# 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 = Mo2PbPd # 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 3.847056900e+02 3.847056900e+02 1.30 3.581616881e+02 3.581616881e+02 1.32 3.334887571e+02 3.334887571e+02 1.34 3.105375866e+02 3.105375866e+02 1.36 2.891787422e+02 2.891787422e+02 1.38 2.692984735e+02 2.692984735e+02 1.40 2.507937142e+02 2.507937142e+02 1.42 2.335676267e+02 2.335676267e+02 1.44 2.175272693e+02 2.175272693e+02 1.46 2.025836095e+02 2.025836095e+02 1.48 1.886526987e+02 1.886526987e+02 1.50 1.756567949e+02 1.756567949e+02 1.52 1.635249053e+02 1.635249053e+02 1.54 1.521927303e+02 1.521927303e+02 1.56 1.416020523e+02 1.416020523e+02 1.58 1.316997884e+02 1.316997884e+02 1.60 1.224369718e+02 1.224369718e+02 1.62 1.137679663e+02 1.137679663e+02 1.64 1.056500138e+02 1.056500138e+02 1.66 9.804312392e+01 9.804312392e+01 1.68 9.091020307e+01 9.091020307e+01 1.70 8.421733166e+01 8.421733166e+01 1.72 7.793411614e+01 7.793411614e+01 1.74 7.203400618e+01 7.203400618e+01 1.76 6.649446951e+01 6.649446951e+01 1.78 6.130009092e+01 6.130009092e+01 1.80 5.643901552e+01 5.643901552e+01 1.82 5.191843185e+01 5.191843185e+01 1.84 4.772656366e+01 4.772656366e+01 1.86 4.384470781e+01 4.384470781e+01 1.88 4.025333223e+01 4.025333223e+01 1.90 3.693232966e+01 3.693232966e+01 1.92 3.386155224e+01 3.386155224e+01 1.94 3.102142621e+01 3.102142621e+01 1.96 2.839344250e+01 2.839344250e+01 1.98 2.596044469e+01 2.596044469e+01 2.00 2.370670507e+01 2.370670507e+01 2.02 2.161785199e+01 2.161785199e+01 2.04 1.968072122e+01 1.968072122e+01 2.06 1.788319595e+01 1.788319595e+01 2.08 1.621407806e+01 1.621407806e+01 2.10 1.466300758e+01 1.466300758e+01 2.12 1.322043926e+01 1.322043926e+01 2.14 1.187765167e+01 1.187765167e+01 2.16 1.062676838e+01 1.062676838e+01 2.18 9.460761863e+00 9.460761863e+00 2.20 8.373419033e+00 8.373419033e+00 2.22 7.359271214e+00 7.359271214e+00 2.24 6.413495591e+00 6.413495591e+00 2.26 5.531806192e+00 5.531806192e+00 2.28 4.710348348e+00 4.710348348e+00 2.30 3.945607143e+00 3.945607143e+00 2.32 3.234328132e+00 3.234328132e+00 2.34 2.573463621e+00 2.573463621e+00 2.36 1.960124449e+00 1.960124449e+00 2.38 1.391549476e+00 1.391549476e+00 2.40 8.650848660e-01 8.650848660e-01 2.42 3.781736484e-01 3.781736484e-01 2.44 -7.164634804e-02 -7.164634804e-02 2.46 -4.867351110e-01 -4.867351110e-01 2.48 -8.693360643e-01 -8.693360643e-01 2.50 -1.221556114e+00 -1.221556114e+00 2.52 -1.545343894e+00 -1.545343894e+00 2.54 -1.842344756e+00 -1.842344756e+00 2.56 -2.114021554e+00 -2.114021554e+00 2.58 -2.362032399e+00 -2.362032399e+00 2.60 -2.587839776e+00 -2.587839776e+00 2.62 -2.792734077e+00 -2.792734077e+00 2.64 -2.977877364e+00 -2.977877364e+00 2.66 -3.144337690e+00 -3.144337690e+00 2.68 -3.293124488e+00 -3.293124488e+00 2.70 -3.425181523e+00 -3.425181523e+00 2.72 -3.541112767e+00 -3.541112767e+00 2.74 -3.641368181e+00 -3.641368181e+00 2.76 -3.726454748e+00 -3.726454748e+00 2.78 -3.796927965e+00 -3.796927965e+00 2.80 -3.853383171e+00 -3.853383171e+00 2.82 -3.896450394e+00 -3.896450394e+00 2.84 -3.926814702e+00 -3.926814702e+00 