# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2023--Liang-A-Goodelman-D-C-Hodge-A-M-et-al--Fe-Ni-Cr-Co-Ti
# implementation = 2023--Liang-A--Fe-Ni-Cr-Co-Ti--LAMMPS--ipr1
# composition = Cr2Ni
# 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 2024-03-01

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 -3.957699749e+02 
0.92 -3.676644082e+02 
0.94 -3.418572593e+02 
0.96 -3.180523862e+02 
0.98 -2.961720817e+02 
1.00 -2.760958754e+02 
1.02 -2.575301607e+02 
1.04 -2.402225871e+02 
1.06 -2.241011217e+02 
1.08 -2.092374790e+02 
1.10 -1.955540486e+02 
1.12 -1.828658868e+02 
1.14 -1.710471223e+02 
1.16 -1.599995157e+02 
1.18 -1.497266777e+02 
1.20 -1.402927556e+02 
1.22 -1.316960095e+02 
1.24 -1.238537444e+02 
1.26 -1.166251911e+02 
1.28 -1.098807708e+02 
1.30 -1.035079869e+02 
1.32 -9.743585289e+01 
1.34 -9.161006776e+01 
1.36 -8.598846347e+01 
1.38 -8.054913058e+01 
1.40 -7.527443586e+01 
1.42 -7.010570540e+01 
1.44 -6.497335277e+01 
1.46 -5.983537017e+01 
1.48 -5.467422133e+01 
1.50 -4.948088653e+01 
1.52 -4.426086943e+01 
1.54 -3.903147657e+01 
1.56 -3.381471274e+01 
1.58 -2.863104498e+01 
1.60 -2.350919455e+01 
1.62 -1.849511072e+01 
1.64 -1.364781011e+01 
1.66 -9.277732918e+00 
1.68 -6.122415170e+00 
1.70 -3.966849521e+00 
1.72 -2.540369421e+00 
1.74 -1.631397901e+00 
1.76 -1.079455218e+00 
1.78 -7.627848425e-01 
1.80 -5.907616209e-01 
1.82 -4.995965212e-01 
1.84 -4.528319084e-01 
1.86 -4.571512236e-01 
1.88 -5.201304598e-01 
1.90 -6.351983289e-01 
1.92 -7.927560650e-01 
1.94 -9.794959377e-01 
1.96 -1.181945808e+00 
1.98 -1.391305735e+00 
2.00 -1.601265940e+00 
2.02 -1.807329415e+00 
2.04 -2.006774695e+00 
2.06 -2.198379970e+00 
2.08 -2.381617334e+00 
2.10 -2.555831341e+00 
2.12 -2.720795417e+00 
2.14 -2.875922273e+00 
2.16 -3.019966965e+00 
2.18 -3.151081336e+00 
2.20 -3.266239817e+00 
2.22 -3.363405117e+00 
2.24 -3.443044851e+00 
2.26 -3.506388250e+00 
2.28 -3.554900207e+00 
2.30 -3.590304294e+00 
2.32 -3.614589897e+00 
2.34 -3.629463751e+00 
2.36 -3.636315844e+00 
2.38 -3.636264150e+00 
2.40 -3.630044422e+00 
2.42 -3.618256841e+00 
2.44 -3.601566822e+00 
2.46 -3.580685034e+00 
2.48 -3.556417689e+00 
2.50 -3.529569871e+00 
2.52 -3.500310585e+00 
2.54 -3.468368953e+00 
2.56 -3.433383431e+00 
2.58 -3.395064318e+00 
2.60 -3.353436872e+00 
2.62 -3.308639309e+00 
2.64 -3.260838224e+00 
2.66 -3.210053085e+00 
2.68 -3.156038429e+00 
2.70 -3.098561244e+00 
2.72 -3.037470149e+00 
2.74 -2.972701909e+00 
2.76 -2.904309698e+00 
2.78 -2.832534395e+00 
2.80 -2.757864737e+00 
2.82 -2.680886254e+00 
2.84 -2.602109627e+00 
2.86 -2.521852334e+00 
2.88 -2.440270167e+00 
2.90 -2.357620642e+00 
2.92 -2.274297225e+00 
2.94 -2.190511385e+00 
2.96 -2.106378021e+00 
2.98 -2.022099895e+00 
3.00 -1.937982921e+00 
3.02 -1.854416109e+00 
3.04 -1.771835204e+00 
3.06 -1.690571282e+00 
3.08 -1.610758750e+00 
3.10 -1.532536682e+00 
3.12 -1.456245714e+00 
3.14 -1.382213500e+00 
3.16 -1.310715923e+00 
3.18 -1.241964025e+00 
3.20 -1.176039058e+00 
3.22 -1.112949457e+00 
