# 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 = MoPbPd2 # 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 3.761608032e+02 3.761608032e+02 1.30 3.500345333e+02 3.500345333e+02 1.32 3.257406510e+02 3.257406510e+02 1.34 3.031472788e+02 3.031472788e+02 1.36 2.821367022e+02 2.821367022e+02 1.38 2.626003457e+02 2.626003457e+02 1.40 2.444349158e+02 2.444349158e+02 1.42 2.275402561e+02 2.275402561e+02 1.44 2.118192132e+02 2.118192132e+02 1.46 1.971791201e+02 1.971791201e+02 1.48 1.835336354e+02 1.835336354e+02 1.50 1.708037707e+02 1.708037707e+02 1.52 1.589178977e+02 1.589178977e+02 1.54 1.478111690e+02 1.478111690e+02 1.56 1.374248283e+02 1.374248283e+02 1.58 1.277055467e+02 1.277055467e+02 1.60 1.186048051e+02 1.186048051e+02 1.62 1.100783383e+02 1.100783383e+02 1.64 1.020857153e+02 1.020857153e+02 1.66 9.459009812e+01 9.459009812e+01 1.68 8.755810469e+01 8.755810469e+01 1.70 8.095961877e+01 8.095961877e+01 1.72 7.476764432e+01 7.476764432e+01 1.74 6.895952103e+01 6.895952103e+01 1.76 6.353272304e+01 6.353272304e+01 1.78 5.849117971e+01 5.849117971e+01 1.80 5.381107562e+01 5.381107562e+01 1.82 4.946942868e+01 4.946942868e+01 1.84 4.544419658e+01 4.544419658e+01 1.86 4.171407358e+01 4.171407358e+01 1.88 3.825843594e+01 3.825843594e+01 1.90 3.505741303e+01 3.505741303e+01 1.92 3.209205853e+01 3.209205853e+01 1.94 2.934453670e+01 2.934453670e+01 1.96 2.679827276e+01 2.679827276e+01 1.98 2.443800932e+01 2.443800932e+01 2.00 2.224976520e+01 2.224976520e+01 2.02 2.022072255e+01 2.022072255e+01 2.04 1.833907864e+01 1.833907864e+01 2.06 1.659390169e+01 1.659390169e+01 2.08 1.497501780e+01 1.497501780e+01 2.10 1.347294863e+01 1.347294863e+01 2.12 1.207889013e+01 1.207889013e+01 2.14 1.078472290e+01 1.078472290e+01 2.16 9.583026330e+00 9.583026330e+00 2.18 8.467077524e+00 8.467077524e+00 2.20 7.430821147e+00 7.430821147e+00 2.22 6.468815597e+00 6.468815597e+00 2.24 5.576160482e+00 5.576160482e+00 2.26 4.748417664e+00 4.748417664e+00 2.28 3.981530171e+00 3.981530171e+00 2.30 3.271753906e+00 3.271753906e+00 2.32 2.615590703e+00 2.615590703e+00 2.34 2.009738885e+00 2.009738885e+00 2.36 1.451053706e+00 1.451053706e+00 2.38 9.365230594e-01 9.365230594e-01 2.40 4.632559981e-01 4.632559981e-01 2.42 2.848148100e-02 2.848148100e-02 2.44 -3.704480952e-01 -3.704480952e-01 2.46 -7.360107603e-01 -7.360107603e-01 2.48 -1.070484793e+00 -1.070484793e+00 2.50 -1.376242428e+00 -1.376242428e+00 2.52 -1.655499337e+00 -1.655499337e+00 2.54 -1.910279030e+00 -1.910279030e+00 2.56 -2.142407485e+00 -2.142407485e+00 2.58 -2.353516569e+00 -2.353516569e+00 2.60 -2.545058627e+00 -2.545058627e+00 2.62 -2.718318937e+00 -2.718318937e+00 2.64 -2.874327395e+00 -2.874327395e+00 2.66 -3.013962891e+00 -3.013962891e+00 2.68 -3.138073858e+00 -3.138073858e+00 2.70 -3.247484274e+00 -3.247484274e+00 2.72 -3.342994878e+00 -3.342994878e+00 2.74 -3.425381955e+00 -3.425381955e+00 2.76 -3.495479509e+00 -3.495479509e+00 2.78 -3.554564589e+00 -3.554564589e+00 2.80 -3.603175334e+00 -3.603175334e+00 2.82 -3.641705929e+00 -3.641705929e+00 2.84 -3.670568187e+00 -3.670568187e+00 