# 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 = AgNi2Pb # 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 2.207997224e+02 2.207997224e+02 1.30 2.046700896e+02 2.046700896e+02 1.32 1.897326971e+02 1.897326971e+02 1.34 1.758920817e+02 1.758920817e+02 1.36 1.630615247e+02 1.630615247e+02 1.38 1.511618258e+02 1.511618258e+02 1.40 1.401206546e+02 1.401206546e+02 1.42 1.298723368e+02 1.298723368e+02 1.44 1.203573236e+02 1.203573236e+02 1.46 1.115211791e+02 1.115211791e+02 1.48 1.033136458e+02 1.033136458e+02 1.50 9.568818153e+01 9.568818153e+01 1.52 8.860177614e+01 8.860177614e+01 1.54 8.201464076e+01 8.201464076e+01 1.56 7.588971100e+01 7.588971100e+01 1.58 7.019226457e+01 7.019226457e+01 1.60 6.488985934e+01 6.488985934e+01 1.62 5.995256686e+01 5.995256686e+01 1.64 5.535352664e+01 5.535352664e+01 1.66 5.107510969e+01 5.107510969e+01 1.68 4.709741128e+01 4.709741128e+01 1.70 4.339911313e+01 4.339911313e+01 1.72 3.996033824e+01 3.996033824e+01 1.74 3.676243598e+01 3.676243598e+01 1.76 3.378798137e+01 3.378798137e+01 1.78 3.102090106e+01 3.102090106e+01 1.80 2.844656878e+01 2.844656878e+01 1.82 2.605177591e+01 2.605177591e+01 1.84 2.382456690e+01 2.382456690e+01 1.86 2.175401269e+01 2.175401269e+01 1.88 1.982998821e+01 1.982998821e+01 1.90 1.804297740e+01 1.804297740e+01 1.92 1.638393403e+01 1.638393403e+01 1.94 1.484421318e+01 1.484421318e+01 1.96 1.341555256e+01 1.341555256e+01 1.98 1.209009904e+01 1.209009904e+01 2.00 1.086045138e+01 1.086045138e+01 2.02 9.719703952e+00 9.719703952e+00 2.04 8.661475640e+00 8.661475640e+00 2.06 7.679917449e+00 7.679917449e+00 2.08 6.769695689e+00 6.769695689e+00 2.10 5.925955311e+00 5.925955311e+00 2.12 5.144269302e+00 5.144269302e+00 2.14 4.420577635e+00 4.420577635e+00 2.16 3.751126524e+00 3.751126524e+00 2.18 3.132412537e+00 3.132412537e+00 2.20 2.561135436e+00 2.561135436e+00 2.22 2.034167157e+00 2.034167157e+00 2.24 1.548536449e+00 1.548536449e+00 2.26 1.101427550e+00 1.101427550e+00 2.28 6.901815204e-01 6.901815204e-01 2.30 3.122975240e-01 3.122975240e-01 2.32 -3.458525260e-02 -3.458525260e-02 2.34 -3.527005024e-01 -3.527005024e-01 2.36 -6.441706437e-01 -6.441706437e-01 2.38 -9.110029335e-01 -9.110029335e-01 2.40 -1.155072955e+00 -1.155072955e+00 2.42 -1.378104957e+00 -1.378104957e+00 2.44 -1.581660541e+00 -1.581660541e+00 2.46 -1.767141371e+00 -1.767141371e+00 2.48 -1.935804337e+00 -1.935804337e+00 2.50 -2.088779632e+00 -2.088779632e+00 2.52 -2.227100420e+00 -2.227100420e+00 2.54 -2.351724923e+00 -2.351724923e+00 2.56 -2.463553740e+00 -2.463553740e+00 2.58 -2.563442544e+00 -2.563442544e+00 2.60 -2.652210124e+00 -2.652210124e+00 2.62 -2.730638699e+00 -2.730638699e+00 2.64 -2.799341985e+00 -2.799341985e+00 2.66 -2.858750496e+00 -2.858750496e+00 2.68 -2.909318101e+00 -2.909318101e+00 2.70 -2.951531726e+00 -2.951531726e+00 2.72 -2.985907031e+00 -2.985907031e+00 2.74 -3.012981950e+00 -3.012981950e+00 2.76 -3.033305694e+00 -3.033305694e+00 2.78 -3.047436727e+00 -3.047436727e+00 2.80 -3.055987864e+00 -3.055987864e+00 2.82 -3.059372603e+00 -3.059372603e+00 2.84 -3.057938560e+00 -3.057938560e+00 2.86 -3.052000898e+00 -3.052000898e+00 2.88 -3.041843333e+00 -3.041843333e+00 2.90 -3.027723675e+00 -3.027723675e+00 2.92 -3.009881175e+00 -3.009881175e+00 2.94 -2.988543775e+00 -2.988543775e+00 2.96 -2.963937858e+00 -2.963937858e+00 2.98 -2.936294637e+00 -2.936294637e+00 3.00 -2.905846570e+00 -2.905846570e+00 3.02 -2.872836651e+00 -2.872836651e+00 3.04 -2.837534402e+00 -2.837534402e+00 3.06 -2.800151440e+00 -2.800151440e+00 3.08 -2.760897372e+00 -2.760897372e+00 3.10 -2.719988649e+00 -2.719988649e+00 3.12 -2.677642086e+00 -2.677642086e+00 3.14 -2.634072948e+00 -2.634072948e+00 3.16 -2.589486335e+00 -2.589486335e+00 3.18 -2.544076729e+00 -2.544076729e+00 3.20 -2.498018153e+00 -2.498018153e+00 3.22 -2.451463851e+00 -2.451463851e+00 3.24 -2.404552740e+00 -2.404552740e+00 3.26 -2.357408420e+00 -2.357408420e+00 3.28 -2.310138803e+00 -2.310138803e+00 3.30 -2.262836642e+00 -2.262836642e+00 3.32 -2.215580822e+00 -2.215580822e+00 3.34 -2.168438120e+00 -2.168438120e+00 3.36 -2.121465089e+00 -2.121465089e+00 3.38 -2.074709758e+00 -2.074709758e+00 3.40 -2.028212788e+00 -2.028212788e+00 3.42 -1.982009176e+00 -1.982009176e+00 3.44 -1.936127647e+00 -1.936127647e+00 3.46 -1.890591911e+00 -1.890591911e+00 3.48 -1.845420793e+00 -1.845420793e+00 3.50 -1.800628667e+00 -1.800628667e+00 3.52 -1.756226060e+00 -1.756226060e+00 3.54 -1.712220440e+00 -1.712220440e+00 3.56 -1.668617183e+00 -1.668617183e+00 3.58 -1.625420643e+00 -1.625420643e+00 3.60 -1.582635259e+00 -1.582635259e+00 3.62 -1.540266611e+00 -1.540266611e+00 3.64 -1.498322380e+00 -1.498322380e+00 3.66 -1.456813175e+00 -1.456813175e+00 3.68 -1.415753198e+00 -1.415753198e+00 3.70 -1.375160787e+00 -1.375160787e+00 3.72 -1.335058818e+00 -1.335058818e+00 3.74 -1.295475005e+00 -1.295475005e+00 3.76 -1.256442081e+00 -1.256442081e+00 3.78 -1.217997837e+00 -1.217997837e+00 3.80 -1.180184923e+00 -1.180184923e+00 3.82 -1.143050304e+00 -1.143050304e+00 3.84 -1.106644199e+00 -1.106644199e+00 3.86 -1.071018387e+00 -1.071018387e+00 3.88 -1.036223838e+00 -1.036223838e+00 3.90 -1.002307801e+00 -1.002307801e+00 3.92 -9.693102763e-01 -9.693102763e-01 3.94 -9.372625366e-01 -9.372625366e-01 3.96 -9.061823488e-01 -9.061823488e-01 3.98 -8.760742407e-01 -8.760742407e-01 4.00 -8.469287756e-01 -8.469287756e-01 4.02 -8.187233722e-01 -8.187233722e-01 4.04 -7.914240032e-01 -7.914240032e-01 4.06 -7.649874549e-01 -7.649874549e-01 4.08 -7.393638178e-01 -7.393638178e-01 4.10 -7.144978706e-01 -7.144978706e-01 4.12 -6.903357374e-01 -6.903357374e-01 4.14 -6.668198056e-01 -6.668198056e-01 4.16 -6.438952059e-01 -6.438952059e-01 4.18 -6.215098029e-01 -6.215098029e-01 4.20 -5.996152645e-01 -5.996152645e-01 4.22 -5.781679773e-01 -5.781679773e-01 4.24 -5.571298636e-01 -5.571298636e-01 4.26 -5.364691376e-01 -5.364691376e-01 4.28 -5.161610133e-01 -5.161610133e-01 4.30 -4.961883580e-01 -4.961883580e-01 4.32 -4.765422626e-01 -4.765422626e-01 4.34 -4.572224824e-01 -4.572224824e-01 4.36 -4.382376822e-01 -4.382376822e-01 4.38 -4.196054034e-01 -4.196054034e-01 4.40 -4.013516584e-01 -4.013516584e-01 4.42 -3.835100580e-01 -3.835100580e-01 