2.86 -3.945466806e+00 -3.945466806e+00 2.88 -3.953121324e+00 -3.953121324e+00 2.90 -3.950432154e+00 -3.950432154e+00 2.92 -3.938127655e+00 -3.938127655e+00 2.94 -3.917004255e+00 -3.917004255e+00 2.96 -3.887912714e+00 -3.887912714e+00 2.98 -3.851736794e+00 -3.851736794e+00 3.00 -3.809365952e+00 -3.809365952e+00 3.02 -3.761679486e+00 -3.761679486e+00 3.04 -3.709537928e+00 -3.709537928e+00 3.06 -3.653719951e+00 -3.653719951e+00 3.08 -3.594894138e+00 -3.594894138e+00 3.10 -3.533612876e+00 -3.533612876e+00 3.12 -3.470310518e+00 -3.470310518e+00 3.14 -3.405314364e+00 -3.405314364e+00 3.16 -3.338851036e+00 -3.338851036e+00 3.18 -3.271066292e+00 -3.271066292e+00 3.20 -3.202040346e+00 -3.202040346e+00 3.22 -3.131804082e+00 -3.131804082e+00 3.24 -3.060354534e+00 -3.060354534e+00 3.26 -2.987669796e+00 -2.987669796e+00 3.28 -2.913749278e+00 -2.913749278e+00 3.30 -2.838609084e+00 -2.838609084e+00 3.32 -2.762145120e+00 -2.762145120e+00 3.34 -2.684298554e+00 -2.684298554e+00 3.36 -2.605080947e+00 -2.605080947e+00 3.38 -2.524578007e+00 -2.524578007e+00 3.40 -2.442907011e+00 -2.442907011e+00 3.42 -2.360256118e+00 -2.360256118e+00 3.44 -2.276911275e+00 -2.276911275e+00 3.46 -2.193244843e+00 -2.193244843e+00 3.48 -2.109696078e+00 -2.109696078e+00 3.50 -2.026746254e+00 -2.026746254e+00 3.52 -1.944890749e+00 -1.944890749e+00 3.54 -1.864611047e+00 -1.864611047e+00 3.56 -1.786349549e+00 -1.786349549e+00 3.58 -1.710489509e+00 -1.710489509e+00 3.60 -1.637341543e+00 -1.637341543e+00 3.62 -1.567137103e+00 -1.567137103e+00 3.64 -1.500028391e+00 -1.500028391e+00 3.66 -1.436093499e+00 -1.436093499e+00 3.68 -1.375345192e+00 -1.375345192e+00 3.70 -1.317741692e+00 -1.317741692e+00 3.72 -1.263198018e+00 -1.263198018e+00 3.74 -1.211596770e+00 -1.211596770e+00 3.76 -1.162797681e+00 -1.162797681e+00 3.78 -1.116645605e+00 -1.116645605e+00 3.80 -1.072976954e+00 -1.072976954e+00 3.82 -1.031624760e+00 -1.031624760e+00 3.84 -9.924226270e-01 -9.924226270e-01 3.86 -9.552078424e-01 -9.552078424e-01 3.88 -9.198238475e-01 -9.198238475e-01 3.90 -8.861222104e-01 -8.861222104e-01 3.92 -8.539638376e-01 -8.539638376e-01 3.94 -8.232216603e-01 -8.232216603e-01 3.96 -7.937791883e-01 -7.937791883e-01 3.98 -7.655327426e-01 -7.655327426e-01 4.00 -7.383913254e-01 -7.383913254e-01 4.02 -7.122766434e-01 -7.122766434e-01 4.04 -6.871228293e-01 -6.871228293e-01 4.06 -6.628758309e-01 -6.628758309e-01 4.08 -6.394924380e-01 -6.394924380e-01 4.10 -6.169375697e-01 -6.169375697e-01 4.12 -5.951882635e-01 -5.951882635e-01 4.14 -5.742227303e-01 -5.742227303e-01 4.16 -5.540245116e-01 -5.540245116e-01 4.18 -5.345786977e-01 -5.345786977e-01 4.20 -5.158700220e-01 -5.158700220e-01 4.22 -4.978813175e-01 -4.978813175e-01 4.24 -4.805924695e-01 -4.805924695e-01 4.26 -4.639798948e-01 -4.639798948e-01 4.28 -4.480165063e-01 -4.480165063e-01 4.30 -4.326720743e-01 -4.326720743e-01 4.32 -4.179138721e-01 -4.179138721e-01 4.34 -4.037072958e-01 -4.037072958e-01 4.36 -3.900163258e-01 -3.900163258e-01 4.38 -3.768061525e-01 -3.768061525e-01 4.40 -3.640423412e-01 -3.640423412e-01 4.42 -3.516912921e-01 -3.516912921e-01 