# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2009--Do-E-C-Shin-Y-H-Lee-B-J--Ga-N
# implementation = 2009--Do-E-C--Ga-N--LAMMPS--ipr1
# composition = Ga2N
# 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  5.595009465e+02 
0.80  5.182568335e+02 
0.82  4.797840146e+02 
0.84  4.438923637e+02 
0.86  4.104123223e+02 
0.88  3.791912887e+02 
0.90  3.500904734e+02 
0.92  3.229822653e+02 
0.94  2.977481056e+02 
0.96  2.742768387e+02 
0.98  2.524634816e+02 
1.00  2.322083456e+02 
1.02  2.134164380e+02 
1.04  1.959970762e+02 
1.06  1.798636536e+02 
1.08  1.649335059e+02 
1.10  1.511278388e+02 
1.12  1.383716856e+02 
1.14  1.265938750e+02 
1.16  1.157269933e+02 
1.18  1.057073342e+02 
1.20  9.647483130e+01 
1.22  8.797297253e+01 
1.24  8.014869776e+01 
1.26  7.295228140e+01 
1.28  6.633720298e+01 
1.30  6.026000847e+01 
1.32  5.468016565e+01 
1.34  4.955991553e+01 
1.36  4.486412305e+01 
1.38  4.056012793e+01 
1.40  3.661759855e+01 
1.42  3.300838895e+01 
1.44  2.970640081e+01 
1.46  2.668745066e+01 
1.48  2.392914295e+01 
1.50  2.141074939e+01 
1.52  1.911309443e+01 
1.54  1.701844734e+01 
1.56  1.511042032e+01 
1.58  1.337387307e+01 
1.60  1.179482307e+01 
1.62  1.036036185e+01 
1.64  9.058576631e+00 
1.66  7.878477275e+00 
1.68  6.809928223e+00 
1.70  5.843585105e+00 
1.72  4.970835805e+00 
1.74  4.183745652e+00 
1.76  3.475006570e+00 
1.78  2.837889798e+00 
1.80  2.266202110e+00 
1.82  1.754245129e+00 
1.84  1.296777684e+00 
1.86  8.889808659e-01 
1.88  5.264257017e-01 
1.90  2.050431850e-01 
1.92 -7.890345845e-02 
1.94 -3.288444421e-01 
1.96 -5.479271901e-01 
1.98 -7.390383098e-01 
2.00 -9.048239454e-01 
2.02 -1.047708574e+00 
2.04 -1.169912413e+00 
2.06 -1.273467493e+00 
2.08 -1.360232529e+00 
2.10 -1.431906658e+00 
2.12 -1.490042133e+00 
2.14 -1.536056056e+00 
2.16 -1.571241204e+00 
2.18 -1.596776046e+00 
2.20 -1.613733968e+00 
2.22 -1.623091812e+00 
2.24 -1.625737740e+00 
2.26 -1.622478502e+00 
2.28 -1.614046133e+00 
2.30 -1.601104136e+00 
2.32 -1.584253182e+00 
2.34 -1.564036359e+00 
2.36 -1.540944023e+00 
2.38 -1.515418250e+00 
2.40 -1.487856957e+00 
2.42 -1.458617678e+00 
2.44 -1.428021056e+00 
2.46 -1.396354045e+00 
2.48 -1.363872864e+00 
2.50 -1.330805711e+00 
2.52 -1.297355255e+00 
2.54 -1.263700934e+00 
2.56 -1.230001059e+00 
2.58 -1.196394747e+00 
2.60 -1.163003701e+00 
2.62 -1.129933838e+00 
2.64 -1.097276782e+00 
2.66 -1.065111233e+00 
2.68 -1.033504226e+00 
2.70 -1.002512274e+00 
2.72 -9.721824271e-01 
2.74 -9.425532255e-01 
2.76 -9.136555845e-01 
2.78 -8.855135947e-01 
2.80 -8.581452546e-01 
2.82 -8.315631393e-01 
2.84 -8.057750083e-01 
2.86 -7.807843605e-01 
2.88 -7.565909377e-01 
2.90 -7.331911829e-01 
2.92 -7.105786560e-01 
2.94 -6.887444108e-01 
2.96 -6.676773361e-01 
2.98 -6.473644649e-01 
3.00 -6.277912528e-01 
3.02 -6.089418298e-01 
3.04 -5.907992266e-01 
3.06 -5.733455777e-01 
3.08 -5.565623045e-01 
3.10 -5.404302781e-01 
3.12 -5.249299652e-01 
3.14 -5.100415581e-01 
3.16 -4.957450900e-01 
3.18 -4.820205369e-01 
3.20 -4.688479078e-01 
3.22 -4.562073235e-01 
3.24 -4.440790857e-01 
3.26 -4.324437375e-01 
3.28 -4.212821146e-01 
3.30 -4.105753903e-01 
3.32 -4.003051127e-01 
3.34 -3.904532372e-01 
3.36 -3.810021522e-01 
3.38 -3.719342509e-01 
3.40 -3.603112803e-01 
3.42 -3.185738696e-01 
3.44 -1.916091306e-01 
3.46 -4.012609075e-03 
3.48  1.185094187e-02 
3.50  1.540363060e-02 
3.52  1.866294485e-02 
3.54  2.164560232e-02 
3.56  2.436756068e-02 
3.58  2.684404205e-02 
3.60  2.908955733e-02 
3.62  3.111793066e-02 
3.64  3.294232363e-02 
3.66  3.457525933e-02 
3.68  3.602864609e-02 
3.70  3.731380085e-02 
3.72  3.844147223e-02 
3.74  3.942186299e-02 
3.76  4.026465220e-02 
3.78  4.097901672e-02 
3.80  4.157365228e-02 
3.82  4.205679390e-02 
3.84  4.243623586e-02 
3.86  4.271935091e-02 
3.88  4.291310910e-02 
3.90  4.302409585e-02 
3.92  4.225351989e-02 
3.94  3.090013319e-02 
3.96 -8.536233335e-03 
3.98 -5.439087243e-02 
4.00 -1.091676941e-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