# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Farkas-D-Caro-A--Fe-Ni-Cr-Co-Cu # implementation = 2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1 # composition = CoCu2Fe # 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 -4.827356040e+02 -4.827356040e+02 1.06 -4.560014112e+02 -4.560014112e+02 1.08 -4.308466614e+02 -4.308466614e+02 1.10 -4.069470860e+02 -4.069470860e+02 1.12 -3.833680500e+02 -3.833680500e+02 1.14 -3.600102478e+02 -3.600102478e+02 1.16 -3.378260055e+02 -3.378260055e+02 1.18 -3.168214226e+02 -3.168214226e+02 1.20 -2.980378575e+02 -2.980378575e+02 1.22 -2.816879658e+02 -2.816879658e+02 1.24 -2.666734208e+02 -2.666734208e+02 1.26 -2.522493248e+02 -2.522493248e+02 1.28 -2.393559342e+02 -2.393559342e+02 1.30 -2.272384733e+02 -2.272384733e+02 1.32 -2.156098659e+02 -2.156098659e+02 1.34 -2.039665851e+02 -2.039665851e+02 1.36 -1.928362282e+02 -1.928362282e+02 1.38 -1.822813776e+02 -1.822813776e+02 1.40 -1.727694374e+02 -1.727694374e+02 1.42 -1.636047575e+02 -1.636047575e+02 1.44 -1.543459143e+02 -1.543459143e+02 1.46 -1.452298117e+02 -1.452298117e+02 1.48 -1.358897171e+02 -1.358897171e+02 1.50 -1.267284487e+02 -1.267284487e+02 1.52 -1.179713432e+02 -1.179713432e+02 1.54 -1.096043795e+02 -1.096043795e+02 1.56 -1.013914064e+02 -1.013914064e+02 1.58 -9.309343919e+01 -9.309343919e+01 1.60 -8.442614544e+01 -8.442614544e+01 1.62 -7.525498837e+01 -7.525498837e+01 1.64 -6.600241938e+01 -6.600241938e+01 1.66 -5.726676216e+01 -5.726676216e+01 1.68 -4.908067930e+01 -4.908067930e+01 1.70 -4.155742023e+01 -4.155742023e+01 1.72 -3.467679227e+01 -3.467679227e+01 1.74 -2.858363476e+01 -2.858363476e+01 1.76 -2.330635739e+01 -2.330635739e+01 1.78 -1.857442953e+01 -1.857442953e+01 1.80 -1.428773350e+01 -1.428773350e+01 1.82 -1.033726525e+01 -1.033726525e+01 1.84 -7.105154558e+00 -7.105154558e+00 1.86 -4.692335579e+00 -4.692335579e+00 1.88 -3.014886979e+00 -3.014886979e+00 1.90 -1.915234024e+00 -1.915234024e+00 1.92 -1.230649943e+00 -1.230649943e+00 1.94 -8.348645628e-01 -8.348645628e-01 1.96 -6.502430231e-01 -6.502430231e-01 1.98 -6.247058105e-01 -6.247058105e-01 2.00 -7.344860883e-01 -7.344861322e-01 2.02 -9.452864271e-01 -9.452864271e-01 2.04 -1.204802222e+00 -1.204802222e+00 2.06 -1.499921715e+00 -1.499921715e+00 2.08 -1.809516827e+00 -1.809516827e+00 2.10 -2.113863975e+00 -2.113863975e+00 2.12 -2.395664576e+00 -2.395664576e+00 2.14 -2.658302949e+00 -2.658302949e+00 2.16 -2.872945990e+00 -2.872945990e+00 2.18 -3.046156676e+00 -3.046156676e+00 2.20 -3.181955004e+00 -3.181955004e+00 2.22 -3.288061320e+00 -3.288061320e+00 2.24 -3.372803905e+00 -3.372803905e+00 2.26 -3.442335717e+00 -3.442335717e+00 2.28 -3.503186835e+00 -3.503186835e+00 2.30 -3.560752187e+00 -3.560752187e+00 2.32 -3.616499845e+00 -3.616499845e+00 2.34 -3.675432514e+00 -3.675432514e+00 2.36 -3.722966620e+00 -3.722966620e+00 2.38 -3.760868381e+00 -3.760868381e+00 2.40 -3.794380836e+00 -3.794380836e+00 2.42 -3.814455196e+00 -3.814455196e+00 2.44 -3.826011505e+00 -3.826011505e+00 2.46 -3.830056956e+00 -3.830056956e+00 2.48 -3.827164631e+00 -3.827164631e+00 2.50 -3.818544159e+00 -3.818544159e+00 2.52 -3.804871590e+00 -3.804871590e+00 2.54 -3.786416379e+00 -3.786416379e+00 2.56 -3.763999949e+00 -3.763999949e+00 2.58 -3.738423363e+00 -3.738423363e+00 2.60 -3.711629180e+00 -3.711629180e+00 2.62 -3.682938033e+00 -3.682938033e+00 2.64 -3.653504213e+00 -3.653504213e+00 2.66 -3.623798387e+00 -3.623798387e+00 2.68 -3.593951070e+00 -3.593951070e+00 2.70 -3.563866576e+00 -3.563866576e+00 2.72 -3.533334192e+00 -3.533334192e+00 2.74 -3.502063049e+00 -3.502063049e+00 2.76 -3.469726301e+00 -3.469726301e+00 2.78 -3.435907422e+00 -3.435907422e+00 2.80 -3.399927465e+00 -3.399927465e+00 2.82 -3.360992003e+00 -3.360992003e+00 2.84 -3.318427081e+00 -3.318427081e+00 2.86 -3.272074686e+00 -3.272074686e+00 2.88 -3.221977498e+00 -3.221977498e+00 2.90 -3.168759050e+00 -3.168759050e+00 2.92 -3.113542494e+00 -3.113542494e+00 2.94 -3.057647490e+00 -3.057647490e+00 2.96 -3.002246932e+00 -3.002246932e+00 2.98 -2.948113977e+00 -2.948113977e+00 3.00 -2.896523322e+00 -2.896523322e+00 3.02 -2.845859036e+00 -2.845859036e+00 3.04 -2.789957130e+00 -2.789957130e+00 3.06 -2.726171268e+00 -2.726171268e+00 3.08 -2.650932113e+00 -2.650932113e+00 3.10 -2.560378878e+00 -2.560378878e+00 3.12 -2.450274319e+00 -2.450274319e+00 3.14 -2.340421350e+00 -2.340421350e+00 3.16 -2.201335524e+00 -2.201335524e+00 3.18 -2.043465244e+00 -2.043465244e+00 3.20 -1.867233120e+00 -1.867233120e+00 3.22 -1.678125172e+00 -1.678125172e+00 3.24 -1.484919837e+00 -1.484919837e+00 3.26 -1.295185626e+00 -1.295185626e+00 3.28 -1.114992920e+00 -1.114992920e+00 3.30 -9.486491723e-01 -9.486491723e-01 3.32 -7.984876862e-01 -7.984876862e-01 3.34 -6.649013072e-01 -6.649013072e-01 3.36 -5.468303182e-01 -5.468303182e-01 3.38 -4.423534210e-01 -4.423534210e-01 3.40 -3.491911672e-01 -3.491911672e-01 3.42 -2.651599660e-01 -2.651599660e-01 3.44 -1.885057559e-01 -1.885057559e-01 3.46 -1.179524469e-01 -1.179524469e-01 3.48 -5.260234428e-02 -5.260234428e-02 3.50 8.201374405e-03 8.201374405e-03 3.52 6.499530107e-02 6.499530107e-02 3.54 1.182757258e-01 1.182757258e-01 3.56 1.685384497e-01 1.685384497e-01 3.58 2.162837533e-01 2.162837533e-01 3.60 2.620082128e-01 2.620082128e-01 3.62 3.062020251e-01 3.062020251e-01 3.64 3.493460096e-01 3.493460096e-01 3.66 3.918966392e-01 3.918966392e-01 3.68 4.269901048e-01 4.269901048e-01 3.70 4.653515532e-01 4.653515532e-01 3.72 5.029302598e-01 5.029302598e-01 3.74 5.398995159e-01 5.398995159e-01 3.76 5.764131202e-01 5.764131202e-01 3.78 6.126006984e-01 6.126006984e-01 3.80 6.485609052e-01 6.485609052e-01 3.82 6.843525283e-01 6.843525283e-01 3.84 7.199833493e-01 7.199833493e-01 3.86 7.553821987e-01 7.553821987e-01 3.88 7.902880922e-01 7.902880922e-01 3.90 8.243338773e-01 8.243338773e-01 3.92 8.571163413e-01 8.571163413e-01 3.94 8.882016106e-01 8.882016106e-01 3.96 9.171369367e-01 9.171369367e-01 3.98 9.434536503e-01 9.434536503e-01 4.00 9.666715761e-01 9.666715761e-01 4.02 9.863040320e-01 9.863040320e-01 4.04 1.001863510e+00 1.001863510e+00 4.06 1.012867794e+00 1.012867794e+00 4.08 1.018846685e+00 1.018846685e+00 4.10 1.019300730e+00 1.019300730e+00 4.12 1.013492881e+00 1.013492881e+00 4.14 1.000791578e+00 1.000791578e+00 4.16 9.807819069e-01 9.807819069e-01 4.18 9.532376092e-01 9.532376092e-01 4.20 9.180897575e-01 9.180897575e-01 4.22 