# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom).
# potential = 2015--Purja-Pun-G-P-Yamakov-V-Mishin-Y--Ni-Al-Co
# implementation = 2015--Purja-Pun-G-P--Ni-Al-Co--LAMMPS--ipr2
# composition = AlNi2
# 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  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  6.136572523e+04 
1.00  5.602802583e+04 
1.02  5.091068129e+04 
1.04  4.615746532e+04 
1.06  4.175011643e+04 
1.08  3.767174469e+04 
1.10  3.390581432e+04 
1.12  3.043608894e+04 
1.14  2.724657061e+04 
1.16  2.432164090e+04 
1.18  2.164620702e+04 
1.20  1.920464370e+04 
1.22  1.697226701e+04 
1.24  1.493620825e+04 
1.26  1.308669815e+04 
1.28  1.141347030e+04 
1.30  9.906050960e+03 
1.32  8.553883228e+03 
1.34  7.346500773e+03 
1.36  6.273644899e+03 
1.38  5.325250858e+03 
1.40  4.491465184e+03 
1.42  3.762721057e+03 
1.44  3.129714978e+03 
1.46  2.583398641e+03 
1.48  2.115171049e+03 
1.50  1.716897751e+03 
1.52  1.380910214e+03 
1.54  1.100007901e+03 
1.56  8.674530791e+02 
1.58  6.769597098e+02 
1.60  5.226937960e+02 
1.62  3.992899243e+02 
1.64  3.018560152e+02 
1.66  2.259626715e+02 
1.68  1.676376222e+02 
1.70  1.233688471e+02 
1.72  9.010749932e+01 
1.74  6.526689535e+01 
1.76  4.671974025e+01 
1.78  3.279530663e+01 
1.80  2.227898656e+01 
1.82  1.439905434e+01 
1.84  8.644482967e+00 
1.86  4.577036401e+00 
1.88  1.811010602e+00 
1.90  1.106504925e-02 
1.92 -1.107874874e+00 
1.94 -1.779496425e+00 
1.96 -2.186017803e+00 
1.98 -2.458392348e+00 
2.00 -2.676243133e+00 
2.02 -2.870498132e+00 
2.04 -3.046848251e+00 
2.06 -3.207663886e+00 
2.08 -3.353843108e+00 
2.10 -3.484064859e+00 
2.12 -3.597238156e+00 
2.14 -3.694847237e+00 
2.16 -3.780157195e+00 
2.18 -3.856026913e+00 
2.20 -3.923427661e+00 
2.22 -3.981714932e+00 
2.24 -4.030181295e+00 
2.26 -4.068853341e+00 
2.28 -4.098413818e+00 
2.30 -4.119541971e+00 
2.32 -4.132811178e+00 
2.34 -4.138780538e+00 
2.36 -4.138008287e+00 
2.38 -4.131052957e+00 
2.40 -4.118451441e+00 
2.42 -4.100731838e+00 
2.44 -4.078420000e+00 
2.46 -4.052039327e+00 
2.48 -4.022092401e+00 
2.50 -3.988947511e+00 
2.52 -3.952925663e+00 
2.54 -3.914331825e+00 
2.56 -3.873467434e+00 
2.58 -3.830646343e+00 
2.60 -3.786201914e+00 
2.62 -3.740463119e+00 
2.64 -3.693706062e+00 
2.66 -3.646106989e+00 
2.68 -3.597692567e+00 
2.70 -3.548309045e+00 
2.72 -3.497631907e+00 
2.74 -3.445256626e+00 
2.76 -3.390914441e+00 
2.78 -3.334769110e+00 
2.80 -3.277642510e+00 
2.82 -3.220913594e+00 
2.84 -3.166012177e+00 
2.86 -3.113796940e+00 
2.88 -3.064305861e+00 
2.90 -3.016995457e+00 
2.92 -2.971125679e+00 
2.94 -2.926039244e+00 
2.96 -2.881267893e+00 
2.98 -2.836571304e+00 
3.00 -2.791844648e+00 
3.02 -2.747004976e+00 
3.04 -2.701990109e+00 
3.06 -2.656764026e+00 
3.08 -2.611312313e+00 
3.10 -2.565631769e+00 
3.12 -2.519710414e+00 
3.14 -2.473518169e+00 
3.16 -2.427007887e+00 
3.18 -2.380125068e+00 
3.20 -2.332819893e+00 
3.22 -2.285032172e+00 
3.24 -2.236715675e+00 
3.26 -2.187855723e+00 
3.28 -2.138468754e+00 
3.30 -2.088597307e+00 
3.32 -2.038297377e+00 
3.34 -1.987624209e+00 
