# 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 = F2KNa # 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 L2_1--AlCu2Mn--h L2_1--AlCu2Mn--h 0.50 nan nan 0.52 nan nan 0.54 nan nan 0.56 nan nan 0.58 nan nan 0.60 nan nan 0.62 nan nan 0.64 nan nan 0.66 nan nan 0.68 nan nan 0.70 nan nan 0.72 nan nan 0.74 nan nan 0.76 nan nan 0.78 nan nan 0.80 nan nan 0.82 nan nan 0.84 nan nan 0.86 nan nan 0.88 nan nan 0.90 nan nan 0.92 nan nan 0.94 nan nan 0.96 nan nan 0.98 nan nan 1.00 nan nan 1.02 nan nan 1.04 nan nan 1.06 nan nan 1.08 nan nan 1.10 nan nan 1.12 nan nan 1.14 nan nan 1.16 nan nan 1.18 nan nan 1.20 6.514351868e+03 6.514351868e+03 1.22 5.464347423e+03 5.464347423e+03 1.24 4.595937913e+03 4.595937913e+03 1.26 3.875359765e+03 3.875359765e+03 1.28 3.275600395e+03 3.275600395e+03 1.30 2.775450340e+03 2.775450340e+03 1.32 2.356983621e+03 2.356983621e+03 1.34 2.006005001e+03 2.006005001e+03 1.36 1.711053827e+03 1.711053827e+03 1.38 1.462243901e+03 1.462243901e+03 1.40 1.251980568e+03 1.251980568e+03 1.42 1.073937568e+03 1.073937568e+03 1.44 9.229078677e+02 9.229078677e+02 1.46 7.943312679e+02 7.943312679e+02 1.48 6.848277985e+02 6.848277985e+02 1.50 5.913785295e+02 5.913785295e+02 1.52 5.114425840e+02 5.114425840e+02 1.54 4.428686160e+02 4.428686160e+02 1.56 3.840104401e+02 3.840104401e+02 1.58 3.334071394e+02 3.334071394e+02 1.60 2.898205774e+02 2.898205774e+02 1.62 2.522062285e+02 2.522062285e+02 1.64 2.195954376e+02 2.195954376e+02 1.66 1.913523424e+02 1.913523424e+02 1.68 1.668810796e+02 1.668810796e+02 1.70 1.456473446e+02 1.456473446e+02 1.72 1.271999132e+02 1.271999132e+02 1.74 1.111494547e+02 1.111494547e+02 1.76 9.712830645e+01 9.712830645e+01 1.78 8.488248799e+01 8.488248799e+01 1.80 7.418697150e+01 7.418697150e+01 1.82 6.483934349e+01 6.483934349e+01 1.84 5.664605504e+01 5.664605504e+01 1.86 4.946377463e+01 4.946377463e+01 1.88 4.316562711e+01 4.316562711e+01 1.90 3.763582526e+01 3.763582526e+01 1.92 3.276120041e+01 3.276120041e+01 1.94 2.847127987e+01 2.847127987e+01 1.96 2.469315876e+01 2.469315876e+01 1.98 2.136218320e+01 2.136218320e+01 2.00 1.842243911e+01 1.842243911e+01 2.02 1.582508391e+01 1.582508391e+01 2.04 1.352604369e+01 1.352604369e+01 2.06 1.149158208e+01 1.149158208e+01 2.08 9.689242468e+00 9.689242468e+00 2.10 8.087172182e+00 8.087172182e+00 2.12 6.658326418e+00 6.658326418e+00 2.14 5.386254567e+00 5.386254567e+00 2.16 4.259253098e+00 4.259253098e+00 2.18 3.260561049e+00 3.260561049e+00 2.20 2.375475367e+00 2.375475367e+00 2.22 1.591219985e+00 1.591219985e+00 2.24 8.964557806e-01 8.964557806e-01 2.26 2.812975134e-01 2.812975134e-01 2.28 -2.629166698e-01 -2.629166698e-01 2.30 -7.441287316e-01 -7.441287316e-01 2.32 -1.168513852e+00 -1.168513852e+00 2.34 -1.542471090e+00 -1.542471090e+00 2.36 -1.871375400e+00 -1.871375400e+00 2.38 -2.159404922e+00 -2.159404922e+00 2.40 -2.410158249e+00 -2.410158249e+00 2.42 -2.632217219e+00 -2.632217219e+00 2.44 -2.823725366e+00 -2.823725366e+00 2.46 -2.987003830e+00 -2.987003830e+00 2.48 -3.125099228e+00 -3.125099228e+00 2.50 -3.241527610e+00 -3.241527610e+00 2.52 -3.337414968e+00 -3.337414968e+00 2.54 -3.414746127e+00 -3.414746127e+00 2.56 -3.475432905e+00 -3.475432905e+00 2.58 -3.521186241e+00 -3.521186241e+00 2.60 -3.553538542e+00 -3.553538542e+00 2.62 -3.574091008e+00 -3.574091008e+00 2.64 -3.584063696e+00 -3.584063696e+00 2.66 -3.584208827e+00 -3.584208827e+00 2.68 -3.575553604e+00 -3.575553604e+00 2.70 -3.559016830e+00 -3.559016830e+00 2.72 -3.535422402e+00 -3.535422402e+00 2.74 -3.505501836e+00 -3.505501836e+00 2.76 -3.469931957e+00 -3.469931957e+00 2.78 -3.429315342e+00 -3.429315342e+00 2.80 -3.384193095e+00 -3.384193095e+00 2.82 -3.335100973e+00 -3.335100973e+00 2.84 -3.282449025e+00 -3.282449025e+00 2.86 -3.226655648e+00 -3.226655648e+00 2.88 -3.168916050e+00 -3.168916050e+00 2.90 -3.108680299e+00 -3.108680299e+00 2.92 -3.046238152e+00 -3.046238152e+00 2.94 -2.981920404e+00 -2.981920404e+00 2.96 -2.916034822e+00 -2.916034822e+00 2.98 -2.848855934e+00 -2.848855934e+00 3.00 -2.780684267e+00 -2.780684267e+00 3.02 -2.711941299e+00 -2.711941299e+00 3.04 -2.642664410e+00 -2.642664410e+00 3.06 -2.573043173e+00 -2.573043173e+00 3.08 -2.503297817e+00 -2.503297817e+00 3.10 -2.433596017e+00 -2.433596017e+00 3.12 -2.364121562e+00 -2.364121562e+00 3.14 -2.295042811e+00 -2.295042811e+00 3.16 -2.226513281e+00 -2.226513281e+00 3.18 -2.158748135e+00 -2.158748135e+00 3.20 -2.091785571e+00 -2.091785571e+00 3.22 -2.025735788e+00 -2.025735788e+00 3.24 -1.960701539e+00 -1.960701539e+00 3.26 -1.896812174e+00 -1.896812174e+00 3.28 -1.834276686e+00 -1.834276686e+00 3.30 -1.772961919e+00 -1.772961919e+00 3.32 -1.712930448e+00 -1.712930448e+00 3.34 -1.654235096e+00 -1.654235096e+00 3.36 -1.596919682e+00 -1.596919682e+00 3.38 -1.541030200e+00 -1.541030200e+00 3.40 -1.486664417e+00 -1.486664417e+00 3.42 -1.433740757e+00 -1.433740757e+00 3.44 -1.382278264e+00 -1.382278264e+00 3.46 -1.332289547e+00 -1.332289547e+00 3.48 -1.283781053e+00 -1.283781053e+00 3.50 -1.236753905e+00 -1.236753905e+00 3.52 -1.191204152e+00 -1.191204152e+00 3.54 -1.147123472e+00 -1.147123472e+00 3.56 -1.104500204e+00 -1.104500204e+00 3.58 -1.063318459e+00 -1.063318459e+00 3.60 -1.023558952e+00 -1.023558952e+00 3.62 -9.851992674e-01 -9.851992674e-01 3.64 -9.482141075e-01 -9.482141075e-01 3.66 -9.125755227e-01 -9.125755227e-01 3.68 -8.782564822e-01 -8.782564822e-01 3.70 -8.454754891e-01 -8.454754891e-01 3.72 -8.138895784e-01 -8.138895784e-01 3.74 -7.834717421e-01 -7.834717421e-01 3.76 -7.541917248e-01 -7.541917248e-01 3.78 -7.261571165e-01 -7.261571165e-01 3.80 -6.991755674e-01 -6.991755674e-01 3.82 -6.732085348e-01 -6.732085348e-01 3.84 -6.482192971e-01 -6.482192971e-01 3.86 -6.241723412e-01 -6.241723412e-01 3.88 -6.010300950e-01 -6.010300950e-01 3.90 -5.787544186e-01 -5.787544186e-01 3.92 -5.573070185e-01 -5.573070185e-01 3.94 -5.366497655e-01 -5.366497655e-01 3.96 -5.167563097e-01 -5.167563097e-01 3.98 -4.976248397e-01 -4.976248397e-01 4.00 -4.791614004e-01 -4.791614004e-01 4.02 -4.613330330e-01 -4.613330330e-01 4.04 -4.441079112e-01 -4.441079112e-01 4.06 -4.274555245e-01 -4.274555245e-01 4.08 -4.113468299e-01 -4.113468299e-01 4.10 -3.957543731e-01 -3.957543731e-01 4.12 -3.806523796e-01 -3.806523796e-01 4.14 -3.660168155e-01 -3.660168155e-01 4.16 -3.518254222e-01 -3.518254222e-01 4.18 -3.380577238e-01 -3.380577238e-01 4.20 -3.246950114e-01 -3.246950114e-01 4.22 -3.117203057e-01 -3.117203057e-01 4.24 -2.991182998e-01 -2.991182998e-01 4.26 -2.868752861e-01 -2.868752861e-01 4.28 -2.749790686e-01 -2.749790686e-01 4.30 -2.634188638e-01 -2.634188638e-01 4.32 -2.521916153e-01 -2.521916153e-01 4.34 -2.413313243e-01 -2.413313243e-01 4.36 -2.307710700e-01 -2.307710700e-01 4.38 -2.205063154e-01 -2.205063154e-01 4.40 -2.105331211e-01 -2.105331211e-01 4.42 -2.008480494e-01 -2.008480494e-01 4.44 -1.914480708e-01 -1.914480708e-01 4.46 -1.823304758e-01 -1.823304758e-01 4.48 -1.734927890e-01 -1.734927890e-01 4.50 -1.649350960e-01 -1.649350960e-01 4.52 -1.568439505e-01 -1.568439505e-01 4.54 -1.490037066e-01 -1.490037066e-01 4.56 -1.414119492e-01 -1.414119492e-01 4.58 -1.340688786e-01 -1.340688786e-01 4.60 -1.269740681e-01 -1.269740681e-01 4.62 -1.201975324e-01 -1.201975324e-01 4.64 -1.138101095e-01 -1.138101095e-01 4.66 -1.076360139e-01 -1.076360139e-01 4.68 -1.016769631e-01 -1.016769631e-01 4.70 -9.593390681e-02 -9.593390681e-02 4.72 -9.040706249e-02 -9.040706249e-02 4.74 -8.509595453e-02 -8.509595453e-02 4.76 -7.999945547e-02 -7.999945547e-02 4.78 -7.511582907e-02 -7.511582907e-02 4.80 -7.044277471e-02 -7.044277471e-02 4.82 -6.597746581e-02 -6.597746581e-02 4.84 -6.171638266e-02 -6.171638266e-02 4.86 -5.765607095e-02 -5.765607095e-02 4.88 -5.379241820e-02 -5.379241820e-02 4.90 -5.012097047e-02 -5.012097047e-02 4.92 -4.663697431e-02 -4.663697431e-02 4.94 -4.333541698e-02 -4.333541698e-02 4.96 -4.021106508e-02 -4.021106508e-02 4.98 -3.725850111e-02 -3.725850111e-02 5.00 -3.447215821e-02 -3.447215821e-02 5.02 -3.184635268e-02 -3.184635268e-02 5.04 -2.937531453e-02 -2.937531453e-02 5.06 -2.705321589e-02 -2.705321589e-02 5.08 -2.487419739e-02 -2.487419739e-02 5.10 -2.283239251e-02 -2.283239251e-02 5.12 -2.092195006e-02 -2.092195006e-02 5.14 -1.913705470e-02 -1.913705470e-02 5.16 -1.747194576e-02 -1.747194576e-02 5.18 -1.592093430e-02 -1.592093430e-02 5.20 -1.447841862e-02 -1.447841862e-02 5.22 -1.321577014e-02 -1.321577014e-02 5.24 -1.205666462e-02 -1.205666462e-02 5.26 -1.097714323e-02 -1.097714323e-02 5.28 -9.973651380e-03 -9.973651380e-03 5.30 -9.042617792e-03 -9.042617792e-03 5.32 -8.180473219e-03 -8.180473219e-03 5.34 -7.383668070e-03 -7.383668070e-03 5.36 -6.648688752e-03 -6.648688752e-03 5.38 -5.972072712e-03 -5.972072712e-03 5.40 -5.350422113e-03 -5.350422113e-03 5.42 -4.780416115e-03 -4.780416115e-03 5.44 -4.258821756e-03 -4.258821756e-03 5.46 -3.782503432e-03 -3.782503432e-03 5.48 -3.348430990e-03 -3.348430990e-03 5.50 -2.953686480e-03 -2.953686480e-03 5.52 -2.595469599e-03 -2.595469599e-03 5.54 -2.271101888e-03 -2.271101888e-03 5.56 -1.978029741e-03 -1.978029741e-03 5.58 -1.713826315e-03 -1.713826315e-03 5.60 -1.476192392e-03 -1.476192392e-03 5.62 -1.262956301e-03 -1.262956301e-03 5.64 -1.072072968e-03 -1.072072968e-03 5.66 -9.016221993e-04 -9.016221993e-04 5.68 -7.498062564e-04 -7.498062564e-04 5.70 -6.149468447e-04 -6.149468447e-04 5.72 -4.954815724e-04 -4.954815724e-04 5.74 -3.899700902e-04 -3.899700902e-04 5.76 -2.970674028e-04 -2.970674028e-04 5.78 -2.155204992e-04 -2.155204992e-04 5.80 -1.441885943e-04 -1.441885943e-04 5.82 -8.202391997e-05 -8.202391997e-05 5.84 -2.806667299e-05 -2.806667299e-05 5.86 -1.694803968e-06 -1.694803968e-06 5.88 -1.345452883e-06 -1.345452883e-06 5.90 -1.048922354e-06 -1.048922354e-06 5.92 -7.985193138e-07 -7.985193138e-07 5.94 -5.882872962e-07 -5.882872962e-07 5.96 -4.129361098e-07 -4.129361098e-07 5.98 -2.677771244e-07 -2.677771244e-07 6.00 -1.486638473e-07 -1.486638473e-07