# 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 = AuNiTa2 # 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 3.151614584e+02 3.151614584e+02 1.30 2.921033489e+02 2.921033489e+02 1.32 2.707691464e+02 2.707691464e+02 1.34 2.510216706e+02 2.510216706e+02 1.36 2.327320564e+02 2.327320564e+02 1.38 2.157807163e+02 2.157807163e+02 1.40 2.000582384e+02 2.000582384e+02 1.42 1.854652714e+02 1.854652714e+02 1.44 1.719116364e+02 1.719116364e+02 1.46 1.593153153e+02 1.593153153e+02 1.48 1.476017584e+02 1.476017584e+02 1.50 1.367034764e+02 1.367034764e+02 1.52 1.265595566e+02 1.265595566e+02 1.54 1.171148404e+02 1.171148404e+02 1.56 1.083188415e+02 1.083188415e+02 1.58 1.001247660e+02 1.001247660e+02 1.60 9.248897515e+01 9.248897515e+01 1.62 8.537090664e+01 8.537090664e+01 1.64 7.873316477e+01 7.873316477e+01 1.66 7.254149643e+01 7.254149643e+01 1.68 6.676459730e+01 6.676459730e+01 1.70 6.137385181e+01 6.137385181e+01 1.72 5.634307560e+01 5.634307560e+01 1.74 5.164822843e+01 5.164822843e+01 1.76 4.726704690e+01 4.726704690e+01 1.78 4.317863563e+01 4.317863563e+01 1.80 3.936314896e+01 3.936314896e+01 1.82 3.580166870e+01 3.580166870e+01 1.84 3.247625553e+01 3.247625553e+01 1.86 2.937497466e+01 2.937497466e+01 1.88 2.648730028e+01 2.648730028e+01 1.90 2.379883674e+01 2.379883674e+01 1.92 2.130516518e+01 2.130516518e+01 1.94 1.899563232e+01 1.899563232e+01 1.96 1.685786612e+01 1.685786612e+01 1.98 1.488054663e+01 1.488054663e+01 2.00 1.305324299e+01 1.305324299e+01 2.02 1.136621563e+01 1.136621563e+01 2.04 9.810234349e+00 9.810234349e+00 2.06 8.376464550e+00 8.376464550e+00 2.08 7.056439392e+00 7.056439392e+00 2.10 5.842097567e+00 5.842097567e+00 2.12 4.725847323e+00 4.725847323e+00 2.14 3.700621353e+00 3.700621353e+00 2.16 2.759902323e+00 2.759902323e+00 2.18 1.897713794e+00 1.897713794e+00 2.20 1.108580539e+00 1.108580539e+00 2.22 3.874657002e-01 3.874657002e-01 2.24 -2.703076714e-01 -2.703076714e-01 2.26 -8.691429860e-01 -8.691429860e-01 2.28 -1.413254610e+00 -1.413254610e+00 2.30 -1.906737565e+00 -1.906737565e+00 2.32 -2.353608324e+00 -2.353608324e+00 2.34 -2.757805911e+00 -2.757805911e+00 2.36 -3.123151195e+00 -3.123151195e+00 2.38 -3.453274680e+00 -3.453274680e+00 2.40 -3.751534298e+00 -3.751534298e+00 2.42 -4.020948289e+00 -4.020948289e+00 2.44 -4.264161558e+00 -4.264161558e+00 2.46 -4.483450617e+00 -4.483450617e+00 2.48 -4.680759981e+00 -4.680759981e+00 2.50 -4.857756690e+00 -4.857756690e+00 2.52 -5.015791106e+00 -5.015791106e+00 2.54 -5.156036271e+00 -5.156036271e+00 2.56 -5.279902203e+00 -5.279902203e+00 2.58 -5.388673596e+00 -5.388673596e+00 2.60 -5.483526536e+00 -5.483526536e+00 2.62 -5.565548810e+00 -5.565548810e+00 2.64 -5.635748566e+00 -5.635748566e+00 2.66 -5.695055973e+00 -5.695055973e+00 2.68 -5.744173692e+00 -5.744173692e+00 2.70 -5.783418678e+00 -5.783418678e+00 2.72 -5.813105686e+00 -5.813105686e+00 2.74 -5.833588302e+00 -5.833588302e+00 2.76 -5.845239185e+00 -5.845239185e+00 2.78 -5.848433947e+00 -5.848433947e+00 2.80 -5.843538770e+00 -5.843538770e+00 2.82 -5.830902669e+00 -5.830902669e+00 2.84 -5.810854936e+00 -5.810854936e+00 2.86 -5.783704956e+00 -5.783704956e+00 2.88 -5.749748953e+00 -5.749748953e+00 2.90 -5.709275471e+00 -5.709275471e+00 2.92 -5.662569764e+00 -5.662569764e+00 2.94 -5.609916541e+00 -5.609916541e+00 2.96 -5.551600763e+00 -5.551600763e+00 2.98 -5.487906727e+00 -5.487906727e+00 3.00 -5.419160466e+00 -5.419160466e+00 3.02 -5.345597233e+00 -5.345597233e+00 3.04 -5.267325837e+00 -5.267325837e+00 3.06 -5.184474901e+00 -5.184474901e+00 3.08 -5.097192419e+00 -5.097192419e+00 3.10 -5.005643521e+00 -5.005643521e+00 3.12 -4.910011136e+00 -4.910011136e+00 3.14 -4.810499704e+00 -4.810499704e+00 3.16 -4.707341706e+00 -4.707341706e+00 3.18 -4.600804257e+00 -4.600804257e+00 3.20 -4.491196088e+00 -4.491196088e+00 3.22 -4.378880735e+00 -4.378880735e+00 3.24 -4.264282516e+00 -4.264282516e+00 3.26 -4.147886599e+00 -4.147886599e+00 3.28 -4.030232599e+00 -4.030232599e+00 3.30 -3.911901026e+00 -3.911901026e+00 3.32 -3.793492986e+00 -3.793492986e+00 3.34 -3.675604729e+00 -3.675604729e+00 3.36 -3.558799638e+00 -3.558799638e+00 3.38 -3.443580873e+00 -3.443580873e+00 3.40 -3.330367836e+00 -3.330367836e+00 3.42 -3.219479095e+00 -3.219479095e+00 3.44 -3.111123289e+00 -3.111123289e+00 3.46 -3.005398417e+00 -3.005398417e+00 3.48 -2.902298728e+00 -2.902298728e+00 3.50 -2.801727696e+00 -2.801727696e+00 3.52 -2.703515158e+00 -2.703515158e+00 3.54 -2.607436699e+00 -2.607436699e+00 3.56 -2.513233616e+00 -2.513233616e+00 3.58 -2.420632246e+00 -2.420632246e+00 3.60 -2.329361840e+00 -2.329361840e+00 3.62 -2.239170581e+00 -2.239170581e+00 3.64 -2.149839563e+00 -2.149839563e+00 3.66 -2.061194735e+00 -2.061194735e+00 3.68 -1.973116773e+00 -1.973116773e+00 3.70 -1.885548804e+00 -1.885548804e+00 3.72 -1.798501752e+00 -1.798501752e+00 3.74 -1.712056934e+00 -1.712056934e+00 3.76 -1.626365490e+00 -1.626365490e+00 3.78 -1.541644208e+00 -1.541644208e+00 3.80 -1.458167484e+00 -1.458167484e+00 3.82 -1.376255440e+00 -1.376255440e+00 3.84 -1.296258602e+00 -1.296258602e+00 3.86 -1.218540003e+00 -1.218540003e+00 3.88 -1.143455962e+00 -1.143455962e+00 3.90 -1.071337086e+00 -1.071337086e+00 3.92 -1.002471111e+00 -1.002471111e+00 3.94 -9.370890619e-01 -9.370890619e-01 3.96 -8.753557870e-01 -8.753557870e-01 3.98 -8.173654236e-01 -8.173654236e-01 4.00 -7.631417181e-01 -7.631417181e-01 4.02 -7.126426093e-01 -7.126426093e-01 4.04 -6.657680994e-01 -6.657680994e-01 4.06 -6.223702586e-01 -6.223702586e-01 4.08 -5.822642214e-01 -5.822642214e-01 4.10 -5.452391871e-01 -5.452391871e-01 4.12 -5.110686863e-01 -5.110686863e-01 4.14 -4.795196042e-01 -4.795196042e-01 4.16 -4.503597417e-01 -4.503597417e-01 4.18 -4.233638281e-01 -4.233638281e-01 4.20 -3.983180645e-01 -3.983180645e-01 4.22 -3.750233463e-01 -3.750233463e-01 4.24 -3.532973492e-01 -3.532973492e-01 4.26 -3.329756752e-01 -3.329756752e-01 4.28 -3.139122439e-01 -3.139122439e-01 4.30 -2.959790998e-01 -2.959790998e-01 4.32 -2.790657823e-01 -2.790657823e-01 4.34 -2.630783813e-01 -2.630783813e-01 4.36 -2.479383724e-01 -2.479383724e-01 4.38 -2.335812906e-01 -2.335812906e-01 4.40 -2.199552756e-01 -2.199552756e-01 4.42 -2.070194886e-01 -2.070194886e-01 