# 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 = Ag2W # 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 4.433479887e+02 1.16 4.091013948e+02 1.18 3.776527662e+02 1.20 3.487428715e+02 1.22 3.221365301e+02 1.24 2.976221870e+02 1.26 2.750122454e+02 1.28 2.541424436e+02 1.30 2.348690152e+02 1.32 2.170644942e+02 1.34 2.006137752e+02 1.36 1.854112347e+02 1.38 1.713588611e+02 1.40 1.583652317e+02 1.42 1.463451860e+02 1.44 1.352197992e+02 1.46 1.249163192e+02 1.48 1.153680857e+02 1.50 1.065144978e+02 1.52 9.830088493e+01 1.54 9.067813630e+01 1.56 8.360214567e+01 1.58 7.703340356e+01 1.60 7.093677808e+01 1.62 6.527928115e+01 1.64 6.003018557e+01 1.66 5.516066040e+01 1.68 5.064509320e+01 1.70 4.646112469e+01 1.72 4.258492694e+01 1.74 3.899430278e+01 1.76 3.566866106e+01 1.78 3.258884919e+01 1.80 2.973703827e+01 1.82 2.709669040e+01 1.84 2.465256763e+01 1.86 2.239071972e+01 1.88 2.029840864e+01 1.90 1.836396223e+01 1.92 1.657658216e+01 1.94 1.492615471e+01 1.96 1.340311265e+01 1.98 1.199836844e+01 2.00 1.070330088e+01 2.02 9.509756951e+00 2.04 8.410035830e+00 2.06 7.396845751e+00 2.08 6.463248913e+00 2.10 5.602624008e+00 2.12 4.808671599e+00 2.14 4.075597494e+00 2.16 3.397925680e+00 2.18 2.770424226e+00 2.20 2.188572688e+00 2.22 1.648561591e+00 2.24 1.147232066e+00 2.26 6.822974715e-01 2.28 2.522467354e-01 2.30 -1.444230039e-01 2.32 -5.092428436e-01 2.34 -8.437507391e-01 2.36 -1.149480948e+00 2.38 -1.427958367e+00 2.40 -1.680694168e+00 2.42 -1.909181135e+00 2.44 -2.114888480e+00 2.46 -2.299256616e+00 2.48 -2.463692423e+00 2.50 -2.609565418e+00 2.52 -2.738205231e+00 2.54 -2.850900855e+00 2.56 -2.948901671e+00 2.58 -3.033418893e+00 2.60 -3.105624430e+00 2.62 -3.166643737e+00 2.64 -3.217541401e+00 2.66 -3.259302075e+00 2.68 -3.292812733e+00 2.70 -3.318852465e+00 2.72 -3.338093023e+00 2.74 -3.351109140e+00 2.76 -3.358394625e+00 2.78 -3.360379615e+00 2.80 -3.357445546e+00 2.82 -3.350012291e+00 2.84 -3.338597613e+00 2.86 -3.323253453e+00 2.88 -3.304012885e+00 2.90 -3.280933636e+00 2.92 -3.254091926e+00 2.94 -3.223578130e+00 2.96 -3.189494370e+00 2.98 -3.151955335e+00 3.00 -3.111105224e+00 3.02 -3.067109313e+00 3.04 -3.020139463e+00 3.06 -2.970371749e+00 3.08 -2.917981715e+00 3.10 -2.863137592e+00 3.12 -2.805992760e+00 3.14 -2.746679296e+00 3.16 -2.685304209e+00 3.18 -2.621949364e+00 3.20 -2.556675173e+00 3.22 -2.489527455e+00 3.24 -2.420546544e+00 3.26 -2.349777675e+00 3.28 -2.277281882e+00 3.30 -2.203146763e+00 3.32 -2.127496531e+00 3.34 -2.050500739e+00 3.36 -1.972380919e+00 3.38 -1.893414326e+00 3.40 -1.813933972e+00 3.42 -1.734324332e+00 3.44 -1.655012431e+00 3.46 -1.576454576e+00 3.48 -1.499119524e+00 3.50 -1.423469450e+00 3.52 -1.349940450e+00 3.54 -1.278924438e+00 