3.36 -1.936644939e+00 
3.38 -1.885441356e+00 
3.40 -1.834109343e+00 
3.42 -1.782758117e+00 
3.44 -1.731509300e+00 
3.46 -1.680495981e+00 
3.48 -1.629861601e+00 
3.50 -1.579758623e+00 
3.52 -1.530334055e+00 
3.54 -1.481685494e+00 
3.56 -1.433898746e+00 
3.58 -1.387060694e+00 
3.60 -1.341259081e+00 
3.62 -1.296584321e+00 
3.64 -1.253115838e+00 
3.66 -1.210914953e+00 
3.68 -1.170019788e+00 
3.70 -1.130444447e+00 
3.72 -1.092182971e+00 
3.74 -1.055216066e+00 
3.76 -1.019518088e+00 
3.78 -9.850624343e-01 
3.80 -9.518246884e-01 
3.82 -9.197836724e-01 
3.84 -8.889206115e-01 
3.86 -8.592157379e-01 
3.88 -8.306512198e-01 
3.90 -8.032108863e-01 
3.92 -7.768762586e-01 
3.94 -7.516264383e-01 
3.96 -7.274381555e-01 
3.98 -7.042858059e-01 
4.00 -6.821414733e-01 
4.02 -6.609749458e-01 
4.04 -6.407537263e-01 
4.06 -6.214430395e-01 
4.08 -6.030058453e-01 
4.10 -5.854028579e-01 
4.12 -5.685925781e-01 
4.14 -5.525313183e-01 
4.16 -5.371732808e-01 
4.18 -5.224706134e-01 
4.20 -5.083735087e-01 
4.22 -4.948303185e-01 
4.24 -4.817894036e-01 
4.26 -4.692038233e-01 
4.28 -4.570312674e-01 
4.30 -4.452454441e-01 
4.32 -4.338247376e-01 
4.34 -4.227485172e-01 
4.36 -4.119974046e-01 
4.38 -4.015536427e-01 
4.40 -3.914013282e-01 
4.42 -3.815266697e-01 
4.44 -3.719184275e-01 
4.46 -3.625683072e-01 
4.48 -3.534713352e-01 
4.50 -3.446257673e-01 
4.52 -3.360316132e-01 
4.54 -3.276889323e-01 
4.56 -3.195968974e-01 
4.58 -3.117550110e-01 
4.60 -3.041632415e-01 
4.62 -2.968219491e-01 
4.64 -2.897319752e-01 
4.66 -2.828948119e-01 
4.68 -2.763123835e-01 
4.70 -2.699868927e-01 
4.72 -2.639201389e-01 
4.74 -2.581072322e-01 
4.76 -2.525394778e-01 
4.78 -2.472079473e-01 
4.80 -2.421035165e-01 
4.82 -2.372168304e-01 
4.84 -2.325383046e-01 
4.86 -2.280580945e-01 
4.88 -2.237660406e-01 
4.90 -2.196515726e-01 
4.92 -2.157036275e-01 
4.94 -2.119105472e-01 
4.96 -2.082599155e-01 
4.98 -2.047383542e-01 
5.00 -2.013312488e-01 
5.02 -1.980242493e-01 
5.04 -1.948084165e-01 
5.06 -1.916745572e-01 
5.08 -1.886109940e-01 
5.10 -1.856030976e-01 
5.12 -1.826328896e-01 
5.14 -1.796787508e-01 
5.16 -1.767153699e-01 
5.18 -1.737140523e-01 
5.20 -1.706436455e-01 
5.22 -1.674721509e-01 
5.24 -1.641693688e-01 
5.26 -1.607104524e-01 
5.28 -1.570801754e-01 
5.30 -1.532773430e-01 
5.32 -1.493179922e-01 
5.34 -1.452364536e-01 
5.36 -1.410829298e-01 
5.38 -1.369180560e-01 
5.40 -1.328048045e-01 
5.42 -1.287992062e-01 
5.44 -1.249423790e-01 
5.46 -1.212552418e-01 
5.48 -1.177372141e-01 
5.50 -1.143680989e-01 
5.52 -1.111135944e-01 
5.54 -1.079311862e-01 
5.56 -1.047751156e-01 
5.58 -1.016000688e-01 
5.60 -9.836533042e-02 
5.62 -9.503340844e-02 
5.64 -9.157848556e-02 
5.66 -8.799584541e-02 
5.68 -8.429943903e-02 
5.70 -8.044736719e-02 
5.72 -7.633700060e-02 
5.74 -7.187233727e-02 
5.76 -6.723932647e-02 
5.78 -6.275657145e-02 
5.80 -5.852549711e-02 
5.82 -5.431530550e-02 
5.84 -4.993361484e-02 
5.86 -4.540959712e-02 
5.88 -4.064208446e-02 
5.90 -3.551701293e-02 
5.92 -3.006761802e-02 
5.94 -2.441159024e-02 
5.96 -1.906150893e-02 
5.98 -1.437206874e-02 
6.00 -1.048529046e-02