# 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 = AlW2 # 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 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 3.467273515e+02 1.16 3.183336785e+02 1.18 2.924032491e+02 1.20 2.687182060e+02 1.22 2.470709560e+02 1.24 2.272634726e+02 1.26 2.091133566e+02 1.28 1.924590836e+02 1.30 1.771591925e+02 1.32 1.630873853e+02 1.34 1.501284805e+02 1.36 1.381778576e+02 1.38 1.271430642e+02 1.40 1.169446121e+02 1.42 1.075144181e+02 1.44 9.879254764e+01 1.46 9.072407930e+01 1.48 8.325763013e+01 1.50 7.634571608e+01 1.52 6.994573288e+01 1.54 6.402025318e+01 1.56 5.853637234e+01 1.58 5.346457173e+01 1.60 4.877753632e+01 1.62 4.444912947e+01 1.64 4.045363861e+01 1.66 3.676542202e+01 1.68 3.335906380e+01 1.70 3.021052079e+01 1.72 2.729846273e+01 1.74 2.460211986e+01 1.76 2.210310015e+01 1.78 1.978562245e+01 1.80 1.763644785e+01 1.82 1.564475899e+01 1.84 1.380395178e+01 1.86 1.210685220e+01 1.88 1.054599932e+01 1.90 9.114270880e+00 1.92 7.804566346e+00 1.94 6.609593635e+00 1.96 5.521766291e+00 1.98 4.533220502e+00 2.00 3.635943150e+00 2.02 2.821961722e+00 2.04 2.083515249e+00 2.06 1.413143224e+00 2.08 8.036943798e-01 2.10 2.483160906e-01 2.12 -2.595077329e-01 2.14 -7.258432326e-01 2.16 -1.156142472e+00 2.18 -1.555084907e+00 2.20 -1.926480561e+00 2.22 -2.273266290e+00 2.24 -2.597592905e+00 2.26 -2.900968544e+00 2.28 -3.184192235e+00 2.30 -3.448149678e+00 2.32 -3.693702559e+00 2.34 -3.921547744e+00 2.36 -4.132300348e+00 2.38 -4.326542659e+00 2.40 -4.504849262e+00 2.42 -4.667731648e+00 2.44 -4.815147487e+00 2.46 -4.946900604e+00 2.48 -5.062958509e+00 2.50 -5.163413736e+00 2.52 -5.248461967e+00 2.54 -5.318396978e+00 2.56 -5.373615942e+00 2.58 -5.414624788e+00 2.60 -5.442031659e+00 2.62 -5.456519686e+00 2.64 -5.458799157e+00 2.66 -5.449549578e+00 2.68 -5.429368800e+00 2.70 -5.398743918e+00 2.72 -5.358049801e+00 2.74 -5.307571000e+00 2.76 -5.247537083e+00 2.78 -5.178161467e+00 2.80 -5.099677494e+00 2.82 -5.012369622e+00 2.84 -4.916600440e+00 2.86 -4.812834832e+00 2.88 -4.701665953e+00 2.90 -4.584547005e+00 2.92 -4.462616849e+00 2.94 -4.336557493e+00 2.96 -4.207247426e+00 2.98 -4.075726394e+00 3.00 -3.943145308e+00 3.02 -3.810703739e+00 3.04 -3.679580817e+00 3.06 -3.550882302e+00 3.08 -3.425576946e+00 3.10 -3.304425159e+00 3.12 -3.187948238e+00 3.14 -3.076420167e+00 3.16 -2.969879744e+00 3.18 -2.868159637e+00 3.20 -2.770926707e+00 3.22 -2.677727891e+00 3.24 -2.588036509e+00 3.26 -2.501295328e+00 3.28 -2.416954236e+00 3.30 -2.334501721e+00 3.32 -2.253490149e+00 3.34 -2.173555224e+00 3.36 -2.094429955e+00 3.38 -2.015953272e+00 3.40 -1.938073117e+00 3.42 -1.860843757e+00 3.44 -1.784417070e+00 3.46 -1.709028011e+00 3.48 -1.634974893e+00 3.50 -1.562595868e+00 3.52 -1.492243497e+00 3.54 -1.424259678e+00 3.56 -1.358953157e+00 3.58 -1.296581507e+00 3.60 -1.237338796e+00 3.62 -1.181349373e+00 3.64 -1.128667454e+00 3.66 -1.079281583e+00 3.68 -1.033122672e+00 3.70 -9.900742385e-01 3.72 -9.499835385e-01 3.74 -9.126725246e-01 3.76 -8.779478665e-01 3.78 -8.456095621e-01 3.80 -8.154579271e-01 3.82 -7.872989487e-01 3.84 -7.609481241e-01 3.86 -7.362329825e-01 3.88 -7.129945226e-01 3.90 -6.910877977e-01 3.92 -6.703818655e-01 3.94 -6.507592870e-01 3.96 -6.321153268e-01 3.98 -6.143569877e-01 4.00 -5.974019529e-01 4.02 -5.811775020e-01 4.04 -5.656194525e-01 4.06 -5.506711925e-01 4.08 -5.362827645e-01 4.10 -5.224098541e-01 4.12 -5.090131830e-01 4.14 -4.960583345e-01 4.16 -4.835145421e-01 4.18 -4.713541816e-01 4.20 -4.595523514e-01 4.22 -4.480864830e-01 4.24 -4.369359873e-01 4.26 -4.260819330e-01 4.28 -4.155067586e-01 4.30 -4.051940115e-01 4.32 -3.951281136e-01 4.34 -3.852941494e-01 4.36 -3.756776729e-01 4.38 -3.662645320e-01 4.40 -3.570407080e-01 4.42 -3.479921688e-01 4.44 -3.391047351e-01 4.46 -3.303639602e-01 4.48 -3.217550233e-01 4.50 -3.132626404e-01 4.52 -3.048709926e-01 4.54 -2.965636802e-01 4.56 -2.883237050e-01 4.58 -2.801334907e-01 4.60 -2.719749479e-01 4.62 -2.638295968e-01 4.64 -2.556787563e-01 4.66 -2.475038141e-01 4.68 -2.392865872e-01 4.70 -2.310097850e-01 4.72 -2.226575802e-01 4.74 -2.142162883e-01 4.76 -2.056751472e-01 4.78 -1.970271765e-01 4.80 -1.882700740e-01 4.82 -1.794071422e-01 4.84 -1.704480590e-01 4.86 -1.614095684e-01 4.88 -1.523158762e-01 4.90 -1.431987082e-01 4.92 -1.340969462e-01 4.94 -1.250557921e-01 4.96 -1.161254535e-01 4.98 -1.073593981e-01 5.00 -9.881227649e-02 5.02 -9.053766219e-02 5.04 -8.258578821e-02 5.06 -7.500146742e-02 5.08 -6.782236519e-02 5.10 -6.107775169e-02 5.12 -5.478780418e-02 5.14 -4.896346761e-02 5.16 -4.360682579e-02 5.18 -3.871188938e-02 5.20 -3.426568644e-02 5.22 -3.024953248e-02 5.24 -2.664036151e-02 5.26 -2.341198657e-02 5.28 -2.053589105e-02 5.30 -1.798337835e-02 5.32 -1.572584647e-02 5.34 -1.373524744e-02 5.36 -1.198465050e-02 5.38 -1.044863538e-02 5.40 -9.103542267e-03 5.42 -7.927605487e-03 5.44 -6.900996855e-03 5.46 -6.005801444e-03 5.48 -5.225945343e-03 5.50 -4.547091328e-03 5.52 -3.956515056e-03 5.54 -3.442971439e-03 5.56 -2.996558318e-03 5.58 -2.608582527e-03 5.60 -2.271431797e-03 5.62 -1.978454646e-03 5.64 -1.723849526e-03 5.66 -1.502563710e-03 5.68 -1.310201997e-03 5.70 -1.142944904e-03 5.72 -9.974758587e-04 5.74 -8.709167341e-04 5.76 -7.607710260e-04 5.78 -6.648739552e-04 5.80 -5.813487831e-04 5.82 -5.085686627e-04 5.84 -4.451233970e-04 5.86 -3.897905213e-04 5.88 -3.415101848e-04 5.90 -2.993633571e-04 5.92 -2.625529373e-04 5.94 -2.303873908e-04 5.96 -2.022665844e-04 5.98 -1.776695286e-04 6.00 -1.561437752e-04