2.86 -3.690189850e+00 -3.690189850e+00 2.88 -3.701015225e+00 -3.701015225e+00 2.90 -3.703506122e+00 -3.703506122e+00 2.92 -3.698141305e+00 -3.698141305e+00 2.94 -3.685434012e+00 -3.685434012e+00 2.96 -3.665971065e+00 -3.665971065e+00 2.98 -3.640332492e+00 -3.640332492e+00 3.00 -3.609066985e+00 -3.609066985e+00 3.02 -3.572687062e+00 -3.572687062e+00 3.04 -3.531666139e+00 -3.531666139e+00 3.06 -3.486442351e+00 -3.486442351e+00 3.08 -3.437416287e+00 -3.437416287e+00 3.10 -3.385009920e+00 -3.385009920e+00 3.12 -3.329514808e+00 -3.329514808e+00 3.14 -3.271169379e+00 -3.271169379e+00 3.16 -3.210216399e+00 -3.210216399e+00 3.18 -3.146899402e+00 -3.146899402e+00 3.20 -3.081456910e+00 -3.081456910e+00 3.22 -3.014115176e+00 -3.014115176e+00 3.24 -2.945077854e+00 -2.945077854e+00 3.26 -2.874545264e+00 -2.874545264e+00 3.28 -2.802720295e+00 -2.802720295e+00 3.30 -2.729811177e+00 -2.729811177e+00 3.32 -2.656035422e+00 -2.656035422e+00 3.34 -2.581623801e+00 -2.581623801e+00 3.36 -2.506823208e+00 -2.506823208e+00 3.38 -2.431897509e+00 -2.431897509e+00 3.40 -2.357125611e+00 -2.357125611e+00 3.42 -2.282797727e+00 -2.282797727e+00 3.44 -2.209207233e+00 -2.209207233e+00 3.46 -2.136642759e+00 -2.136642759e+00 3.48 -2.065378355e+00 -2.065378355e+00 3.50 -1.995664056e+00 -1.995664056e+00 3.52 -1.927717633e+00 -1.927717633e+00 3.54 -1.861718353e+00 -1.861718353e+00 3.56 -1.797803257e+00 -1.797803257e+00 3.58 -1.736066130e+00 -1.736066130e+00 3.60 -1.676558999e+00 -1.676558999e+00 3.62 -1.619295732e+00 -1.619295732e+00 3.64 -1.564257144e+00 -1.564257144e+00 3.66 -1.511396933e+00 -1.511396933e+00 3.68 -1.460647839e+00 -1.460647839e+00 3.70 -1.411927470e+00 -1.411927470e+00 3.72 -1.365143427e+00 -1.365143427e+00 3.74 -1.320197505e+00 -1.320197505e+00 3.76 -1.276988927e+00 -1.276988927e+00 3.78 -1.235416697e+00 -1.235416697e+00 3.80 -1.195381242e+00 -1.195381242e+00 3.82 -1.156785573e+00 -1.156785573e+00 3.84 -1.119536168e+00 -1.119536168e+00 3.86 -1.083543716e+00 -1.083543716e+00 3.88 -1.048723833e+00 -1.048723833e+00 3.90 -1.014997781e+00 -1.014997781e+00 3.92 -9.822927192e-01 -9.822927192e-01 3.94 -9.505443231e-01 -9.505443231e-01 3.96 -9.196943949e-01 -9.196943949e-01 3.98 -8.896935504e-01 -8.896935504e-01 4.00 -8.605010760e-01 -8.605010760e-01 4.02 -8.320851594e-01 -8.320851594e-01 4.04 -8.044228525e-01 -8.044228525e-01 4.06 -7.774996816e-01 -7.774996816e-01 4.08 -7.513088276e-01 -7.513088276e-01 4.10 -7.258488441e-01 -7.258488441e-01 4.12 -7.011260393e-01 -7.011260393e-01 4.14 -6.771458440e-01 -6.771458440e-01 4.16 -6.539150558e-01 -6.539150558e-01 4.18 -6.314383184e-01 -6.314383184e-01 4.20 -6.097160741e-01 -6.097160741e-01 4.22 -5.887429901e-01 -5.887429901e-01 4.24 -5.685070007e-01 -5.685070007e-01 4.26 -5.489890136e-01 -5.489890136e-01 4.28 -5.301632294e-01 -5.301632294e-01 4.30 -5.119979515e-01 -5.119979515e-01 4.32 -4.944567191e-01 -4.944567191e-01 4.34 -4.774995959e-01 -4.774995959e-01 4.36 -4.610844657e-01 -4.610844657e-01 4.38 -4.451682291e-01 -4.451682291e-01 4.40 -4.297078435e-01 -4.297078435e-01 4.42 -4.146611847e-01 -4.146611847e-01 