 1.986395288e+02 1.32 1.827050938e+02 1.827050938e+02 1.34 1.680303279e+02 1.680303279e+02 1.36 1.545098226e+02 1.545098226e+02 1.38 1.420485320e+02 1.420485320e+02 1.40 1.305605326e+02 1.305605326e+02 1.42 1.199676224e+02 1.199676224e+02 1.44 1.101980635e+02 1.101980635e+02 1.46 1.011858010e+02 1.011858010e+02 1.48 9.287029000e+01 9.287029000e+01 1.50 8.519651500e+01 8.519651500e+01 1.52 7.811462497e+01 7.811462497e+01 1.54 7.157913342e+01 7.157913342e+01 1.56 6.554810904e+01 6.554810904e+01 1.58 5.998266514e+01 5.998266514e+01 1.60 5.484669462e+01 5.484669462e+01 1.62 5.010697914e+01 5.010697914e+01 1.64 4.573461967e+01 4.573461967e+01 1.66 4.170312543e+01 4.170312543e+01 1.68 3.798556356e+01 3.798556356e+01 1.70 3.455713855e+01 3.455713855e+01 1.72 3.139520592e+01 3.139520592e+01 1.74 2.847911364e+01 2.847911364e+01 1.76 2.578995645e+01 2.578995645e+01 1.78 2.331037008e+01 2.331037008e+01 1.80 2.102442786e+01 2.102442786e+01 1.82 1.891758777e+01 1.891758777e+01 1.84 1.697660489e+01 1.697660489e+01 1.86 1.518937761e+01 1.518937761e+01 1.88 1.354475063e+01 1.354475063e+01 1.90 1.203231424e+01 1.203231424e+01 1.92 1.064223555e+01 1.064223555e+01 1.94 9.365150954e+00 9.365150954e+00 1.96 8.192135064e+00 8.192135064e+00 1.98 7.114736055e+00 7.114736055e+00 2.00 6.125049293e+00 6.125049293e+00 2.02 5.215796086e+00 5.215796086e+00 2.04 4.380376201e+00 4.380376201e+00 2.06 3.612871444e+00 3.612871444e+00 2.08 2.907996833e+00 2.907996833e+00 2.10 2.261015946e+00 2.261015946e+00 2.12 1.667645285e+00 1.667645285e+00 2.14 1.123968735e+00 1.123968735e+00 2.16 6.263741950e-01 6.263741950e-01 2.18 1.715148508e-01 1.715148508e-01 2.20 -2.437104892e-01 -2.437104892e-01 2.22 -6.221679878e-01 -6.221679878e-01 2.24 -9.664993041e-01 -9.664993041e-01 2.26 -1.279136326e+00 -1.279136326e+00 2.28 -1.562319727e+00 -1.562319727e+00 2.30 -1.818118811e+00 -1.818118811e+00 2.32 -2.048450361e+00 -2.048450361e+00 2.34 -2.255095247e+00 -2.255095247e+00 2.36 -2.439712692e+00 -2.439712692e+00 2.38 -2.603859760e+00 -2.603859760e+00 2.40 -2.749034390e+00 -2.749034390e+00 2.42 -2.876559925e+00 -2.876559925e+00 2.44 -2.987677077e+00 -2.987677077e+00 2.46 -3.083574389e+00 -3.083574389e+00 2.48 -3.165394976e+00 -3.165394976e+00 2.50 -3.234241964e+00 -3.234241964e+00 2.52 -3.291182680e+00 -3.291182680e+00 2.54 -3.337234508e+00 -3.337234508e+00 2.56 -3.373309917e+00 -3.373309917e+00 2.58 -3.400290448e+00 -3.400290448e+00 2.60 -3.419045783e+00 -3.419045783e+00 2.62 -3.430415818e+00 -3.430415818e+00 2.64 -3.435186012e+00 -3.435186012e+00 2.66 -3.434062626e+00 -3.434062626e+00 2.68 -3.427682029e+00 -3.427682029e+00 2.70 -3.416719350e+00 -3.416719350e+00 2.72 -3.401272113e+00 -3.401272113e+00 2.74 -3.381346216e+00 -3.381346216e+00 2.76 -3.356991600e+00 -3.356991600e+00 2.78 -3.328301921e+00 -3.328301921e+00 2.80 -3.295413655e+00 -3.295413655e+00 2.82 -3.258503050e+00 -3.258503050e+00 2.84 -3.217785562e+00 -3.217785562e+00 2.86 -3.173520442e+00 -3.173520442e+00 2.88 -3.125983942e+00 -3.125983942e+00 2.90 -3.075456897e+00 -3.075456897e+00 2.92 -3.022218861e+00 -3.022218861e+00 2.94 -2.966544805e+00 -2.966544805e+00 2.96 -2.908704793e+00 -2.908704793e+00 2.98 -2.848966140e+00 -2.848966140e+00 3.00 -2.787596676e+00 -2.787596676e+00 3.02 -2.724867152e+00 -2.724867152e+00 3.04 -2.661050890e+00 -2.661050890e+00 3.06 -2.596419668e+00 -2.596419668e+00 3.08 -2.531236285e+00 -2.531236285e+00 3.10 -2.465745774e+00 -2.465745774e+00 3.12 -2.400167902e+00 -2.400167902e+00 3.14 -2.334693282e+00 -2.334693282e+00 3.16 -2.269484102e+00 -2.269484102e+00 3.18 -2.204679041e+00 -2.204679041e+00 3.20 -2.140400761e+00 -2.140400761e+00 3.22 -2.076763949e+00 -2.076763949e+00 3.24 -2.013882059e+00 -2.013882059e+00 3.26 -1.951871530e+00 -1.951871530e+00 3.28 -1.890852944e+00 -1.890852944e+00 3.30 -1.830949304e+00 -1.830949304e+00 3.32 -1.772282102e+00 -1.772282102e+00 3.34 -1.714966122e+00 -1.714966122e+00 3.36 -1.659104014e+00 -1.659104014e+00 3.38 -1.604781554e+00 -1.604781554e+00 3.40 -1.552064227e+00 -1.552064227e+00 3.42 -1.500995486e+00 -1.500995486e+00 3.44 -1.451596689e+00 -1.451596689e+00 3.46 -1.403868497e+00 -1.403868497e+00 3.48 -1.357793331e+00 -1.357793331e+00 3.50 -1.313338476e+00 -1.313338476e+00 3.52 -1.270459390e+00 -1.270459390e+00 3.54 -1.229102932e+00 -1.229102932e+00 3.56 -1.189210242e+00 -1.189210242e+00 3.58 -1.150719194e+00 -1.150719194e+00 3.60 -1.113566359e+00 -1.113566359e+00 3.62 -1.077688504e+00 -1.077688504e+00 3.64 -1.043023708e+00 -1.043023708e+00 3.66 -1.009512139e+00 -1.009512139e+00 3.68 -9.770965940e-01 -9.770965940e-01 3.70 -9.457228417e-01 -9.457228417e-01 3.72 -9.153398336e-01 -9.153398336e-01 3.74 -8.858998026e-01 -8.858998026e-01 3.76 -8.573582728e-01 -8.573582728e-01 3.78 -8.296739909e-01 -8.296739909e-01 3.80 -8.028087841e-01 -8.028087841e-01 3.82 -7.767273522e-01 -7.767273522e-01 3.84 -7.513970045e-01 -7.513970045e-01 3.86 -7.267873522e-01 -7.267873522e-01 3.88 -7.028699741e-01 -7.028699741e-01 3.90 -6.796180705e-01 -6.796180705e-01 3.92 -6.570061245e-01 -6.570061245e-01 3.94 -6.350095904e-01 -6.350095904e-01 3.96 -6.136046167e-01 -6.136046167e-01 3.98 -5.927678343e-01 -5.927678343e-01 4.00 -5.724762149e-01 -5.724762149e-01 4.02 -5.527070193e-01 -5.527070193e-01 4.04 -5.334378486e-01 -5.334378486e-01 4.06 -5.146468128e-01 -5.146468128e-01 4.08 -4.963128255e-01 -4.963128255e-01 4.10 -4.784160268e-01 -4.784160268e-01 4.12 -4.609383431e-01 -4.609383431e-01 4.14 -4.438641308e-01 -4.438641308e-01 4.16 -4.271809115e-01 -4.271809115e-01 4.18 -4.108801016e-01 -4.108801016e-01 4.20 -3.949576639e-01 -3.949576639e-01 4.22 -3.794145708e-01 -3.794145708e-01 4.24 -3.642569624e-01 -3.642569624e-01 4.26 -3.494958934e-01 -3.494958934e-01 4.28 -3.351466006e-01 -3.351466006e-01 4.30 -3.212272850e-01 -3.212272850e-01 4.32 -3.077574840e-01 -3.077574840e-01 4.34 -2.947561851e-01 -2.947561851e-01 4.36 -2.822398935e-01 -2.822398935e-01 4.38 -2.702208799e-01 -2.702208799e-01 4.40 -2.587058099e-01 -2.587058099e-01 4.42 -2.476948886e-01 -2.476948886e-01 4.44 -2.371815702e-01 -2.371815702e-01 4.46 -2.271527978e-01 -2.271527978e-01 4.48 -2.175896713e-01 -2.175896713e-01 4.50 -2.084684108e-01 -2.084684108e-01 4.52 -1.997614704e-01 -1.997614704e-01 4.54 -1.914386783e-01 -1.914386783e-01 4.56 -1.834683067e-01 -1.834683067e-01 4.58 -1.758180105e-01 -1.758180105e-01 4.60 -1.684556092e-01 -1.684556092e-01 4.62 -1.613497094e-01 -1.613497094e-01 4.64 -1.544701884e-01 -1.544701884e-01 4.66 -1.477885672e-01 -1.477885672e-01 4.68 -1.412783099e-01 -1.412783099e-01 4.70 -1.349150809e-01 -1.349150809e-01 4.72 -1.286769927e-01 -1.286769927e-01 4.74 -1.225448648e-01 -1.225448648e-01 4.76 -1.165025097e-01 -1.165025097e-01 4.78 -1.105370457e-01 -1.105370457e-01 4.80 -1.046392288e-01 -1.046392288e-01 4.82 -9.880378378e-02 -9.880378378e-02 4.84 -9.302968554e-02 -9.302968554e-02 4.86 -8.732036528e-02 -8.732036528e-02 4.88 -8.168377205e-02 -8.168377205e-02 4.90 -7.613224485e-02 -7.613224485e-02 4.92 -7.068215194e-02 -7.068215194e-02 4.94 -6.535327450e-02 -6.535327450e-02 4.96 -6.016779966e-02 -6.016779966e-02 4.98 -5.514931504e-02 -5.514931504e-02 5.00 -5.032201741e-02 -5.032201741e-02 5.02 -4.570904994e-02 -4.570904994e-02 5.04 -4.133127443e-02 -4.133127443e-02 5.06 -3.720621994e-02 -3.720621994e-02 5.08 -3.334727875e-02 -3.334727875e-02 5.10 -2.976320094e-02 -2.976320094e-02 5.12 -2.645790361e-02 -2.645790361e-02 5.14 -2.343058255e-02 -2.343058255e-02 5.16 -2.067607542e-02 -2.067607542e-02 5.18 -1.818541598e-02 -1.818541598e-02 5.20 -1.594632222e-02 -1.594632222e-02 5.22 -1.394400864e-02 -1.394400864e-02 5.24 -1.216262551e-02 -1.216262551e-02 5.26 -1.058522186e-02 -1.058522186e-02 5.28 -9.194350234e-03 -9.194350234e-03 5.30 -7.972602268e-03 -7.972602268e-03 5.32 -6.903032229e-03 -6.903032229e-03 5.34 -5.969472830e-03 -5.969472830e-03 5.36 -5.156753942e-03 -5.156753942e-03 5.38 -4.450838103e-03 -4.450838103e-03 5.40 -3.838887994e-03 -3.838887994e-03 5.42 -3.309280660e-03 -3.309280660e-03 5.44 -2.851582011e-03 -2.851582011e-03 5.46 -2.456493219e-03 -2.456493219e-03 5.48 -2.115778701e-03 -2.115778701e-03 5.50 -1.822183327e-03 -1.822183327e-03 5.52 -1.569344760e-03 -1.569344760e-03 5.54 -1.351705243e-03 -1.351705243e-03 5.56 -1.164425891e-03 -1.164425891e-03 5.58 -1.003305523e-03 -1.003305523e-03 5.60 -8.647052543e-04 -8.647052543e-04 5.62 -7.454795084e-04 -7.454795084e-04 5.64 -6.429136533e-04 -6.429136533e-04 5.66 -5.546681735e-04 -5.546681735e-04 5.68 -4.787290939e-04 -4.787290939e-04 5.70 -4.133642432e-04 -4.133642432e-04 5.72 -3.570848802e-04 -3.570848802e-04 5.74 -3.086121776e-04 -3.086121776e-04 5.76 -2.668480602e-04 -2.668480602e-04 5.78 -2.308499118e-04 -2.308499118e-04 5.80 -1.998086943e-04 -1.998086943e-04 5.82 -1.730300626e-04 -1.730300626e-04 5.84 -1.499180918e-04 -1.499180918e-04 5.86 -1.299612779e-04 -1.299612779e-04 5.88 -1.127205091e-04 -1.127205091e-04 5.90 -9.781873953e-05 -9.781873953e-05 5.92 -8.493213143e-05 -8.493213143e-05 5.94 -7.378246232e-05 -7.378246232e-05 5.96 -6.413061835e-05 -6.413061835e-05 5.98 -5.577102083e-05 -5.577102083e-05 6.00 -4.852685271e-05 -4.852685271e-05