# 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 = Ag2TaW # 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 3.845255725e+02 3.845255725e+02 1.30 3.561343686e+02 3.561343686e+02 1.32 3.298809562e+02 3.298809562e+02 1.34 3.055922623e+02 3.055922623e+02 1.36 2.831103778e+02 2.831103778e+02 1.38 2.622912427e+02 2.622912427e+02 1.40 2.430033881e+02 2.430033881e+02 1.42 2.251266637e+02 2.251266637e+02 1.44 2.085508237e+02 2.085508237e+02 1.46 1.931740979e+02 1.931740979e+02 1.48 1.789021902e+02 1.789021902e+02 1.50 1.656479740e+02 1.656479740e+02 1.52 1.533316474e+02 1.533316474e+02 1.54 1.418808761e+02 1.418808761e+02 1.56 1.312306345e+02 1.312306345e+02 1.58 1.213226799e+02 1.213226799e+02 1.60 1.121046933e+02 1.121046933e+02 1.62 1.035292138e+02 1.035292138e+02 1.64 9.555258535e+01 9.555258535e+01 1.66 8.813412552e+01 8.813412552e+01 1.68 8.123562461e+01 8.123562461e+01 1.70 7.482113933e+01 7.482113933e+01 1.72 6.885694671e+01 6.885694671e+01 1.74 6.331151128e+01 6.331151128e+01 1.76 5.815540281e+01 5.815540281e+01 1.78 5.336119171e+01 5.336119171e+01 1.80 4.890337921e+01 4.890337921e+01 1.82 4.476169147e+01 4.476169147e+01 1.84 4.091672874e+01 4.091672874e+01 1.86 3.734780651e+01 3.734780651e+01 1.88 3.403587021e+01 3.403587021e+01 1.90 3.096486457e+01 3.096486457e+01 1.92 2.811996261e+01 2.811996261e+01 1.94 2.548557142e+01 2.548557142e+01 1.96 2.304699509e+01 2.304699509e+01 1.98 2.079032604e+01 2.079032604e+01 2.00 1.870238427e+01 1.870238427e+01 2.02 1.677070307e+01 1.677070307e+01 2.04 1.498354804e+01 1.498354804e+01 2.06 1.332994555e+01 1.332994555e+01 2.08 1.179969619e+01 1.179969619e+01 2.10 1.038336468e+01 1.038336468e+01 2.12 9.072255279e+00 9.072255279e+00 2.14 7.858387922e+00 7.858387922e+00 2.16 6.734482117e+00 6.734482117e+00 2.18 5.693942473e+00 5.693942473e+00 2.20 4.730832370e+00 4.730832370e+00 2.22 3.839824128e+00 3.839824128e+00 2.24 3.016122923e+00 3.016122923e+00 2.26 2.255371762e+00 2.255371762e+00 2.28 1.553551461e+00 1.553551461e+00 2.30 9.068907922e-01 9.068907922e-01 2.32 3.117987493e-01 3.117987493e-01 2.34 -2.351746481e-01 -2.351746481e-01 2.36 -7.373488827e-01 -7.373488827e-01 2.38 -1.197900427e+00 -1.197900427e+00 2.40 -1.619837055e+00 -1.619837055e+00 2.42 -2.005938808e+00 -2.005938808e+00 2.44 -2.358748915e+00 -2.358748915e+00 2.46 -2.680715298e+00 -2.680715298e+00 2.48 -2.973949620e+00 -2.973949620e+00 2.50 -3.240536705e+00 -3.240536705e+00 2.52 -3.482460943e+00 -3.482460943e+00 2.54 -3.701516133e+00 -3.701516133e+00 2.56 -3.899340539e+00 -3.899340539e+00 2.58 -4.077430745e+00 -4.077430745e+00 2.60 -4.236991409e+00 -4.236991409e+00 2.62 -4.378909728e+00 -4.378909728e+00 2.64 -4.503845818e+00 -4.503845818e+00 2.66 -4.612476846e+00 -4.612476846e+00 2.68 -4.705493766e+00 -4.705493766e+00 2.70 -4.783577178e+00 -4.783577178e+00 2.72 -4.847383058e+00 -4.847383058e+00 2.74 -4.897537698e+00 -4.897537698e+00 2.76 -4.934639357e+00 -4.934639357e+00 2.78 -4.959263758e+00 -4.959263758e+00 2.80 -4.971971301e+00 -4.971971301e+00 2.82 -4.973315015e+00 -4.973315015e+00 2.84 -4.963849141e+00 -4.963849141e+00 