3.24 -1.052689345e+00 
3.26 -9.952331872e-01 
3.28 -9.405392382e-01 
3.30 -8.885462956e-01 
3.32 -8.391648379e-01 
3.34 -7.922661976e-01 
3.36 -7.476930217e-01 
3.38 -7.052553174e-01 
3.40 -6.647671397e-01 
3.42 -6.261550661e-01 
3.44 -5.893562694e-01 
3.46 -5.543069355e-01 
3.48 -5.209532323e-01 
3.50 -4.892562083e-01 
3.52 -4.591924682e-01 
3.54 -4.307522958e-01 
3.56 -4.039351859e-01 
3.58 -3.787037742e-01 
3.60 -3.549514718e-01 
3.62 -3.325664302e-01 
3.64 -3.114432643e-01 
3.66 -2.915060843e-01 
3.68 -2.726911459e-01 
3.70 -2.549372780e-01 
3.72 -2.381856835e-01 
3.74 -2.223801449e-01 
3.76 -2.074668605e-01 
3.78 -1.933945158e-01 
3.80 -1.801141375e-01 
3.82 -1.675791708e-01 
3.84 -1.557452269e-01 
3.86 -1.445718930e-01 
3.88 -1.340345799e-01 
3.90 -1.241162195e-01 
3.92 -1.147998529e-01 
3.94 -1.060634816e-01 
3.96 -9.785259751e-02 
3.98 -9.011914734e-02 
4.00 -8.283028455e-02 
4.02 -7.596432831e-02 
4.04 -6.950724557e-02 
4.06 -6.344982531e-02 
4.08 -5.778552454e-02 
4.10 -5.250866226e-02 
4.12 -4.761279580e-02 
4.14 -4.308008497e-02 
4.16 -3.887417587e-02 
4.18 -3.495282775e-02 
4.20 -3.117091224e-02 
4.22 -2.732997043e-02 
4.24 -2.327529084e-02 
4.26 -1.888807924e-02 
4.28 -1.408338185e-02 
4.30 -8.807906769e-03 
4.32 -3.037766349e-03 
4.34  3.223785906e-03 
4.36  9.948986802e-03 
4.38  1.708799354e-02 
4.40  2.457159125e-02 
4.42  3.231394181e-02 
4.44  4.021531354e-02 
4.46  4.816506674e-02 
4.48  5.604429965e-02 
4.50  6.372886105e-02 
4.52  7.109190805e-02 
4.54  7.800959671e-02 
4.56  8.438609581e-02 
4.58  9.014367530e-02 
4.60  9.521751206e-02 
4.62  9.955622111e-02 
4.64  1.031223838e-01 
4.66  1.058920541e-01 
4.68  1.078550691e-01 
4.70  1.090143388e-01 
4.72  1.093853838e-01 
4.74  1.089947414e-01 
4.76  1.078791771e-01 
4.78  1.060951904e-01 
4.80  1.037116357e-01 
4.82  1.007878888e-01 
4.84  9.738469854e-02 
4.86  9.356525190e-02 
4.88  8.939373908e-02 
4.90  8.493487636e-02 
4.92  8.025211353e-02 
4.94  7.540763981e-02 
4.96  7.046090942e-02 
4.98  6.546856004e-02 
5.00  6.048338229e-02 
5.02  5.555424780e-02 
5.04  5.072614591e-02 
5.06  4.604615714e-02 
5.08  4.156047199e-02 
5.10  3.730961153e-02 
5.12  3.332817008e-02 
5.14  2.964411006e-02 
5.16  2.627862450e-02 
5.18  2.324543997e-02 
5.20  2.055063226e-02 
5.22  1.819139669e-02 
5.24  1.615346282e-02 
5.26  1.441560131e-02 
5.28  1.295104461e-02 
5.30  1.172751562e-02 
5.32  1.070804164e-02 
5.34  9.852202558e-03 
5.36  9.118198317e-03 
5.38  8.465374248e-03 
5.40  7.857011027e-03 
5.42  7.262983056e-03 
5.44  6.661872288e-03 
5.46  6.042369235e-03 
5.48  5.403639026e-03 
5.50  4.754768569e-03 
5.52  4.113382021e-03 
5.54  3.497054483e-03 
5.56  2.912785115e-03 
5.58  2.368079011e-03 
5.60  1.871179021e-03 
5.62  1.429576418e-03 
5.64  1.048857000e-03 
5.66  7.321848955e-04 
5.68  4.798200263e-04 
5.70  2.891689879e-04 
5.72  1.548948860e-04 
5.74  6.928360945e-05 
5.76  2.263377409e-05 
5.78  3.651446184e-06 
5.80  6.675689656e-09 
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