# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Zhou-X-W-Jones-R-E-Chu-K--In-Ga-N # implementation = 2017--Zhou-X-W--In-Ga-N--LAMMPS--ipr1 # composition = GaIn2N # 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 2024-11-27 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 1.391999074e+03 1.391999074e+03 1.26 1.234603195e+03 1.234603195e+03 1.28 1.095606373e+03 1.095606373e+03 1.30 9.731478804e+02 9.731478804e+02 1.32 8.651117678e+02 8.651117678e+02 1.34 7.693072502e+02 7.693072502e+02 1.36 6.836823571e+02 6.836823571e+02 1.38 6.068063364e+02 6.068063364e+02 1.40 5.386570279e+02 5.386570279e+02 1.42 4.796297353e+02 4.796297353e+02 1.44 4.287729660e+02 4.287729660e+02 1.46 3.844220851e+02 3.844220851e+02 1.48 3.453517843e+02 3.453517843e+02 1.50 3.107858074e+02 3.107858074e+02 1.52 2.801458541e+02 2.801458541e+02 1.54 2.529623679e+02 2.529623679e+02 1.56 2.288418851e+02 2.288418851e+02 1.58 2.074309438e+02 2.074309438e+02 1.60 1.883920360e+02 1.883920360e+02 1.62 1.714073904e+02 1.714073904e+02 1.64 1.561951070e+02 1.561951070e+02 1.66 1.425163734e+02 1.425163734e+02 1.68 1.301697333e+02 1.301697333e+02 1.70 1.189823665e+02 1.189823665e+02 1.72 1.088044507e+02 1.088044507e+02 1.74 9.950934887e+01 9.950934887e+01 1.76 9.099745910e+01 9.099745910e+01 1.78 8.319661748e+01 8.319661748e+01 1.80 7.605386042e+01 7.605386042e+01 1.82 6.952125364e+01 6.952125364e+01 1.84 6.354566983e+01 6.354566983e+01 1.86 5.806589896e+01 5.806589896e+01 1.88 5.300772510e+01 5.300772510e+01 1.90 4.826468637e+01 4.826468637e+01 1.92 4.368977304e+01 4.368977304e+01 1.94 3.916679018e+01 3.916679018e+01 1.96 3.475208461e+01 3.475208461e+01 1.98 3.069429705e+01 3.069429705e+01 2.00 2.722358023e+01 2.722358023e+01 2.02 2.435230985e+01 2.435230985e+01 2.04 2.192221713e+01 2.192221713e+01 2.06 1.976972233e+01 1.976972233e+01 2.08 1.780229153e+01 1.780229153e+01 2.10 1.598050570e+01 1.598050570e+01 2.12 1.428661218e+01 1.428661218e+01 2.14 1.271103100e+01 1.271103100e+01 2.16 1.124972934e+01 1.124972934e+01 2.18 9.903015335e+00 9.903015335e+00 2.20 8.672871970e+00 8.672871970e+00 2.22 7.559293665e+00 7.559293665e+00 2.24 6.557825511e+00 6.557825511e+00 2.26 5.659646071e+00 5.659646071e+00 2.28 4.853539723e+00 4.853539723e+00 2.30 4.128328600e+00 4.128328600e+00 2.32 3.474402589e+00 3.474402589e+00 2.34 2.884088622e+00 2.884088622e+00 2.36 2.351312496e+00 2.351312496e+00 2.38 1.870979688e+00 1.870979688e+00 2.40 1.438695950e+00 1.438695950e+00 2.42 1.050445296e+00 1.050445296e+00 2.44 7.025121958e-01 7.025121958e-01 2.46 3.914500122e-01 3.914500122e-01 2.48 1.140581037e-01 1.140581037e-01 2.50 -1.326265255e-01 -1.326265255e-01 2.52 -3.513405635e-01 -3.513405635e-01 2.54 -5.446062147e-01 -5.446062147e-01 2.56 -7.147439547e-01 -7.147439547e-01 2.58 -8.638858696e-01 -8.638858696e-01 2.60 -9.939890673e-01 -9.939890673e-01 