3.56 -1.210754142e+00 3.58 -1.145692447e+00 3.60 -1.083926767e+00 3.62 -1.025568447e+00 3.64 -9.706566498e-01 3.66 -9.191657641e-01 3.68 -8.710151697e-01 3.70 -8.260801943e-01 3.72 -7.842032267e-01 3.74 -7.452041837e-01 3.76 -7.088897867e-01 3.78 -6.750613501e-01 3.80 -6.435209843e-01 3.82 -6.140762727e-01 3.84 -5.865435735e-01 3.86 -5.607501556e-01 3.88 -5.365353895e-01 3.90 -5.137512106e-01 3.92 -4.922620498e-01 3.94 -4.719444014e-01 3.96 -4.526861517e-01 3.98 -4.343857955e-01 4.00 -4.169516081e-01 4.02 -4.003008419e-01 4.04 -3.843589929e-01 4.06 -3.690591680e-01 4.08 -3.543415783e-01 4.10 -3.401531645e-01 4.12 -3.264473683e-01 4.14 -3.131840120e-01 4.16 -3.003292990e-01 4.18 -2.878558670e-01 4.20 -2.757428510e-01 4.22 -2.639758838e-01 4.24 -2.525469554e-01 4.26 -2.414540539e-01 4.28 -2.307005223e-01 4.30 -2.202940998e-01 4.32 -2.102456547e-01 4.34 -2.005676730e-01 4.36 -1.912726147e-01 4.38 -1.823712822e-01 4.40 -1.738713640e-01 4.42 -1.657762987e-01 4.44 -1.580845519e-01 4.46 -1.507893087e-01 4.48 -1.438780619e-01 4.50 -1.373346603e-01 4.52 -1.311393380e-01 4.54 -1.252692558e-01 4.56 -1.196995167e-01 4.58 -1.144041145e-01 4.60 -1.093567616e-01 4.62 -1.045315708e-01 4.64 -9.990358882e-02 4.66 -9.544919734e-02 4.68 -9.114640462e-02 4.70 -8.697505604e-02 4.72 -8.291699031e-02 4.74 -7.895616466e-02 4.76 -7.507876654e-02 4.78 -7.127332267e-02 4.80 -6.753080769e-02 4.82 -6.384475770e-02 4.84 -6.021135427e-02 4.86 -5.662949467e-02 4.88 -5.310080190e-02 4.90 -4.962956154e-02 4.92 -4.622256184e-02 4.94 -4.288882042e-02 4.96 -3.963919007e-02 4.98 -3.648584909e-02 5.00 -3.344169574e-02 5.02 -3.051968106e-02 5.04 -2.773212503e-02 5.06 -2.509006756e-02 5.08 -2.260270456e-02 5.10 -2.027695128e-02 5.12 -1.811716128e-02 5.14 -1.612501430e-02 5.16 -1.429956529e-02 5.18 -1.263743406e-02 5.20 -1.113300443e-02 5.22 -9.778840416e-03 5.24 -8.566465939e-03 5.26 -7.486396675e-03 5.28 -6.528527893e-03 5.30 -5.682493935e-03 5.32 -4.937969293e-03 5.34 -4.284907903e-03 5.36 -3.713722555e-03 5.38 -3.215409869e-03 5.40 -2.781628367e-03 5.42 -2.404737903e-03 5.44 -2.077808693e-03 5.46 -1.794607477e-03 5.48 -1.549567396e-03 5.50 -1.337747056e-03 5.52 -1.154783173e-03 5.54 -9.968401666e-04 5.56 -8.605592319e-04 5.58 -7.430086601e-04 5.60 -6.416366210e-04 5.62 -5.542271494e-04 5.64 -4.788597402e-04 5.66 -4.138727040e-04 5.68 -3.578302593e-04 5.70 -3.094932155e-04 5.72 -2.677930304e-04 5.74 -2.318089765e-04 5.76 -2.007481379e-04 5.78 -1.739279536e-04 5.80 -1.507610308e-04 5.82 -1.307419686e-04 5.84 -1.134359529e-04 5.86 -9.846889950e-05 5.88 -8.551895167e-05 5.90 -7.430915269e-05 5.92 -6.460113866e-05 5.94 -5.618971347e-05 5.96 -4.889818558e-05 5.98 -4.257436159e-05 6.00 -3.708710523e-05