4.44 -3.999877451e-01 -3.999877451e-01 4.46 -3.856492019e-01 -3.856492019e-01 4.48 -3.716098994e-01 -3.716098994e-01 4.50 -3.578372905e-01 -3.578372905e-01 4.52 -3.443023768e-01 -3.443023768e-01 4.54 -3.309801761e-01 -3.309801761e-01 4.56 -3.178502306e-01 -3.178502306e-01 4.58 -3.048971502e-01 -3.048971502e-01 4.60 -2.921111674e-01 -2.921111674e-01 4.62 -2.794886576e-01 -2.794886576e-01 4.64 -2.670325603e-01 -2.670325603e-01 4.66 -2.547526247e-01 -2.547526247e-01 4.68 -2.426653938e-01 -2.426653938e-01 4.70 -2.307938518e-01 -2.307938518e-01 4.72 -2.191666766e-01 -2.191666766e-01 4.74 -2.078170789e-01 -2.078170789e-01 4.76 -1.967812545e-01 -1.967812545e-01 4.78 -1.860965323e-01 -1.860965323e-01 4.80 -1.757985742e-01 -1.757985742e-01 4.82 -1.659225619e-01 -1.659225619e-01 4.84 -1.564963058e-01 -1.564963058e-01 4.86 -1.475422287e-01 -1.475422287e-01 4.88 -1.390753859e-01 -1.390753859e-01 4.90 -1.311029302e-01 -1.311029302e-01 4.92 -1.236241211e-01 -1.236241211e-01 4.94 -1.166308123e-01 -1.166308123e-01 4.96 -1.101083187e-01 -1.101083187e-01 4.98 -1.040365409e-01 -1.040365409e-01 5.00 -9.839123243e-02 -9.839123243e-02 5.02 -9.314528902e-02 -9.314528902e-02 5.04 -8.826951536e-02 -8.826951536e-02 5.06 -8.373446004e-02 -8.373446004e-02 5.08 -7.951171585e-02 -7.951171585e-02 5.10 -7.557372076e-02 -7.557372076e-02 5.12 -7.189440267e-02 -7.189440267e-02 5.14 -6.844962520e-02 -6.844962520e-02 5.16 -6.521745620e-02 -6.521745620e-02 5.18 -6.217828897e-02 -6.217828897e-02 5.20 -5.931485000e-02 -5.931485000e-02 5.22 -5.661211045e-02 -5.661211045e-02 5.24 -5.405712651e-02 -5.405712651e-02 5.26 -5.163882846e-02 -5.163882846e-02 5.28 -4.934777612e-02 -4.934777612e-02 5.30 -4.717584557e-02 -4.717584557e-02 5.32 -4.511596787e-02 -4.511596787e-02 5.34 -4.316209478e-02 -4.316209478e-02 5.36 -4.130878561e-02 -4.130878561e-02 5.38 -3.955100099e-02 -3.955100099e-02 5.40 -3.788394545e-02 -3.788394545e-02 5.42 -3.630294905e-02 -3.630294905e-02 5.44 -3.480338782e-02 -3.480338782e-02 5.46 -3.338063942e-02 -3.338063942e-02 5.48 -3.203006854e-02 -3.203006854e-02 5.50 -3.074703523e-02 -3.074703523e-02 5.52 -2.952691910e-02 -2.952691910e-02 5.54 -2.836515284e-02 -2.836515284e-02 5.56 -2.725725941e-02 -2.725725941e-02 5.58 -2.619888858e-02 -2.619888858e-02 5.60 -2.518584984e-02 -2.518584984e-02 5.62 -2.421414000e-02 -2.421414000e-02 5.64 -2.327996566e-02 -2.327996566e-02 5.66 -2.237975855e-02 -2.237975855e-02 5.68 -2.151018626e-02 -2.151018626e-02 5.70 -2.066815903e-02 -2.066815903e-02 5.72 -1.985083360e-02 -1.985083360e-02 5.74 -1.905561531e-02 -1.905561531e-02 5.76 -1.828015954e-02 -1.828015954e-02 5.78 -1.752237314e-02 -1.752237314e-02 5.80 -1.678041658e-02 -1.678041658e-02 5.82 -1.605270712e-02 -1.605270712e-02 5.84 -1.533792278e-02 -1.533792278e-02 5.86 -1.463500711e-02 -1.463500711e-02 5.88 -1.394317390e-02 -1.394317390e-02 5.90 -1.326191108e-02 -1.326191108e-02 5.92 -1.259098267e-02 -1.259098267e-02 5.94 -1.193042026e-02 -1.193042026e-02 5.96 -1.128049084e-02 -1.128049084e-02 5.98 -1.064176277e-02 -1.064176277e-02 6.00 -1.001505109e-02 -1.001505109e-02