2.62 -1.106848812e+00 -1.106848812e+00 2.64 -1.204112068e+00 -1.204112068e+00 2.66 -1.287287520e+00 -1.287287520e+00 2.68 -1.357762633e+00 -1.357762633e+00 2.70 -1.416805975e+00 -1.416805975e+00 2.72 -1.465585955e+00 -1.465585955e+00 2.74 -1.505173509e+00 -1.505173509e+00 2.76 -1.536554373e+00 -1.536554373e+00 2.78 -1.560635632e+00 -1.560635632e+00 2.80 -1.578252742e+00 -1.578252742e+00 2.82 -1.590175946e+00 -1.590175946e+00 2.84 -1.597116061e+00 -1.597116061e+00 2.86 -1.599729696e+00 -1.599729696e+00 2.88 -1.598623589e+00 -1.598623589e+00 2.90 -1.594357543e+00 -1.594357543e+00 2.92 -1.587445229e+00 -1.587445229e+00 2.94 -1.578352398e+00 -1.578352398e+00 2.96 -1.567492303e+00 -1.567492303e+00 2.98 -1.555222090e+00 -1.555222090e+00 3.00 -1.541836536e+00 -1.541836536e+00 3.02 -1.527570951e+00 -1.527570951e+00 3.04 -1.512607808e+00 -1.512607808e+00 3.06 -1.497089791e+00 -1.497089791e+00 3.08 -1.481135650e+00 -1.481135650e+00 3.10 -1.464854297e+00 -1.464854297e+00 3.12 -1.448353299e+00 -1.448353299e+00 3.14 -1.431740095e+00 -1.431740095e+00 3.16 -1.415117297e+00 -1.415117297e+00 3.18 -1.398575263e+00 -1.398575263e+00 3.20 -1.382185488e+00 -1.382185488e+00 3.22 -1.365997125e+00 -1.365997125e+00 3.24 -1.350036989e+00 -1.350036989e+00 3.26 -1.334311414e+00 -1.334311414e+00 3.28 -1.318816140e+00 -1.318816140e+00 3.30 -1.303531458e+00 -1.303531458e+00 3.32 -1.288432915e+00 -1.288432915e+00 3.34 -1.273492149e+00 -1.273492149e+00 3.36 -1.258678853e+00 -1.258678853e+00 3.38 -1.243962090e+00 -1.243962090e+00 3.40 -1.229311170e+00 -1.229311170e+00 3.42 -1.214695812e+00 -1.214695812e+00 3.44 -1.200088599e+00 -1.200088599e+00 3.46 -1.185461997e+00 -1.185461997e+00 3.48 -1.170791128e+00 -1.170791128e+00 3.50 -1.156053254e+00 -1.156053254e+00 3.52 -1.141227942e+00 -1.141227942e+00 3.54 -1.126296405e+00 -1.126296405e+00 3.56 -1.111244964e+00 -1.111244964e+00 3.58 -1.096059403e+00 -1.096059403e+00 3.60 -1.080729238e+00 -1.080729238e+00 3.62 -1.065246424e+00 -1.065246424e+00 3.64 -1.049605281e+00 -1.049605281e+00 3.66 -1.033802413e+00 -1.033802413e+00 3.68 -1.017836589e+00 -1.017836589e+00 3.70 -1.001708275e+00 -1.001708275e+00 3.72 -9.854211012e-01 -9.854211012e-01 3.74 -9.689790467e-01 -9.689790467e-01 3.76 -9.523883561e-01 -9.523883561e-01 3.78 -9.356568146e-01 -9.356568146e-01 3.80 -9.187936221e-01 -9.187936221e-01 3.82 -9.018092855e-01 -9.018092855e-01 3.84 -8.847103882e-01 -8.847103882e-01 3.86 -8.675209527e-01 -8.675209527e-01 3.88 -8.502484609e-01 -8.502484609e-01 3.90 -8.329076129e-01 -8.329076129e-01 3.92 -8.155138980e-01 -8.155138980e-01 3.94 -7.980834973e-01 -7.980834973e-01 3.96 -7.806331769e-01 -7.806331769e-01 3.98 -7.631802003e-01 -7.631802003e-01 4.00 -7.457422125e-01 -7.457422125e-01 4.02 -7.283371428e-01 -7.283371428e-01 4.04 -7.109830907e-01 -7.109830907e-01 4.06 -6.936982060e-01 -6.936982060e-01 