# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = F3Id # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 4.392372489e+02 nan nan 1.14 4.111151499e+02 nan nan 1.16 3.850215142e+02 nan nan 1.18 3.607903991e+02 nan nan 1.20 3.382719586e+02 4.694565779e+02 nan 1.22 3.173305923e+02 nan nan 1.24 2.978435189e+02 4.154887079e+02 nan 1.26 2.796968217e+02 3.911924176e+02 nan 1.28 2.627931795e+02 3.684982537e+02 4.115347472e+02 1.30 2.470319533e+02 3.472931272e+02 3.882235380e+02 1.32 2.323233274e+02 3.274650878e+02 3.664167997e+02 1.34 2.185849213e+02 3.089092640e+02 3.460014316e+02 1.36 2.057428851e+02 2.915308797e+02 3.268741984e+02 1.38 1.937290179e+02 2.752448366e+02 3.089449921e+02 1.40 1.824797157e+02 2.599726919e+02 2.921206325e+02 1.42 1.719375926e+02 2.456381828e+02 2.763265245e+02 1.44 1.620502215e+02 2.321787089e+02 2.614876096e+02 1.46 1.527690037e+02 2.195311192e+02 2.475353161e+02 1.48 1.440526694e+02 2.076375111e+02 2.344046022e+02 1.50 1.358637662e+02 1.964478048e+02 2.220416048e+02 1.52 1.281661992e+02 1.859102225e+02 2.103912133e+02 1.54 1.209251782e+02 1.759862257e+02 1.994033476e+02 1.56 1.141158130e+02 1.666354842e+02 1.890336371e+02 1.58 1.077106803e+02 1.578197827e+02 1.792426025e+02 1.60 1.016836427e+02 1.495042548e+02 1.699946675e+02 1.62 9.600880403e+01 1.416568747e+02 1.612548953e+02 1.64 9.066487865e+01 1.342483934e+02 1.529907894e+02 1.66 8.562997462e+01 1.272518848e+02 1.451758455e+02 1.68 8.088630064e+01 1.206420783e+02 1.377820470e+02 1.70 7.641458894e+01 1.143944599e+02 1.307871714e+02 1.72 7.219701655e+01 1.084859084e+02 1.241694290e+02 1.74 6.821798230e+01 1.028960869e+02 1.179045472e+02 1.76 6.446261367e+01 9.760417407e+01 1.119751763e+02 1.78 6.091668186e+01 9.259209260e+01 1.063636897e+02 1.80 5.756714970e+01 8.784697016e+01 1.010516167e+02 1.82 5.440262154e+01 8.335302614e+01 9.602112622e+01 1.84 5.141114654e+01 7.909562934e+01 9.125578065e+01 1.86 4.858270387e+01 7.506070974e+01 8.673907090e+01 1.88 4.590881418e+01 7.123683611e+01 8.245770619e+01 1.90 4.338050773e+01 6.761223750e+01 7.839906298e+01 1.92 4.098952681e+01 6.417590950e+01 7.454836888e+01 1.94 3.872823173e+01 6.091662829e+01 7.089497931e+01 1.96 3.658875219e+01 5.782496475e+01 6.742714142e+01 1.98 3.456491562e+01 5.489220120e+01 6.413394548e+01 2.00 3.265027430e+01 5.211088739e+01 6.100527141e+01 2.02 3.083910045e+01 4.947129249e+01 5.803010602e+01 2.04 2.912674203e+01 4.696717890e+01 5.520137118e+01 2.06 2.750765851e+01 4.459135775e+01 5.251151566e+01 2.08 2.597652651e+01 4.233668413e+01 4.995274224e+01 2.10 2.452831281e+01 4.019640256e+01 4.751781465e+01 2.12 2.315820953e+01 3.816409922e+01 4.519986283e+01 2.14 2.186118775e+01 3.623266951e+01 4.299227607e+01 2.16 2.063369932e+01 3.439741053e+01 4.088989550e+01 2.18 1.947186395e+01 3.265303163e+01 3.888728055e+01 2.20 1.837145717e+01 3.099422041e+01 3.697929828e+01 2.22 1.732854819e+01 2.941600151e+01 3.516118095e+01 2.24 1.634108850e+01 2.791277778e+01 3.342740900e+01 2.26 1.540614887e+01 2.648130241e+01 