# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Ta-Cu # implementation = EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000 # composition = Cu2Ta # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 nan 1.46 nan 1.48 nan 1.50 nan 1.52 nan 1.54 nan 1.56 nan 1.58 nan 1.60 nan 1.62 nan 1.64 nan 1.66 nan 1.68 nan 1.70 nan 1.72 nan 1.74 1.304848934e+01 1.76 1.147673423e+01 1.78 1.003254298e+01 1.80 8.706947589e+00 1.82 7.491521051e+00 1.84 6.378382899e+00 1.86 5.360162004e+00 1.88 4.429920673e+00 1.90 3.581052185e+00 1.92 2.807186459e+00 1.94 2.102117171e+00 1.96 1.459772141e+00 1.98 8.742902437e-01 2.00 3.401332359e-01 2.02 -1.477720581e-01 2.04 -5.938835898e-01 2.06 -1.001930833e+00 2.08 -1.374947087e+00 2.10 -1.715306477e+00 2.12 -2.024886175e+00 2.14 -2.305223765e+00 2.16 -2.557658996e+00 2.18 -2.783289107e+00 2.20 -2.983445998e+00 2.22 -3.159736477e+00 2.24 -3.313844828e+00 2.26 -3.447558320e+00 2.28 -3.562780343e+00 2.30 -3.661013782e+00 2.32 -3.743202088e+00 2.34 -3.810577487e+00 2.36 -3.864683286e+00 2.38 -3.907269982e+00 2.40 -3.940135218e+00 2.42 -3.964966178e+00 2.44 -3.983212261e+00 2.46 -3.996026518e+00 2.48 -4.004248235e+00 2.50 -4.008444169e+00 2.52 -4.008965925e+00 2.54 -4.006014224e+00 2.56 -3.999699628e+00 2.58 -3.990091985e+00 2.60 -3.977357618e+00 2.62 -3.962053191e+00 2.64 -3.943925530e+00 2.66 -3.922706974e+00 2.68 -3.898262377e+00 2.70 -3.870578150e+00 2.72 -3.839742228e+00 2.74 -3.805918811e+00 2.76 -3.769315901e+00 2.78 -3.730170518e+00 2.80 -3.688757626e+00 2.82 -3.645322557e+00 2.84 -3.600064180e+00 2.86 -3.553148228e+00 2.88 -3.504713503e+00 2.90 -3.454888999e+00 2.92 -3.403798959e+00 2.94 -3.351575697e+00 2.96 -3.298356970e+00 2.98 -3.244284563e+00 3.00 -3.189509589e+00 3.02 -3.134178242e+00 3.04 -3.078433178e+00 3.06 -3.022406742e+00 3.08 -2.966219266e+00 3.10 -2.909973424e+00 3.12 -2.853751725e+00 3.14 -2.797617853e+00 3.16 -2.741610564e+00 3.18 -2.685750458e+00 3.20 -2.630032561e+00 3.22 -2.574437712e+00 3.24 -2.518927825e+00 3.26 -2.463453524e+00 3.28 -2.407958508e+00 3.30 -2.352383583e+00 3.32 -2.296668498e+00 3.34 -2.240761957e+00 3.36 -2.184616562e+00 3.38 -2.128198555e+00 3.40 -2.071480423e+00 3.42 -2.014445649e+00 3.44 -1.957085399e+00 3.46 -1.899395587e+00 3.48 -1.841374240e+00 3.50 -1.783021221e+00 3.52 -1.724336211e+00 3.54 -1.665317019e+00 3.56 -1.605964163e+00 3.58 -1.546279652e+00 3.60 -1.486269786e+00 3.62 -1.425952331e+00 3.64 -1.365359029e+00 3.66 -1.304542177e+00 3.68 -1.243578958e+00 3.70 -1.182580628e+00 3.72 -1.121689404e+00 3.74 -1.061088917e+00 3.76 -1.000996754e+00 3.78 -9.416676542e-01 3.80 -8.833826858e-01 3.82 -8.264410136e-01 3.84 -7.711507424e-01 3.86 -7.178100331e-01 3.88 -6.666940253e-01 3.90 -6.180422237e-01 3.92 -5.720462111e-01 3.94 -5.288389764e-01 3.96 -4.884985871e-01 3.98 -4.510389524e-01 4.00 -4.164212272e-01 4.02 -3.845582138e-01 4.04 -3.553232163e-01 4.06 -3.285587484e-01 4.08 -3.040866454e-01 4.10 -2.817171882e-01 4.12 -2.612555684e-01 4.14 -2.425079014e-01 4.16 -2.252865967e-01 4.18 -2.094139660e-01 4.20 -1.947242297e-01 4.22 -1.810668547e-01 4.24 -1.683062812e-01 4.26 -1.563235922e-01 4.28 -1.450166340e-01 4.30 -1.343006780e-01 4.32 -1.241071114e-01 4.34 -1.143848142e-01 4.36 -1.050974769e-01 4.38 -9.622385784e-02 4.40 -8.775551004e-02 4.42 -7.969343722e-02 4.44 -7.204691638e-02 4.46 -6.482911427e-02 4.48 -5.805546724e-02 4.50 -5.173970960e-02 4.52 -4.589215961e-02 4.54 -4.051741331e-02 4.56 -3.561407300e-02 4.58 -3.117363019e-02 4.60 -2.718112267e-02 4.62 -2.361587394e-02 4.64 -2.045257365e-02 4.66 -1.766243044e-02 4.68 -1.521468078e-02 4.70 -1.307739813e-02 4.72 -1.121910588e-02 4.74 -9.609813602e-03 4.76 -8.220847453e-03 4.78 -7.025495422e-03 4.80 -5.999295924e-03 4.82 -5.120071278e-03 4.84 -4.368054684e-03 4.86 -3.725683435e-03 4.88 -3.177555731e-03 4.90 -2.710203866e-03 4.92 -2.311965950e-03 4.94 -1.972750602e-03 4.96 -1.683864906e-03 4.98 -1.437863060e-03 5.00 -1.228367260e-03 5.02 -1.049925406e-03 5.04 -8.979035708e-04 5.06 -7.683433565e-04 5.08 -6.578818525e-04 5.10 -5.636582436e-04 5.12 -4.832473878e-04 5.14 -4.145844145e-04 5.16 -3.559197356e-04 5.18 -3.057672602e-04 5.20 -2.628641127e-04 5.22 -2.261383097e-04 5.24 -1.946790212e-04 5.26 -1.677122399e-04 5.28 -1.445816240e-04 5.30 -1.247262260e-04 5.32 -1.076709693e-04 5.34 -9.301008862e-05 5.36 -8.039895401e-05 5.38 -6.954299835e-05 5.40 -6.019097974e-05 5.42 -5.212898804e-05 5.44 -4.517443286e-05 5.46 -3.917071624e-05 5.48 -3.398417923e-05 5.50 -2.950031482e-05 5.52 -2.562144086e-05 5.54 -2.220399814e-05 5.56 -1.930301696e-05 5.58 -1.678811450e-05 5.60 -1.460656795e-05 5.62 -1.271285049e-05 5.64 -1.106791362e-05 5.66 -9.638096232e-06 5.68 -8.394529527e-06 5.70 -7.312193887e-06 5.72 -6.369574214e-06 5.74 -5.548119812e-06 5.76 -4.831850109e-06 5.78 -4.206870553e-06 5.80 -3.661212330e-06 5.82 -3.184508538e-06 5.84 -2.767799548e-06 5.86 -2.403334128e-06 5.88 -2.084359302e-06 5.90 -1.805027152e-06 5.92 -1.560279423e-06 5.94 -1.345707063e-06 5.96 -1.157483036e-06 5.98 -9.922777023e-07 6.00 -8.471956956e-07