4.44 -3.397207944e-01 -3.397207944e-01 4.46 -3.281004297e-01 -3.281004297e-01 4.48 -3.168018724e-01 -3.168018724e-01 4.50 -3.057991242e-01 -3.057991242e-01 4.52 -2.950687200e-01 -2.950687200e-01 4.54 -2.845899284e-01 -2.845899284e-01 4.56 -2.743449599e-01 -2.743449599e-01 4.58 -2.643191869e-01 -2.643191869e-01 4.60 -2.545013637e-01 -2.545013637e-01 4.62 -2.448838276e-01 -2.448838276e-01 4.64 -2.354626481e-01 -2.354626481e-01 4.66 -2.262376882e-01 -2.262376882e-01 4.68 -2.172125362e-01 -2.172125362e-01 4.70 -2.083942711e-01 -2.083942711e-01 4.72 -1.997930366e-01 -1.997930366e-01 4.74 -1.914214158e-01 -1.914214158e-01 4.76 -1.832936222e-01 -1.832936222e-01 4.78 -1.754245510e-01 -1.754245510e-01 4.80 -1.678279598e-01 -1.678279598e-01 4.82 -1.605187639e-01 -1.605187639e-01 4.84 -1.535069392e-01 -1.535069392e-01 4.86 -1.468003886e-01 -1.468003886e-01 4.88 -1.404034827e-01 -1.404034827e-01 4.90 -1.343168124e-01 -1.343168124e-01 4.92 -1.285372056e-01 -1.285372056e-01 4.94 -1.230579778e-01 -1.230579778e-01 4.96 -1.178693682e-01 -1.178693682e-01 4.98 -1.129591008e-01 -1.129591008e-01 5.00 -1.083130100e-01 -1.083130100e-01 5.02 -1.039156743e-01 -1.039156743e-01 5.04 -9.975101517e-02 -9.975101517e-02 5.06 -9.580282969e-02 -9.580282969e-02 5.08 -9.205524027e-02 -9.205524027e-02 5.10 -8.849305117e-02 -8.849305117e-02 5.12 -8.510201496e-02 -8.510201496e-02 5.14 -8.186901436e-02 -8.186901436e-02 5.16 -7.878216836e-02 -7.878216836e-02 5.18 -7.583087259e-02 -7.583087259e-02 5.20 -7.300578420e-02 -7.300578420e-02 5.22 -7.029876088e-02 -7.029876088e-02 5.24 -6.770276341e-02 -6.770276341e-02 5.26 -6.521172318e-02 -6.521172318e-02 5.28 -6.282036960e-02 -6.282036960e-02 5.30 -6.052416589e-02 -6.052416589e-02 5.32 -5.831910801e-02 -5.831910801e-02 5.34 -5.620156466e-02 -5.620156466e-02 5.36 -5.416814230e-02 -5.416814230e-02 5.38 -5.221557097e-02 -5.221557097e-02 5.40 -5.034061384e-02 -5.034061384e-02 5.42 -4.854000153e-02 -4.854000153e-02 5.44 -4.681039218e-02 -4.681039218e-02 5.46 -4.514835412e-02 -4.514835412e-02 5.48 -4.355036773e-02 -4.355036773e-02 5.50 -4.201284176e-02 -4.201284176e-02 5.52 -4.053213957e-02 -4.053213957e-02 5.54 -3.910461085e-02 -3.910461085e-02 5.56 -3.772662517e-02 -3.772662517e-02 5.58 -3.639460460e-02 -3.639460460e-02 5.60 -3.510505360e-02 -3.510505360e-02 5.62 -3.385458535e-02 -3.385458535e-02 5.64 -3.263994255e-02 -3.263994255e-02 5.66 -3.145801653e-02 -3.145801653e-02 5.68 -3.030586254e-02 -3.030586254e-02 5.70 -2.918071290e-02 -2.918071290e-02 5.72 -2.807998891e-02 -2.807998891e-02 5.74 -2.700131247e-02 -2.700131247e-02 5.76 -2.594251824e-02 -2.594251824e-02 5.78 -2.490166683e-02 -2.490166683e-02 5.80 -2.387705937e-02 -2.387705937e-02 5.82 -2.286725353e-02 -2.286725353e-02 5.84 -2.187108054e-02 -2.187108054e-02 5.86 -2.088766271e-02 -2.088766271e-02 5.88 -1.991643025e-02 -1.991643025e-02 5.90 -1.895713626e-02 -1.895713626e-02 5.92 -1.800986801e-02 -1.800986801e-02 5.94 -1.707503726e-02 -1.707503726e-02 5.96 -1.615331857e-02 -1.615331857e-02 5.98 -1.524581348e-02 -1.524581348e-02 6.00 -1.435394899e-02 -1.435394899e-02