4.08 -6.765005762e-01 -6.765005762e-01 4.10 -6.594081055e-01 -6.594081055e-01 4.12 -6.424383966e-01 -6.424383966e-01 4.14 -6.256086157e-01 -6.256086157e-01 4.16 -6.089353883e-01 -6.089353883e-01 4.18 -5.924346668e-01 -5.924346668e-01 4.20 -5.761210705e-01 -5.761210705e-01 4.22 -5.600101815e-01 -5.600101815e-01 4.24 -5.441145144e-01 -5.441145144e-01 4.26 -5.284463239e-01 -5.284463239e-01 4.28 -5.130167011e-01 -5.130167011e-01 4.30 -4.978355306e-01 -4.978355306e-01 4.32 -4.829114310e-01 -4.829114310e-01 4.34 -4.682517225e-01 -4.682517225e-01 4.36 -4.538624164e-01 -4.538624164e-01 4.38 -4.397482089e-01 -4.397482089e-01 4.40 -4.259125019e-01 -4.259125019e-01 4.42 -4.123574283e-01 -4.123574283e-01 4.44 -3.990839099e-01 -3.990839099e-01 4.46 -3.860917112e-01 -3.860917112e-01 4.48 -3.733795236e-01 -3.733795236e-01 4.50 -3.609376220e-01 -3.609376220e-01 4.52 -3.487790601e-01 -3.487790601e-01 4.54 -3.368908359e-01 -3.368908359e-01 4.56 -3.252683760e-01 -3.252683760e-01 4.58 -3.139065687e-01 -3.139065687e-01 4.60 -3.027998850e-01 -3.027998850e-01 4.62 -2.919424991e-01 -2.919424991e-01 4.64 -2.813284288e-01 -2.813284288e-01 4.66 -2.709516372e-01 -2.709516372e-01 4.68 -2.608061639e-01 -2.608061639e-01 4.70 -2.508862237e-01 -2.508862237e-01 4.72 -2.411863027e-01 -2.411863027e-01 4.74 -2.317012531e-01 -2.317012531e-01 4.76 -2.224263599e-01 -2.224263599e-01 4.78 -2.133574080e-01 -2.133574080e-01 4.80 -2.044907240e-01 -2.044907240e-01 4.82 -1.958232173e-01 -1.958232173e-01 4.84 -1.873523941e-01 -1.873523941e-01 4.86 -1.790763639e-01 -1.790763639e-01 4.88 -1.709938314e-01 -1.709938314e-01 4.90 -1.631040742e-01 -1.631040742e-01 4.92 -1.554069096e-01 -1.554069096e-01 4.94 -1.479026485e-01 -1.479026485e-01 4.96 -1.405920430e-01 -1.405920430e-01 4.98 -1.334762212e-01 -1.334762212e-01 5.00 -1.265566191e-01 -1.265566191e-01 5.02 -1.198349051e-01 -1.198349051e-01 5.04 -1.133129023e-01 -1.133129023e-01 5.06 -1.069925085e-01 -1.069925085e-01 5.08 -1.008756150e-01 -1.008756150e-01 5.10 -9.496402903e-02 -9.496402903e-02 5.12 -8.925939714e-02 -8.925939714e-02 5.14 -8.376313344e-02 -8.376313344e-02 5.16 -7.847635317e-02 -7.847635317e-02 5.18 -7.339981281e-02 -7.339981281e-02 5.20 -6.853385780e-02 -6.853385780e-02 5.22 -6.387837708e-02 -6.387837708e-02 5.24 -5.943276793e-02 -5.943276793e-02 5.26 -5.519590810e-02 -5.519590810e-02 5.28 -5.116613777e-02 -5.116613777e-02 5.30 -4.734125030e-02 -4.734125030e-02 5.32 -4.371849106e-02 -4.371849106e-02 5.34 -4.029456543e-02 -4.029456543e-02 5.36 -3.706565443e-02 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-1.975136708e-03 -1.975136708e-03 5.90 -1.710278808e-03 -1.710278808e-03 5.92 -1.476997175e-03 -1.476997175e-03 5.94 -1.272787300e-03 -1.272787300e-03 5.96 -1.094139937e-03 -1.094139937e-03 5.98 -9.382692769e-04 -9.382692769e-04 6.00 -8.026321281e-04 -8.026321281e-04