# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = Fe2MoTa # 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 2024-04-11 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 nan nan 1.22 nan nan 1.24 nan nan 1.26 nan nan 1.28 2.660358727e+02 2.660358727e+02 1.30 2.441984042e+02 2.441984042e+02 1.32 2.241121553e+02 2.241121553e+02 1.34 2.056207300e+02 2.056207300e+02 1.36 1.885848489e+02 1.885848489e+02 1.38 1.728807820e+02 1.728807820e+02 1.40 1.583988725e+02 1.583988725e+02 1.42 1.450420955e+02 1.450420955e+02 1.44 1.327242735e+02 1.327242735e+02 1.46 1.213678943e+02 1.213678943e+02 1.48 1.109019001e+02 1.109019001e+02 1.50 1.012599407e+02 1.012599407e+02 1.52 9.237940312e+01 9.237940312e+01 1.54 8.420121821e+01 8.420121821e+01 1.56 7.667014169e+01 7.667014169e+01 1.58 6.973508685e+01 6.973508685e+01 1.60 6.334919699e+01 6.334919699e+01 1.62 5.746959651e+01 5.746959651e+01 1.64 5.205695606e+01 5.205695606e+01 1.66 4.707503936e+01 4.707503936e+01 1.68 4.249031566e+01 4.249031566e+01 1.70 3.827164039e+01 3.827164039e+01 1.72 3.438999011e+01 3.438999011e+01 1.74 3.081826684e+01 3.081826684e+01 1.76 2.753317263e+01 2.753317263e+01 1.78 2.451578808e+01 2.451578808e+01 1.80 2.174619508e+01 2.174619508e+01 1.82 1.920450394e+01 1.920450394e+01 1.84 1.687215698e+01 1.687215698e+01 1.86 1.473288729e+01 1.473288729e+01 1.88 1.277225516e+01 1.277225516e+01 1.90 1.097723887e+01 1.097723887e+01 1.92 9.335799426e+00 9.335799426e+00 1.94 7.836507142e+00 7.836507142e+00 1.96 6.468298636e+00 6.468298636e+00 1.98 5.220391959e+00 5.220391959e+00 2.00 4.082349299e+00 4.082349299e+00 2.02 3.044243530e+00 3.044243530e+00 2.04 2.096860694e+00 2.096860694e+00 2.06 1.231865175e+00 1.231865175e+00 2.08 4.418759284e-01 4.418759284e-01 2.10 -2.795571843e-01 -2.795571843e-01 2.12 -9.380501238e-01 -9.380501238e-01 2.14 -1.538512072e+00 -1.538512072e+00 2.16 -2.085269404e+00 -2.085269404e+00 2.18 -2.582171451e+00 -2.582171451e+00 2.20 -3.032679008e+00 -3.032679008e+00 2.22 -3.439942450e+00 -3.439942450e+00 2.24 -3.806874295e+00 -3.806874295e+00 2.26 -4.136216301e+00 -4.136216301e+00 2.28 -4.430597216e+00 -4.430597216e+00 2.30 -4.692575630e+00 -4.692575630e+00 2.32 -4.924662724e+00 -4.924662724e+00 2.34 -5.129322118e+00 -5.129322118e+00 2.36 -5.308948045e+00 -5.308948045e+00 2.38 -5.465797276e+00 -5.465797276e+00 2.40 -5.601878104e+00 -5.601878104e+00 2.42 -5.719336832e+00 -5.719336832e+00 2.44 -5.820107186e+00 -5.820107186e+00 2.46 -5.905847612e+00 -5.905847612e+00 2.48 -5.977962445e+00 -5.977962445e+00 2.50 -6.037504805e+00 -6.037504805e+00 2.52 -6.085260179e+00 -6.085260179e+00 2.54 -6.121833236e+00 -6.121833236e+00 2.56 -6.147823017e+00 -6.147823017e+00 2.58 -6.163817458e+00 -6.163817458e+00 2.60 -6.170378569e+00 -6.170378569e+00 2.62 -6.168032687e+00 -6.168032687e+00 2.64 -6.157260802e+00 -6.157260802e+00 2.66 -6.138368927e+00 -6.138368927e+00 2.68 -6.111498849e+00 -6.111498849e+00 2.70 -6.076800059e+00 -6.076800059e+00 2.72 -6.034433856e+00 -6.034433856e+00 2.74 -5.984569283e+00 -5.984569283e+00 2.76 -5.927381649e+00 -5.927381649e+00 2.78 -5.863053756e+00 -5.863053756e+00 2.80 -5.791779920e+00 -5.791779920e+00 2.82 -5.713772611e+00 -5.713772611e+00 2.84 -5.629271180e+00 -5.629271180e+00 2.86 -5.538558104e+00 -5.538558104e+00 2.88 -5.441953462e+00 -5.441953462e+00 2.90 -5.339824517e+00 -5.339824517e+00 2.92 -5.232598364e+00 -5.232598364e+00 2.94 -5.120758173e+00 -5.120758173e+00 2.96 -5.004832724e+00 -5.004832724e+00 2.98 -4.885379462e+00 -4.885379462e+00 3.00 -4.762962595e+00 -4.762962595e+00 3.02 -4.638087408e+00 -4.638087408e+00 3.04 -4.511033625e+00 -4.511033625e+00 3.06 -4.382015090e+00 -4.382015090e+00 3.08 -4.251227276e+00 -4.251227276e+00 3.10 -4.118836071e+00 -4.118836071e+00 3.12 -3.984978730e+00 -3.984978730e+00 3.14 -3.849775516e+00 -3.849775516e+00 3.16 -3.713349184e+00 -3.713349184e+00 3.18 -3.575848644e+00 -3.575848644e+00 3.20 -3.437472827e+00 -3.437472827e+00 3.22 -3.298490911e+00 -3.298490911e+00 3.24 -3.159255567e+00 -3.159255567e+00 3.26 -3.020206826e+00 -3.020206826e+00 3.28 -2.881865379e+00 -2.881865379e+00 3.30 -2.744815606e+00 -2.744815606e+00 3.32 -2.609680134e+00 -2.609680134e+00 3.34 -2.477089012e+00 -2.477089012e+00 3.36 -2.347647298e+00 -2.347647298e+00 3.38 -2.221904952e+00 -2.221904952e+00 3.40 -2.100332202e+00 -2.100332202e+00 3.42 -1.983302414e+00 -1.983302414e+00 3.44 -1.871083088e+00 -1.871083088e+00 3.46 -1.763834400e+00 -1.763834400e+00 3.48 -1.661613941e+00 -1.661613941e+00 3.50 -1.564385926e+00 -1.564385926e+00 3.52 -1.472033311e+00 -1.472033311e+00 3.54 -1.384371556e+00 -1.384371556e+00 3.56 -1.301163178e+00 -1.301163178e+00 3.58 -1.222132567e+00 -1.222132567e+00 3.60 -1.146980724e+00 -1.146980724e+00 3.62 -1.075399643e+00 -1.075399643e+00 3.64 -1.007086017e+00 -1.007086017e+00 3.66 -9.417539292e-01 -9.417539292e-01 3.68 -8.791460779e-01 -8.791460779e-01 3.70 -8.190430650e-01 -8.190430650e-01 3.72 -7.612702617e-01 -7.612702617e-01 3.74 -7.057018414e-01 -7.057018414e-01 3.76 -6.522616128e-01 -6.522616128e-01 3.78 -6.009215096e-01 -6.009215096e-01 3.80 -5.516956660e-01 -5.516956660e-01 3.82 -5.046323191e-01 -5.046323191e-01 3.84 -4.598037114e-01 -4.598037114e-01 3.86 -4.172946101e-01 -4.172946101e-01 3.88 -3.771905646e-01 -3.771905646e-01 3.90 -3.395676548e-01 -3.395676548e-01 3.92 -3.044825831e-01 -3.044825831e-01 3.94 -2.719657282e-01 -2.719657282e-01 3.96 -2.420169233e-01 -2.420169233e-01 3.98 -2.146039382e-01 -2.146039382e-01 4.00 -1.896634326e-01 -1.896634326e-01 4.02 -1.671039270e-01 -1.671039270e-01 4.04 -1.468102170e-01 -1.468102170e-01 4.06 -1.286486220e-01 -1.286486220e-01 4.08 -1.124725141e-01 -1.124725141e-01 4.10 -9.812766796e-02 -9.812766796e-02 4.12 -8.545710339e-02 -8.545710339e-02 4.14 -7.430521214e-02 -7.430521214e-02 4.16 -6.452107878e-02 -6.452107878e-02 4.18 -5.596098769e-02 -5.596098769e-02 4.20 -4.849017329e-02 -4.849017329e-02 4.22 -4.198390709e-02 -4.198390709e-02 4.24 -3.632803289e-02 -3.632803289e-02 4.26 -3.141906545e-02 -3.141906545e-02 4.28 -2.716395789e-02 -2.716395789e-02 4.30 -2.347962821e-02 -2.347962821e-02 4.32 -2.029234249e-02 -2.029234249e-02 4.34 -1.753699887e-02 -1.753699887e-02 4.36 -1.515594397e-02 -1.515594397e-02 4.38 -1.309874586e-02 -1.309874586e-02 4.40 -1.132226231e-02 -1.132226231e-02 4.42 -9.788699281e-03 -9.788699281e-03 4.44 -8.465076573e-03 -8.465076573e-03 4.46 -7.322716001e-03 -7.322716001e-03 4.48 -6.336747701e-03 -6.336747701e-03 4.50 -5.485649178e-03 -5.485649178e-03 4.52 -4.750824304e-03 -4.750824304e-03 4.54 -4.116224701e-03 -4.116224701e-03 4.56 -3.568013055e-03 -3.568013055e-03 4.58 -3.094266202e-03 -3.094266202e-03 4.60 -2.684714934e-03 -2.684714934e-03 4.62 -2.330517088e-03 -2.330517088e-03 4.64 -2.024060393e-03 -2.024060393e-03 4.66 -1.758791671e-03 -1.758791671e-03 4.68 -1.529069209e-03 -1.529069209e-03 4.70 -1.330035369e-03 -1.330035369e-03 4.72 -1.157506829e-03 -1.157506829e-03 4.74 -1.007880098e-03 -1.007880098e-03 4.76 -8.780502532e-04 -8.780502532e-04 4.78 -7.653410842e-04 -7.653410842e-04 4.80 -6.674450031e-04 -6.674450031e-04 4.82 -5.823717620e-04 -5.823717620e-04 4.84 -5.084037321e-04 -5.084037321e-04 4.86 -4.440581681e-04 -4.440581681e-04 4.88 -3.880544595e-04 -3.880544595e-04 4.90 -3.392860683e-04 -3.392860683e-04 4.92 -2.967964173e-04 -2.967964173e-04 4.94 -2.597581713e-04 -2.597581713e-04 4.96 -2.274554270e-04 -2.274554270e-04 4.98 -1.992683990e-04 -1.992683990e-04 5.00 -1.746602480e-04 -1.746602480e-04 5.02 -1.531657471e-04 -1.531657471e-04 5.04 -1.343815257e-04 -1.343815257e-04 5.06 -1.179576681e-04 -1.179576681e-04 5.08 -1.035904762e-04 -1.035904762e-04 5.10 -9.101623085e-05 -9.101623085e-05 5.12 -8.000581332e-05 -8.000581332e-05 5.14 -7.036006465e-05 -7.036006465e-05 5.16 -6.190578071e-05 -6.190578071e-05 5.18 -5.449225389e-05 -5.449225389e-05 5.20 -4.798828533e-05 -4.798828533e-05 5.22 -4.227960243e-05 -4.227960243e-05 5.24 -3.726662572e-05 -3.726662572e-05 5.26 -3.286253665e-05 -3.286253665e-05 5.28 -2.899160506e-05 -2.899160506e-05 5.30 -2.558774071e-05 -2.558774071e-05 5.32 -2.259323811e-05 -2.259323811e-05 5.34 -1.995768844e-05 -1.995768844e-05 5.36 -1.763703581e-05 -1.763703581e-05 5.38 -1.559275825e-05 -1.559275825e-05 5.40 -1.379115668e-05 -1.379115668e-05 5.42 -1.220273720e-05 -1.220273720e-05 5.44 -1.080167436e-05 -1.080167436e-05 5.46 -9.565344414e-06 -9.565344414e-06 5.48 -8.473919262e-06 -8.473919262e-06 5.50 -7.510013106e-06 -7.510013106e-06 5.52 -6.658374722e-06 -6.658374722e-06 5.54 -5.905619389e-06 -5.905619389e-06 5.56 -5.239995232e-06 -5.239995232e-06 5.58 -4.651179480e-06 -4.651179480e-06 5.60 -4.130100701e-06 -4.130100701e-06 5.62 -3.668783659e-06 -3.668783659e-06 5.64 -3.260213829e-06 -3.260213829e-06 5.66 -2.898219031e-06 -2.898219031e-06 5.68 -2.577365981e-06 -2.577365981e-06 5.70 -2.292869818e-06 -2.292869818e-06 5.72 -2.040514973e-06 -2.040514973e-06 5.74 -1.816585893e-06 -1.816585893e-06 5.76 -1.617806394e-06 -1.617806394e-06 5.78 -1.441286533e-06 -1.441286533e-06 5.80 -1.284476039e-06 -1.284476039e-06 5.82 -1.145123495e-06 -1.145123495e-06 5.84 -1.021240525e-06 -1.021240525e-06 5.86 -9.110703698e-07 -9.110703698e-07 5.88 -8.130603063e-07 -8.130603063e-07 5.90 -7.258374144e-07 -7.258374144e-07 5.92 -6.481872917e-07 -6.481872917e-07 5.94 -5.790353417e-07 -5.790353417e-07 5.96 -5.174303194e-07 -5.174303194e-07 5.98 -4.625298568e-07 -4.625298568e-07 6.00 -4.135877232e-07 -4.135877232e-07