4.44 -3.661204040e-01 -3.661204040e-01 4.46 -3.492267222e-01 -3.492267222e-01 4.48 -3.328747946e-01 -3.328747946e-01 4.50 -3.171093371e-01 -3.171093371e-01 4.52 -3.019710561e-01 -3.019710561e-01 4.54 -2.874938741e-01 -2.874938741e-01 4.56 -2.737026195e-01 -2.737026195e-01 4.58 -2.606114237e-01 -2.606114237e-01 4.60 -2.482229734e-01 -2.482229734e-01 4.62 -2.365286342e-01 -2.365286342e-01 4.64 -2.255093641e-01 -2.255093641e-01 4.66 -2.151372419e-01 -2.151372419e-01 4.68 -2.053773688e-01 -2.053773688e-01 4.70 -1.961899191e-01 -1.961899191e-01 4.72 -1.875321634e-01 -1.875321634e-01 4.74 -1.793601565e-01 -1.793601565e-01 4.76 -1.716298974e-01 -1.716298974e-01 4.78 -1.643004888e-01 -1.643004888e-01 4.80 -1.573328053e-01 -1.573328053e-01 4.82 -1.506933753e-01 -1.506933753e-01 4.84 -1.443497568e-01 -1.443497568e-01 4.86 -1.382744449e-01 -1.382744449e-01 4.88 -1.324440103e-01 -1.324440103e-01 4.90 -1.268390216e-01 -1.268390216e-01 4.92 -1.214438346e-01 -1.214438346e-01 4.94 -1.162462739e-01 -1.162462739e-01 4.96 -1.112372264e-01 -1.112372264e-01 4.98 -1.064101675e-01 -1.064101675e-01 5.00 -1.017606420e-01 -1.017606420e-01 5.02 -9.728572519e-02 -9.728572519e-02 5.04 -9.298349350e-02 -9.298349350e-02 5.06 -8.885253307e-02 -8.885253307e-02 5.08 -8.489151399e-02 -8.489151399e-02 5.10 -8.109885077e-02 -8.109885077e-02 5.12 -7.747246231e-02 -7.747246231e-02 5.14 -7.400963303e-02 -7.400963303e-02 5.16 -7.070696739e-02 -7.070696739e-02 5.18 -6.756042191e-02 -6.756042191e-02 5.20 -6.456539269e-02 -6.456539269e-02 5.22 -6.171683522e-02 -6.171683522e-02 5.24 -5.900939399e-02 -5.900939399e-02 5.26 -5.643751499e-02 -5.643751499e-02 5.28 -5.399545654e-02 -5.399545654e-02 5.30 -5.167757874e-02 -5.167757874e-02 5.32 -4.947830625e-02 -4.947830625e-02 5.34 -4.739210245e-02 -4.739210245e-02 5.36 -4.541347218e-02 -4.541347218e-02 5.38 -4.353695500e-02 -4.353695500e-02 5.40 -4.175711639e-02 -4.175711639e-02 5.42 -4.006854280e-02 -4.006854280e-02 5.44 -3.846584421e-02 -3.846584421e-02 5.46 -3.694366549e-02 -3.694366549e-02 5.48 -3.549670619e-02 -3.549670619e-02 5.50 -3.411974672e-02 -3.411974672e-02 5.52 -3.280767834e-02 -3.280767834e-02 5.54 -3.155553403e-02 -3.155553403e-02 5.56 -3.035851788e-02 -3.035851788e-02 5.58 -2.921203099e-02 -2.921203099e-02 5.60 -2.811169273e-02 -2.811169273e-02 5.62 -2.705335709e-02 -2.705335709e-02 5.64 -2.603312373e-02 -2.603312373e-02 5.66 -2.504734495e-02 -2.504734495e-02 5.68 -2.409262926e-02 -2.409262926e-02 5.70 -2.316584255e-02 -2.316584255e-02 5.72 -2.226410792e-02 -2.226410792e-02 5.74 -2.138480532e-02 -2.138480532e-02 5.76 -2.052557165e-02 -2.052557165e-02 5.78 -1.968430206e-02 -1.968430206e-02 5.80 -1.885915288e-02 -1.885915288e-02 5.82 -1.804854613e-02 -1.804854613e-02 5.84 -1.725117550e-02 -1.725117550e-02 5.86 -1.646601332e-02 -1.646601332e-02 5.88 -1.569231770e-02 -1.569231770e-02 5.90 -1.492963873e-02 -1.492963873e-02 5.92 -1.417782245e-02 -1.417782245e-02 5.94 -1.343699955e-02 -1.343699955e-02 5.96 -1.270752457e-02 -1.270752457e-02 5.98 -1.199011464e-02 -1.199011464e-02 6.00 -1.128576509e-02 -1.128576509e-02