2.86 -4.944138420e+00 -4.944138420e+00 2.88 -4.914767875e+00 -4.914767875e+00 2.90 -4.876352312e+00 -4.876352312e+00 2.92 -4.829544123e+00 -4.829544123e+00 2.94 -4.775037683e+00 -4.775037683e+00 2.96 -4.713568589e+00 -4.713568589e+00 2.98 -4.645906513e+00 -4.645906513e+00 3.00 -4.572841269e+00 -4.572841269e+00 3.02 -4.495162887e+00 -4.495162887e+00 3.04 -4.413637634e+00 -4.413637634e+00 3.06 -4.328982905e+00 -4.328982905e+00 3.08 -4.241844388e+00 -4.241844388e+00 3.10 -4.152778818e+00 -4.152778818e+00 3.12 -4.062244847e+00 -4.062244847e+00 3.14 -3.970629212e+00 -3.970629212e+00 3.16 -3.878402232e+00 -3.878402232e+00 3.18 -3.785612497e+00 -3.785612497e+00 3.20 -3.692200565e+00 -3.692200565e+00 3.22 -3.598112196e+00 -3.598112196e+00 3.24 -3.503314100e+00 -3.503314100e+00 3.26 -3.407806784e+00 -3.407806784e+00 3.28 -3.311633081e+00 -3.311633081e+00 3.30 -3.214887317e+00 -3.214887317e+00 3.32 -3.117731228e+00 -3.117731228e+00 3.34 -3.020368639e+00 -3.020368639e+00 3.36 -2.923030699e+00 -2.923030699e+00 3.38 -2.825966380e+00 -2.825966380e+00 3.40 -2.729432667e+00 -2.729432667e+00 3.42 -2.633685434e+00 -2.633685434e+00 3.44 -2.538971511e+00 -2.538971511e+00 3.46 -2.445522034e+00 -2.445522034e+00 3.48 -2.353546935e+00 -2.353546935e+00 3.50 -2.263230341e+00 -2.263230341e+00 3.52 -2.174726806e+00 -2.174726806e+00 3.54 -2.088158505e+00 -2.088158505e+00 3.56 -2.003613662e+00 -2.003613662e+00 3.58 -1.921146610e+00 -1.921146610e+00 3.60 -1.840779774e+00 -1.840779774e+00 3.62 -1.762507694e+00 -1.762507694e+00 3.64 -1.686302968e+00 -1.686302968e+00 3.66 -1.612123710e+00 -1.612123710e+00 3.68 -1.539921922e+00 -1.539921922e+00 3.70 -1.469652035e+00 -1.469652035e+00 3.72 -1.401278815e+00 -1.401278815e+00 3.74 -1.334783874e+00 -1.334783874e+00 3.76 -1.270170137e+00 -1.270170137e+00 3.78 -1.207463813e+00 -1.207463813e+00 3.80 -1.146713657e+00 -1.146713657e+00 3.82 -1.087987593e+00 -1.087987593e+00 3.84 -1.031367070e+00 -1.031367070e+00 3.86 -9.769397696e-01 -9.769397696e-01 3.88 -9.247914727e-01 -9.247914727e-01 3.90 -8.749979591e-01 -8.749979591e-01 3.92 -8.276177868e-01 -8.276177868e-01 3.94 -7.826866224e-01 -7.826866224e-01 3.96 -7.402135536e-01 -7.402135536e-01 3.98 -7.001795604e-01 -7.001795604e-01 4.00 -6.625380362e-01 -6.625380362e-01 4.02 -6.272170614e-01 -6.272170614e-01 4.04 -5.941229965e-01 -5.941229965e-01 4.06 -5.631449157e-01 -5.631449157e-01 4.08 -5.341594210e-01 -5.341594210e-01 4.10 -5.070354432e-01 -5.070354432e-01 4.12 -4.816387524e-01 -4.816387524e-01 4.14 -4.578359318e-01 -4.578359318e-01 4.16 -4.354977635e-01 -4.354977635e-01 4.18 -4.145019292e-01 -4.145019292e-01 4.20 -3.947350442e-01 -3.947350442e-01 4.22 -3.760940394e-01 -3.760940394e-01 4.24 -3.584869242e-01 -3.584869242e-01 4.26 -3.418329692e-01 -3.418329692e-01 4.28 -3.260623503e-01 -3.260623503e-01 4.30 -3.111153137e-01 -3.111153137e-01 4.32 -2.969409383e-01 -2.969409383e-01 4.34 -2.834956014e-01 -2.834956014e-01 4.36 -2.707412760e-01 -2.707412760e-01 4.38 -2.586438082e-01 -2.586438082e-01 4.40 -2.471713183e-01 -2.471713183e-01 4.42 -2.362928529e-01 -2.362928529e-01 