3.177522743e+01 2.28 1.452081249e+01 2.511791653e+01 3.020006519e+01 2.30 1.368239265e+01 2.381895557e+01 2.869841724e+01 2.32 1.288839923e+01 2.258108014e+01 2.726773543e+01 2.34 1.213650730e+01 2.140076508e+01 2.590444628e+01 2.36 1.142452922e+01 2.027573729e+01 2.460580899e+01 2.38 1.075039132e+01 1.920383327e+01 2.336877005e+01 2.40 1.011211566e+01 1.818227853e+01 2.219042839e+01 2.42 9.507806961e+00 1.720936325e+01 2.106801060e+01 2.44 8.935644396e+00 1.628344949e+01 1.999885315e+01 2.46 8.393877489e+00 1.540266074e+01 1.898025166e+01 2.48 7.880573671e+00 1.456521633e+01 1.800968950e+01 2.50 7.393606561e+00 1.376940428e+01 1.708507553e+01 2.52 6.932555292e+00 1.301356056e+01 1.620409193e+01 2.54 6.495866966e+00 1.229605413e+01 1.536312082e+01 2.56 6.082092212e+00 1.161527757e+01 1.456197957e+01 2.58 5.689563749e+00 1.096964217e+01 1.379857294e+01 2.60 5.317305226e+00 1.035672056e+01 1.307090011e+01 2.62 4.964244090e+00 9.775630286e+00 1.237718702e+01 2.64 4.629397432e+00 9.225359004e+00 1.171581896e+01 2.66 4.311754767e+00 8.703930151e+00 1.108525339e+01 2.68 4.010392328e+00 8.210040984e+00 1.048407096e+01 2.70 3.724237288e+00 7.742549235e+00 9.910508819e+00 2.72 3.452693454e+00 7.299969275e+00 9.363716186e+00 2.74 3.195177942e+00 6.880881812e+00 8.842831246e+00 2.76 2.951014308e+00 6.483932028e+00 8.346770352e+00 2.78 2.719577185e+00 6.107827826e+00 7.874519809e+00 2.80 2.500284926e+00 5.751338215e+00 7.425123400e+00 2.82 2.292592920e+00 5.413291848e+00 6.997671138e+00 2.84 2.095987629e+00 5.092575753e+00 6.591289464e+00 2.86 1.909981377e+00 4.788134236e+00 6.205133064e+00 2.88 1.734107904e+00 4.498967960e+00 5.838378318e+00 2.90 1.567918659e+00 4.224133176e+00 5.490218364e+00 2.92 1.410623237e+00 3.962741056e+00 5.159859658e+00 2.94 1.261972335e+00 3.713957088e+00 4.846519885e+00 2.96 1.121901848e+00 3.477000460e+00 4.549427025e+00 2.98 9.899720431e-01 3.251143375e+00 4.267819295e+00 3.00 8.657604378e-01 3.035710227e+00 4.000301647e+00 3.02 7.486755842e-01 2.829912247e+00 3.746498517e+00 3.04 6.385104635e-01 2.633338865e+00 3.506137020e+00 3.06 5.349373962e-01 2.445507483e+00 3.278566760e+00 3.08 4.375841201e-01 2.265929202e+00 3.063045551e+00 3.10 3.460953396e-01 2.094161040e+00 2.858862549e+00 3.12 2.601330039e-01 1.929803224e+00 2.665338517e+00 3.14 1.793766965e-01 1.772432587e+00 2.481826134e+00 3.16 1.035240440e-01 1.621274758e+00 2.307710318e+00 3.18 3.229106012e-02 1.476661372e+00 2.142408505e+00 3.20 -3.458764791e-02 1.338308569e+00 1.985370855e+00 3.22 -9.761177616e-02 1.206015599e+00 1.836080345e+00 3.24 -1.570273463e-01 1.079550285e+00 1.694052709e+00 3.26 -2.126480398e-01 9.587051282e-01 1.558836197e+00 3.28 -2.646917889e-01 8.432934697e-01 1.430011129e+00 3.30 -3.133562085e-01 7.331459044e-01 1.307189238e+00 3.32 -3.588202508e-01 6.281069934e-01 1.190012785e+00 3.34 -4.012460020e-01 5.279642868e-01 1.078153459e+00 3.36 -4.407805595e-01 4.325440744e-01 9.713110708e-01 3.38 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