# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--In-N # implementation = 2009--Do-E-C--In-N--LAMMPS--ipr1 # composition = In2N # 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 2022-05-24 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 2.514041077e+03 0.80 2.302674170e+03 0.82 2.108667394e+03 0.84 1.930604054e+03 0.86 1.767183606e+03 0.88 1.617212384e+03 0.90 1.479594889e+03 0.92 1.353325676e+03 0.94 1.237481830e+03 0.96 1.131216040e+03 0.98 1.033750227e+03 1.00 9.443697234e+02 1.02 8.624179396e+02 1.04 7.872915084e+02 1.06 7.184358523e+02 1.08 6.553411405e+02 1.10 5.975386053e+02 1.12 5.445971763e+02 1.14 4.961204113e+02 1.16 4.517436862e+02 1.18 4.111316302e+02 1.20 3.739757716e+02 1.22 3.399923845e+02 1.24 3.089205118e+02 1.26 2.805201507e+02 1.28 2.545705866e+02 1.30 2.308688603e+02 1.32 2.092283602e+02 1.34 1.894775254e+02 1.36 1.714586531e+02 1.38 1.550267994e+02 1.40 1.400487683e+02 1.42 1.264021790e+02 1.44 1.139746078e+02 1.46 1.026627964e+02 1.48 9.237192293e+01 1.50 8.301492987e+01 1.52 7.451190474e+01 1.54 6.678950965e+01 1.56 5.978045482e+01 1.58 5.342301443e+01 1.60 4.766057951e+01 1.62 4.244124677e+01 1.64 3.771743921e+01 1.66 3.344555700e+01 1.68 2.958565565e+01 1.70 2.610114967e+01 1.72 2.295853981e+01 1.74 2.012716158e+01 1.76 1.757895414e+01 1.78 1.528824713e+01 1.80 1.323156484e+01 1.82 1.138744567e+01 1.84 9.736276345e+00 1.86 8.260139054e+00 1.88 6.942671130e+00 1.90 5.768935838e+00 1.92 4.725303622e+00 1.94 3.799342944e+00 1.96 2.979719887e+00 1.98 2.256105988e+00 2.00 1.619093427e+00 2.02 1.060117260e+00 2.04 5.713838527e-01 2.06 1.458052850e-01 2.08 -2.230609634e-01 2.10 -5.410673065e-01 2.12 -8.135268344e-01 2.14 -1.045259885e+00 2.16 -1.240636760e+00 2.18 -1.403616912e+00 2.20 -1.537784841e+00 2.22 -1.646383036e+00 2.24 -1.732342112e+00 2.26 -1.798308464e+00 2.28 -1.846669551e+00 2.30 -1.879577079e+00 2.32 -1.898968190e+00 2.34 -1.906584872e+00 2.36 -1.903991699e+00 2.38 -1.892592058e+00 2.40 -1.873642983e+00 2.42 -1.848268699e+00 2.44 -1.817473010e+00 2.46 -1.782150594e+00 2.48 -1.743097324e+00 2.50 -1.701019672e+00 2.52 -1.656543299e+00 2.54 -1.610220873e+00 2.56 -1.562539199e+00 2.58 -1.513925706e+00 2.60 -1.464754361e+00 2.62 -1.415351037e+00 2.64 -1.365998406e+00 2.66 -1.316940375e+00 2.68 -1.268386121e+00 2.70 -1.220513751e+00 2.72 -1.173473620e+00 2.74 -1.127391343e+00 2.76 -1.082370515e+00 2.78 -1.038495182e+00 2.80 -9.958320671e-01 2.82 -9.544325868e-01 2.84 -9.143346680e-01 2.86 -8.755643885e-01 2.88 -8.381374529e-01 2.90 -8.020605217e-01 2.92 -7.673324054e-01 2.94 -7.339451363e-01 2.96 -7.018849288e-01 2.98 -6.711330392e-01 3.00 -6.416665343e-01 3.02 -6.134589758e-01 3.04 -5.864810311e-01 3.06 -5.607010147e-01 3.08 -5.360853690e-01 3.10 -5.125990890e-01 3.12 -4.902060970e-01 3.14 -4.688695716e-01 3.16 -4.485522369e-01 3.18 -4.292166136e-01 3.20 -4.108252379e-01 3.22 -3.933408511e-01 3.24 -3.767265614e-01 3.26 -3.609459832e-01 3.28 -3.459633542e-01 3.30 -3.317436338e-01 3.32 -3.182525849e-01 3.34 -3.054568401e-01 3.36 -2.933239551e-01 3.38 -2.818220271e-01 3.40 -2.681828293e-01 3.42 -2.264277406e-01 3.44 -1.014022042e-01 3.46 9.345713380e-02 3.48 1.102462876e-01 3.50 1.135416656e-01 3.52 1.163960185e-01 3.54 1.188384996e-01 3.56 1.208968105e-01 3.58 1.225972497e-01 3.60 1.239647605e-01 3.62 1.250229803e-01 3.64 1.257942893e-01 3.66 1.262998596e-01 3.68 1.265597032e-01 3.70 1.265927199e-01 3.72 1.264167444e-01 3.74 1.260485922e-01 3.76 1.255041053e-01 3.78 1.247981954e-01 3.80 1.239448875e-01 3.82 1.229573614e-01 3.84 1.218479921e-01 3.86 1.206283891e-01 3.88 1.193094338e-01 3.90 1.179013166e-01 3.92 1.150326555e-01 3.94 9.398005267e-02 3.96 2.345490686e-02 3.98 -6.656144703e-02 4.00 -1.504300288e-22 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00