# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Co-Al-Mn # implementation = 2025--Sharifi-H--Co-Al-Mn--LAMMPS--ipr1 # composition = AlCoMn2 # 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 2025-07-01 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 1.138413258e+03 1.138413258e+03 1.00 1.039128217e+03 1.039128217e+03 1.02 9.456127401e+02 9.456127401e+02 1.04 8.582611103e+02 8.582611103e+02 1.06 7.772270740e+02 7.772270740e+02 1.08 7.024875111e+02 7.024875111e+02 1.10 6.338917445e+02 6.338917445e+02 1.12 5.711996253e+02 5.711996253e+02 1.14 5.141108948e+02 5.141108948e+02 1.16 4.622877507e+02 4.622877507e+02 1.18 4.153720400e+02 4.153720400e+02 1.20 3.729982513e+02 3.729982513e+02 1.22 3.348031919e+02 3.348031919e+02 1.24 3.004330464e+02 3.004330464e+02 1.26 2.695483804e+02 2.695483804e+02 1.28 2.418275256e+02 2.418275256e+02 1.30 2.169687267e+02 2.169687267e+02 1.32 1.946908454e+02 1.946908454e+02 1.34 1.750592300e+02 1.750592300e+02 1.36 1.580993825e+02 1.580993825e+02 1.38 1.430940264e+02 1.430940264e+02 1.40 1.295837139e+02 1.295837139e+02 1.42 1.172884042e+02 1.172884042e+02 1.44 1.060366177e+02 1.060366177e+02 1.46 9.571976943e+01 9.571976943e+01 1.48 8.626360342e+01 8.626360342e+01 1.50 7.761103174e+01 7.761103174e+01 1.52 6.971239946e+01 6.971239946e+01 1.54 6.252044462e+01 6.252044462e+01 1.56 5.598811129e+01 5.598811129e+01 1.58 5.006799666e+01 5.006799666e+01 1.60 4.471264655e+01 4.471264655e+01 1.62 3.987521563e+01 3.987521563e+01 1.64 3.551020587e+01 3.551020587e+01 1.66 3.157412906e+01 3.157412906e+01 1.68 2.802602353e+01 2.802602353e+01 1.70 2.482780376e+01 2.482780376e+01 1.72 2.194445039e+01 2.194445039e+01 1.74 1.934405163e+01 1.934405163e+01 1.76 1.699774314e+01 1.699774314e+01 1.78 1.487963475e+01 1.487963475e+01 1.80 1.296663111e+01 1.296663111e+01 1.82 1.123813804e+01 1.123813804e+01 1.84 9.675832853e+00 9.675832853e+00 1.86 8.263409790e+00 8.263409790e+00 1.88 6.986339346e+00 6.986339346e+00 1.90 5.831659966e+00 5.831659966e+00 1.92 4.787765522e+00 4.787765522e+00 1.94 3.844242321e+00 3.844242321e+00 1.96 2.991726897e+00 2.991726897e+00 1.98 2.221764842e+00 2.221764842e+00 2.00 1.526709717e+00 1.526709717e+00 2.02 8.996436602e-01 8.996436602e-01 2.04 3.343075193e-01 3.343075193e-01 2.06 -1.749538567e-01 -1.749538567e-01 2.08 -6.332573861e-01 -6.332573861e-01 2.10 -1.045239904e+00 -1.045239904e+00 2.12 -1.415104634e+00 -1.415104634e+00 2.14 -1.746662999e+00 -1.746662999e+00 2.16 -2.043375585e+00 -2.043375585e+00 2.18 -2.308393480e+00 -2.308393480e+00 2.20 -2.544576344e+00 -2.544576344e+00 2.22 -2.754517531e+00 -2.754517531e+00 2.24 -2.940575855e+00 -2.940575855e+00 2.26 -3.104917960e+00 -3.104917960e+00 2.28 -3.249515515e+00 -3.249515515e+00 2.30 -3.376107315e+00 -3.376107315e+00 2.32 -3.486173499e+00 -3.486173499e+00 2.34 -3.581061182e+00 -3.581061182e+00 2.36 -3.662010540e+00 -3.662010540e+00 2.38 -3.730163956e+00 -3.730163956e+00 2.40 -3.786574319e+00 -3.786574319e+00 2.42 -3.832212242e+00 -3.832212242e+00 2.44 -3.867954425e+00 -3.867954425e+00 2.46 -3.894583563e+00 -3.894583563e+00 2.48 -3.912825358e+00 -3.912825358e+00 2.50 -3.923355498e+00 -3.923355498e+00 2.52 -3.926803287e+00 -3.926803287e+00 2.54 -3.923754953e+00 -3.923754953e+00 2.56 -3.914756675e+00 -3.914756675e+00 2.58 -3.900317358e+00 -3.900317358e+00 2.60 -3.880911153e+00 -3.880911153e+00 2.62 -3.856979767e+00 -3.856979767e+00 2.64 -3.828934559e+00 -3.828934559e+00 2.66 -3.797158449e+00 -3.797158449e+00 2.68 -3.762007669e+00 -3.762007669e+00 2.70 -3.723813344e+00 -3.723813344e+00 2.72 -3.682882972e+00 -3.682882972e+00 2.74 -3.639501788e+00 -3.639501788e+00 2.76 -3.593934066e+00 -3.593934066e+00 2.78 -3.546424368e+00 -3.546424368e+00 2.80 -3.497198774e+00 -3.497198774e+00 2.82 -3.446466088e+00 -3.446466088e+00 2.84 -3.394419035e+00 -3.394419035e+00 2.86 -3.341235425e+00 -3.341235425e+00 2.88 -3.287079287e+00 -3.287079287e+00 2.90 -3.232101919e+00 -3.232101919e+00 2.92 -3.176442865e+00 -3.176442865e+00 2.94 -3.120230783e+00 -3.120230783e+00 2.96 -3.063584200e+00 -3.063584200e+00 2.98 -3.006612163e+00 -3.006612163e+00 3.00 -2.949414797e+00 -2.949414797e+00 3.02 -2.892082383e+00 -2.892082383e+00 3.04 -2.834680905e+00 -2.834680905e+00 3.06 -2.777278797e+00 -2.777278797e+00 3.08 -2.720017472e+00 -2.720017472e+00 3.10 -2.662913447e+00 -2.662913447e+00 3.12 -2.606020805e+00 -2.606020805e+00 3.14 -2.549388264e+00 -2.549388264e+00 3.16 -2.493058577e+00 -2.493058577e+00 3.18 -2.437068870e+00 -2.437068870e+00 3.20 -2.381451000e+00 -2.381451000e+00 3.22 -2.326231902e+00 -2.326231902e+00 3.24 -2.271433951e+00 -2.271433951e+00 3.26 -2.217075330e+00 -2.217075330e+00 3.28 -2.163170407e+00 -2.163170407e+00 3.30 -2.109730121e+00 -2.109730121e+00 3.32 -2.056762380e+00 -2.056762380e+00 3.34 -2.004272478e+00 -2.004272478e+00 3.36 -1.952263509e+00 -1.952263509e+00 3.38 -1.900736808e+00 -1.900736808e+00 3.40 -1.849692396e+00 -1.849692396e+00 3.42 -1.799129431e+00 -1.799129431e+00 3.44 -1.749046686e+00 -1.749046686e+00 3.46 -1.699443027e+00 -1.699443027e+00 3.48 -1.650317918e+00 -1.650317918e+00 3.50 -1.601671940e+00 -1.601671940e+00 3.52 -1.553507334e+00 -1.553507334e+00 3.54 -1.505828552e+00 -1.505828552e+00 3.56 -1.458642824e+00 -1.458642824e+00 3.58 -1.411960713e+00 -1.411960713e+00 3.60 -1.365796640e+00 -1.365796640e+00 3.62 -1.320169356e+00 -1.320169356e+00 3.64 -1.275102323e+00 -1.275102323e+00 3.66 -1.230623967e+00 -1.230623967e+00 3.68 -1.186767769e+00 -1.186767769e+00 3.70 -1.143572160e+00 -1.143572160e+00 3.72 -1.101080179e+00 -1.101080179e+00 3.74 -1.059338904e+00 -1.059338904e+00 3.76 -1.018398618e+00 -1.018398618e+00 3.78 -9.783117533e-01 -9.783117533e-01 3.80 -9.391316201e-01 -9.391316201e-01 3.82 -9.009109835e-01 -9.009109835e-01 3.84 -8.637005405e-01 -8.637005405e-01 3.86 -8.275473739e-01 -8.275473739e-01 3.88 -7.924934613e-01 -7.924934613e-01 3.90 -7.585743187e-01 -7.585743187e-01 3.92 -7.258178507e-01 -7.258178507e-01 3.94 -6.942434669e-01 -6.942434669e-01 3.96 -6.638615104e-01 -6.638615104e-01 3.98 -6.346730197e-01 -6.346730197e-01 4.00 -6.066698276e-01 -6.066698276e-01 4.02 -5.798349804e-01 -5.798349804e-01 4.04 -5.541434403e-01 -5.541434403e-01 4.06 -5.295630229e-01 -5.295630229e-01 4.08 -5.060555098e-01 -5.060555098e-01 4.10 -4.835778737e-01 -4.835778737e-01 4.12 -4.620835506e-01 -4.620835506e-01 4.14 -4.415237009e-01 -4.415237009e-01 4.16 -4.218484055e-01 -4.218484055e-01 4.18 -4.030077552e-01 -4.030077552e-01 4.20 -3.849527996e-01 -3.849527996e-01 4.22 -3.676363361e-01 -3.676363361e-01 4.24 -3.510135267e-01 -3.510135267e-01 4.26 -3.346758098e-01 -3.346758098e-01 4.28 -3.110404383e-01 -3.110404383e-01 4.30 -2.540172329e-01 -2.540172329e-01 4.32 -1.145103748e-01 -1.145103748e-01 4.34 -3.671604429e-02 -3.671604429e-02 4.36 -2.913583409e-02 -2.913583409e-02 4.38 -2.190884495e-02 -2.190884495e-02 4.40 -1.501525139e-02 -1.501525139e-02 4.42 -8.437381630e-03 -8.437381630e-03 4.44 -2.159425072e-03 -2.159425072e-03 4.46 3.832846478e-03 3.832846478e-03 4.48 9.552334456e-03 9.552334456e-03 4.50 1.501083990e-02 1.501083990e-02 4.52 2.021925758e-02 2.021925758e-02 4.54 2.518773730e-02 2.518773730e-02 4.56 2.992581410e-02 2.992581410e-02 4.58 3.444251001e-02 3.444251001e-02 4.60 3.874641130e-02 3.874641130e-02 4.62 4.284572537e-02 4.284572537e-02 4.64 4.674832137e-02 4.674832137e-02 4.66 5.046175845e-02 5.046175845e-02 4.68 5.399330521e-02 5.399330521e-02 4.70 5.734995301e-02 5.734995301e-02 4.72 6.053842560e-02 6.053842560e-02 4.74 6.356518676e-02 6.356518676e-02 4.76 6.643644712e-02 6.643644712e-02 4.78 6.915817108e-02 6.915817108e-02 4.80 7.173608423e-02 7.173608423e-02 4.82 7.417568147e-02 7.417568147e-02 4.84 7.648223587e-02 7.648223587e-02 4.86 7.866080819e-02 7.866080819e-02 4.88 8.071625680e-02 8.071625680e-02 4.90 8.265324783e-02 8.265324783e-02 4.92 8.420544212e-02 8.420544212e-02 4.94 8.182290144e-02 8.182290144e-02 4.96 6.647399900e-02 6.647399900e-02 4.98 3.106196561e-02 3.106196561e-02 5.00 -1.144374045e-22 -1.143618940e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00