# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Oliveira-D-S-Kuritza-D-P-Zavarize-M-et-al--Ga-P # implementation = 2025--Oliveira-D-S--Ga-P--LAMMPS--ipr1 # composition = Ga2P # 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 2025-12-17 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 -5.229467023e+08 0.94 -5.485983019e+08 0.96 -5.279377413e+08 0.98 -4.592151006e+08 1.00 -3.574645428e+08 1.02 -2.550896487e+08 1.04 -1.674711717e+08 1.06 -1.021630110e+08 1.08 -5.740933897e+07 1.10 -2.958016901e+07 1.12 -1.358785271e+07 1.14 -5.217530401e+06 1.16 -1.543628519e+06 1.18 -2.712934948e+05 1.20 -6.833746268e+03 1.22 1.114099849e+02 1.24 1.014234549e+02 1.26 9.229393453e+01 1.28 8.395793262e+01 1.30 7.636279061e+01 1.32 6.944939877e+01 1.34 6.314800614e+01 1.36 5.738782257e+01 1.38 5.212632715e+01 1.40 4.733806126e+01 1.42 4.300284094e+01 1.44 3.907738515e+01 1.46 3.551248634e+01 1.48 3.226724969e+01 1.50 2.930720242e+01 1.52 2.659925119e+01 1.54 2.411233198e+01 1.56 2.180677323e+01 1.58 1.964630523e+01 1.60 1.761859344e+01 1.62 1.572426601e+01 1.64 1.396130675e+01 1.66 1.232597101e+01 1.68 1.081575865e+01 1.70 9.428631389e+00 1.72 8.161053910e+00 1.74 7.002851923e+00 1.76 5.940816808e+00 1.78 4.962099061e+00 1.80 4.054277877e+00 1.82 3.205796342e+00 1.84 2.412961058e+00 1.86 1.675551747e+00 1.88 9.942810378e-01 1.90 3.699043907e-01 1.92 -1.974917892e-01 1.94 -7.074878196e-01 1.96 -1.162636989e+00 1.98 -1.569052654e+00 2.00 -1.932337541e+00 2.02 -2.254429580e+00 2.04 -2.536478271e+00 2.06 -2.780094128e+00 2.08 -2.987678159e+00 2.10 -3.163541078e+00 2.12 -3.312866544e+00 2.14 -3.439449280e+00 2.16 -3.546437587e+00 2.18 -3.636460554e+00 2.20 -3.712083725e+00 2.22 -3.775640343e+00 2.24 -3.827785778e+00 2.26 -3.868766372e+00 2.28 -3.898453246e+00 2.30 -3.916488490e+00 2.32 -3.922841795e+00 2.34 -3.919002866e+00 2.36 -3.906962444e+00 2.38 -3.889041697e+00 2.40 -3.866842973e+00 2.42 -3.840707827e+00 2.44 -3.810855987e+00 2.46 -3.777232258e+00 2.48 -3.739852329e+00 2.50 -3.698820197e+00 2.52 -3.654366494e+00 2.54 -3.607501017e+00 2.56 -3.559592854e+00 2.58 -3.514030098e+00 2.60 -3.477368027e+00 2.62 -3.446712168e+00 2.64 -3.418406925e+00 2.66 -3.389962604e+00 2.68 -3.360037105e+00 2.70 -3.328670919e+00 2.72 -3.295807351e+00 2.74 -3.261719534e+00 2.76 -3.227081651e+00 2.78 -3.192562501e+00 2.80 -3.158466784e+00 2.82 -3.125072359e+00 2.84 -3.092849987e+00 2.86 -3.061730177e+00 2.88 -3.030789775e+00 2.90 -2.999350236e+00 2.92 -2.967216336e+00 2.94 -2.934567760e+00 2.96 -2.902326548e+00 2.98 -2.871032281e+00 3.00 -2.840891413e+00 3.02 -2.813111812e+00 3.04 -2.788695231e+00 3.06 -2.766562664e+00 3.08 -2.744492536e+00 3.10 -2.720159688e+00 3.12 -2.690789278e+00 3.14 -2.653962367e+00 3.16 -2.614468164e+00 3.18 -2.573529019e+00 3.20 -2.531461336e+00 3.22 -2.488285616e+00 3.24 -2.443999361e+00 3.26 -2.398556451e+00 3.28 -2.351837427e+00 3.30 -2.303555562e+00 3.32 -2.253271094e+00 3.34 -2.201162471e+00 3.36 -2.147852922e+00 3.38 -2.094128429e+00 3.40 -2.040907974e+00 3.42 -1.989109564e+00 3.44 -1.939477901e+00 3.46 -1.892898096e+00 3.48 -1.850378357e+00 3.50 -1.812970242e+00 3.52 -1.781513964e+00 3.54 -1.756705888e+00 3.56 -1.739284839e+00 3.58 -1.728010761e+00 3.60 -1.719962882e+00 3.62 -1.712138367e+00 3.64 -1.701529666e+00 3.66 -1.684971847e+00 3.68 -1.660503107e+00 3.70 -1.635665518e+00 3.72 -1.612089796e+00 3.74 -1.589721119e+00 3.76 -1.568476498e+00 3.78 -1.548246242e+00 3.80 -1.528894736e+00 3.82 -1.510231828e+00 3.84 -1.492071635e+00 3.86 -1.474290756e+00 3.88 -1.456773200e+00 3.90 -1.439410202e+00 3.92 -1.422100790e+00 3.94 -1.404752462e+00 3.96 -1.387282131e+00 3.98 -1.369617890e+00 4.00 -1.351669469e+00 4.02 -1.333347472e+00 4.04 -1.314782843e+00 4.06 -1.296090526e+00 4.08 -1.277252319e+00 4.10 -1.258210460e+00 4.12 -1.238907490e+00 4.14 -1.219307622e+00 4.16 -1.199415623e+00 4.18 -1.179371260e+00 4.20 -1.159503003e+00 4.22 -1.140103337e+00 4.24 -1.121230273e+00 4.26 -1.102903221e+00 4.28 -1.085130233e+00 4.30 -1.067905292e+00 4.32 -1.051204532e+00 4.34 -1.034970106e+00 4.36 -1.018962492e+00 4.38 -1.002816378e+00 4.40 -9.861280309e-01 4.42 -9.685425576e-01 4.44 -9.498649225e-01 4.46 -9.299135282e-01 4.48 -9.084956552e-01 4.50 -8.853998723e-01 4.52 -8.604830071e-01 4.54 -8.339012957e-01 4.56 -8.058971534e-01 4.58 -7.767418210e-01 4.60 -7.467394942e-01 4.62 -7.162335105e-01 4.64 -6.872809724e-01 4.66 -6.650132371e-01 4.68 -6.534464138e-01 4.70 -6.542091613e-01 4.72 -6.667674977e-01 4.74 -6.888990287e-01 4.76 -7.170464344e-01 4.78 -7.467475288e-01 4.80 -7.731345677e-01 4.82 -7.924688294e-01 4.84 -8.040139508e-01 4.86 -8.084759254e-01 4.88 -8.063733813e-01 4.90 -7.981601174e-01 4.92 -7.846086001e-01 4.94 -7.667117234e-01 4.96 -7.455914195e-01 4.98 -7.224139585e-01 5.00 -6.983140622e-01 5.02 -6.732477814e-01 5.04 -6.460356373e-01 5.06 -6.178733175e-01 5.08 -5.901064926e-01 5.10 -5.636792207e-01 5.12 -5.391357928e-01 5.14 -5.166790596e-01 5.16 -4.962728649e-01 5.18 -4.777776707e-01 5.20 -4.602754839e-01 5.22 -4.380061568e-01 5.24 -4.110670877e-01 5.26 -3.810103367e-01 5.28 -3.493034416e-01 5.30 -3.172014762e-01 5.32 -2.856845330e-01 5.34 -2.554639427e-01 5.36 -2.270323106e-01 5.38 -2.007427064e-01 5.40 -1.769058388e-01 5.42 -1.556036230e-01 5.44 -1.366323602e-01 5.46 -1.206353104e-01 5.48 -1.080872517e-01 5.50 -9.911002865e-02 5.52 -9.360255452e-02 5.54 -9.132716728e-02 5.56 -9.196581300e-02 5.58 -9.515735792e-02 5.60 -1.005247697e-01 5.62 -1.076418855e-01 5.64 -1.158259842e-01 5.66 -1.240950653e-01 5.68 -1.312606839e-01 5.70 -1.360850127e-01 5.72 -1.374939132e-01 5.74 -1.348331638e-01 5.76 -1.281430420e-01 5.78 -1.184105266e-01 5.80 -1.077516565e-01 5.82 -9.960840750e-02 5.84 -9.747562545e-02 5.86 -1.029950104e-01 5.88 -1.157486607e-01 5.90 -1.336753232e-01 5.92 -1.537806265e-01 5.94 -1.728883031e-01 5.96 -1.882004508e-01 5.98 -1.975250870e-01 6.00 -1.995748351e-01