4.44 -2.259773714e-01 -2.259773714e-01 4.46 -2.161931064e-01 -2.161931064e-01 4.48 -2.069072897e-01 -2.069072897e-01 4.50 -1.980861834e-01 -1.980861834e-01 4.52 -1.896950419e-01 -1.896950419e-01 4.54 -1.816988747e-01 -1.816988747e-01 4.56 -1.740635253e-01 -1.740635253e-01 4.58 -1.667552480e-01 -1.667552480e-01 4.60 -1.597411990e-01 -1.597411990e-01 4.62 -1.529898533e-01 -1.529898533e-01 4.64 -1.464713286e-01 -1.464713286e-01 4.66 -1.401576317e-01 -1.401576317e-01 4.68 -1.340228497e-01 -1.340228497e-01 4.70 -1.280433083e-01 -1.280433083e-01 4.72 -1.221977186e-01 -1.221977186e-01 4.74 -1.164673292e-01 -1.164673292e-01 4.76 -1.108360952e-01 -1.108360952e-01 4.78 -1.052908674e-01 -1.052908674e-01 4.80 -9.982159684e-02 -9.982159684e-02 4.82 -9.442154911e-02 -9.442154911e-02 4.84 -8.908748879e-02 -8.908748879e-02 4.86 -8.381983144e-02 -8.381983144e-02 4.88 -7.862270948e-02 -7.862270948e-02 4.90 -7.350392445e-02 -7.350392445e-02 4.92 -6.847475120e-02 -6.847475120e-02 4.94 -6.354956907e-02 -6.354956907e-02 4.96 -5.874530926e-02 -5.874530926e-02 4.98 -5.408072637e-02 -5.408072637e-02 5.00 -4.957552495e-02 -4.957552495e-02 5.02 -4.524938722e-02 -4.524938722e-02 5.04 -4.112097602e-02 -4.112097602e-02 5.06 -3.720698768e-02 -3.720698768e-02 5.08 -3.352132686e-02 -3.352132686e-02 5.10 -3.007447085e-02 -3.007447085e-02 5.12 -2.687306141e-02 -2.687306141e-02 5.14 -2.391974035e-02 -2.391974035e-02 5.16 -2.121322787e-02 -2.121322787e-02 5.18 -1.874860877e-02 -1.874860877e-02 5.20 -1.651762616e-02 -1.651762616e-02 5.22 -1.450930377e-02 -1.450930377e-02 5.24 -1.271112795e-02 -1.271112795e-02 5.26 -1.110907665e-02 -1.110907665e-02 5.28 -9.688196592e-03 -9.688196592e-03 5.30 -8.433138960e-03 -8.433138960e-03 5.32 -7.328607968e-03 -7.328607968e-03 5.34 -6.359717328e-03 -6.359717328e-03 5.36 -5.512257559e-03 -5.512257559e-03 5.38 -4.772882289e-03 -4.772882289e-03 5.40 -4.129224735e-03 -4.129224735e-03 5.42 -3.569956733e-03 -3.569956733e-03 5.44 -3.084802520e-03 -3.084802520e-03 5.46 -2.664518516e-03 -2.664518516e-03 5.48 -2.300848874e-03 -2.300848874e-03 5.50 -1.986464940e-03 -1.986464940e-03 5.52 -1.714895139e-03 -1.714895139e-03 5.54 -1.480450321e-03 -1.480450321e-03 5.56 -1.278148298e-03 -1.278148298e-03 5.58 -1.103640215e-03 -1.103640215e-03 5.60 -9.531405681e-04 -9.531405681e-04 5.62 -8.233619524e-04 -8.233619524e-04 5.64 -7.114551624e-04 -7.114551624e-04 5.66 -6.149548597e-04 -6.149548597e-04 5.68 -5.317307787e-04 -5.317307787e-04 5.70 -4.599442551e-04 -4.599442551e-04 5.72 -3.980097539e-04 -3.980097539e-04 5.74 -3.445610097e-04 -3.445610097e-04 5.76 -2.984213603e-04 -2.984213603e-04 5.78 -2.585778571e-04 -2.585778571e-04 5.80 -2.241587409e-04 -2.241587409e-04 5.82 -1.944138999e-04 -1.944138999e-04 5.84 -1.686979510e-04 -1.686979510e-04 5.86 -1.464556212e-04 -1.464556212e-04 5.88 -1.272091340e-04 -1.272091340e-04 5.90 -1.105473402e-04 -1.105473402e-04 5.92 -9.611636116e-05 -9.611636116e-05 5.94 -8.361154099e-05 -8.361154099e-05 5.96 -7.277052783e-05 -7.277052783e-05 5.98 -6.336732991e-05 -6.336732991e-05 6.00 -5.520721004e-05 -5.520721004e-05