4.44 -1.947423715e-01 -1.947423715e-01 4.46 -1.830995877e-01 -1.830995877e-01 4.48 -1.720725627e-01 -1.720725627e-01 4.50 -1.616461137e-01 -1.616461137e-01 4.52 -1.518063348e-01 -1.518063348e-01 4.54 -1.425387977e-01 -1.425387977e-01 4.56 -1.338268717e-01 -1.338268717e-01 4.58 -1.256510472e-01 -1.256510472e-01 4.60 -1.179883211e-01 -1.179883211e-01 4.62 -1.108118806e-01 -1.108118806e-01 4.64 -1.040915221e-01 -1.040915221e-01 4.66 -9.779439705e-02 -9.779439705e-02 4.68 -9.188596806e-02 -9.188596806e-02 4.70 -8.633105910e-02 -8.633105910e-02 4.72 -8.109489742e-02 -8.109489742e-02 4.74 -7.614407299e-02 -7.614407299e-02 4.76 -7.144736783e-02 -7.144736783e-02 4.78 -6.697643177e-02 -6.697643177e-02 4.80 -6.270629733e-02 -6.270629733e-02 4.82 -5.861574094e-02 -5.861574094e-02 4.84 -5.468748755e-02 -5.468748755e-02 4.86 -5.090827939e-02 -5.090827939e-02 4.88 -4.726879831e-02 -4.726879831e-02 4.90 -4.376345280e-02 -4.376345280e-02 4.92 -4.039003560e-02 -4.039003560e-02 4.94 -3.714925315e-02 -3.714925315e-02 4.96 -3.404414421e-02 -3.404414421e-02 4.98 -3.107941602e-02 -3.107941602e-02 5.00 -2.826073041e-02 -2.826073041e-02 5.02 -2.559397509e-02 -2.559397509e-02 5.04 -2.308458076e-02 -2.308458076e-02 5.06 -2.073692499e-02 -2.073692499e-02 5.08 -1.855386045e-02 -1.855386045e-02 5.10 -1.653625517e-02 -1.653625517e-02 5.12 -1.468288881e-02 -1.468288881e-02 5.14 -1.299094384e-02 -1.299094384e-02 5.16 -1.145565639e-02 -1.145565639e-02 5.18 -1.007054155e-02 -1.007054155e-02 5.20 -8.827710044e-03 -8.827710044e-03 5.22 -7.718218712e-03 -7.718218712e-03 5.24 -6.732424048e-03 -6.732424048e-03 5.26 -5.860314223e-03 -5.860314223e-03 5.28 -5.091802706e-03 -5.091802706e-03 5.30 -4.416973689e-03 -4.416973689e-03 5.32 -3.826275740e-03 -3.826275740e-03 5.34 -3.310664857e-03 -3.310664857e-03 5.36 -2.861701348e-03 -2.861701348e-03 5.38 -2.471606866e-03 -2.471606866e-03 5.40 -2.133288686e-03 -2.133288686e-03 5.42 -1.840338341e-03 -1.840338341e-03 5.44 -1.587011139e-03 -1.587011139e-03 5.46 -1.368192298e-03 -1.368192298e-03 5.48 -1.179354429e-03 -1.179354429e-03 5.50 -1.016510173e-03 -1.016510173e-03 5.52 -8.761628973e-04 -8.761628973e-04 5.54 -7.552576046e-04 -7.552576046e-04 5.56 -6.511335504e-04 -6.511335504e-04 5.58 -5.614795637e-04 -5.614795637e-04 5.60 -4.842926671e-04 -4.842926671e-04 5.62 -4.178402874e-04 -4.178402874e-04 5.64 -3.606261376e-04 -3.606261376e-04 5.66 -3.113596962e-04 -3.113596962e-04 5.68 -2.689291114e-04 -2.689291114e-04 5.70 -2.323772972e-04 -2.323772972e-04 5.72 -2.008809568e-04 -2.008809568e-04 5.74 -1.737322522e-04 -1.737322522e-04 5.76 -1.503228485e-04 -1.503228485e-04 5.78 -1.301300637e-04 -1.301300637e-04 5.80 -1.127048803e-04 -1.127048803e-04 5.82 -9.766158827e-05 -9.766158827e-05 5.84 -8.466885371e-05 -8.466885371e-05 5.86 -7.344202827e-05 -7.344202827e-05 5.88 -6.373653476e-05 -6.373653476e-05 5.90 -5.534218360e-05 -5.534218360e-05 5.92 -4.807829295e-05 -4.807829295e-05 5.94 -4.178950128e-05 -4.178950128e-05 5.96 -3.634217565e-05 -3.634217565e-05 5.98 -3.162133208e-05 -3.162133208e-05 6.00 -2.752799529e-05 -2.752799529e-05