8.753883829e-01 8.753883829e-01 4.24 8.252879914e-01 8.252879914e-01 4.26 7.680294320e-01 7.680294320e-01 4.28 7.039204029e-01 7.039204029e-01 4.30 6.333170629e-01 6.333170629e-01 4.32 5.566101372e-01 5.566101372e-01 4.34 4.742136516e-01 4.742136516e-01 4.36 3.865587737e-01 3.865587737e-01 4.38 2.940938581e-01 2.940938581e-01 4.40 1.972923087e-01 1.972923087e-01 4.42 9.666689535e-02 9.666689535e-02 4.44 -6.907298222e-03 -6.907298222e-03 4.46 -8.661552835e-02 -8.661552835e-02 4.48 -8.164288113e-02 -8.164288113e-02 4.50 5.473914946e-02 5.473914946e-02 4.52 3.515209508e-01 3.515209508e-01 4.54 8.228090798e-01 8.228090798e-01 4.56 1.472189286e+00 1.472189286e+00 4.58 2.293880731e+00 2.293880731e+00 4.60 3.274818177e+00 3.274818177e+00 4.62 4.402156439e+00 4.402156439e+00 4.64 5.666316216e+00 5.666316216e+00 4.66 7.062424113e+00 7.062424113e+00 4.68 8.590322716e+00 8.590322716e+00 4.70 1.025311437e+01 1.025311437e+01 4.72 1.205424830e+01 1.205424830e+01 4.74 1.399381967e+01 1.399381967e+01 4.76 1.606458982e+01 1.606458982e+01 4.78 1.824862035e+01 1.824862035e+01 4.80 2.051528730e+01 2.051528730e+01 4.82 2.282105831e+01 2.282105831e+01 4.84 2.511093831e+01 2.511093831e+01 4.86 2.732164180e+01 2.732164180e+01 4.88 2.938545249e+01 2.938545249e+01 4.90 3.123460252e+01 3.123460252e+01 4.92 3.280531228e+01 3.280531228e+01 4.94 3.404125892e+01 3.404125892e+01 4.96 3.489624020e+01 3.489624020e+01 4.98 3.533598570e+01 3.533598570e+01 5.00 3.533919152e+01 3.533919152e+01 5.02 3.489786218e+01 3.489786218e+01 5.04 3.401719009e+01 3.401719009e+01 5.06 3.271516175e+01 3.271516175e+01 5.08 3.102234662e+01 3.102234662e+01 5.10 2.898184395e+01 2.898184395e+01 5.12 2.664867184e+01 2.664867184e+01 5.14 2.408853026e+01 2.408853026e+01 5.16 2.137590580e+01 2.137590580e+01 5.18 1.859137865e+01 1.859137865e+01 5.20 1.528491698e+01 1.528491698e+01 5.22 1.248644622e+01 1.248644622e+01 5.24 9.875154635e+00 9.875154635e+00 5.26 7.528146032e+00 7.528146032e+00 5.28 5.500775079e+00 5.500775079e+00 5.30 3.823209876e+00 3.823209876e+00 5.32 2.499498097e+00 2.499498097e+00 5.34 1.509502482e+00 1.509502482e+00 5.36 8.136353808e-01 8.136353808e-01 5.38 3.597234079e-01 3.597234079e-01 5.40 9.079088946e-02 9.079088946e-02 5.42 -4.770131711e-02 -4.770131711e-02 5.44 -1.024361655e-01 -1.024361655e-01 5.46 -1.093679372e-01 -1.093679372e-01 5.48 -9.336893250e-02 -9.336893250e-02 5.50 -6.974472701e-02 -6.974472701e-02 5.52 -4.667092458e-02 -4.667092458e-02 5.54 -2.768344942e-02 -2.768344942e-02 5.56 -1.368415031e-02 -1.368415031e-02 5.58 -4.308107160e-03 -4.308107160e-03 5.60 1.295892992e-03 1.295892992e-03 5.62 4.077534590e-03 4.077534590e-03 5.64 4.918073006e-03 4.918073006e-03 5.66 4.564005401e-03 4.564005401e-03 5.68 3.605416214e-03 3.605416214e-03 5.70 2.474555707e-03 2.474555707e-03 5.72 1.453866375e-03 1.453866375e-03 5.74 6.940594934e-04 6.940594934e-04 5.76 2.368652460e-04 2.368652460e-04 5.78 3.921389318e-05 3.921389318e-05 5.80 1.380233056e-07 1.380233056e-07 5.82 -1.261448059e-05 -1.261448059e-05 5.84 -1.407015341e-04 -1.407015341e-04 5.86 -5.256328237e-04 -5.256328237e-04 5.88 -1.309028855e-03 -1.309028855e-03 5.90 -2.631389709e-03 -2.631389709e-03 5.92 -4.632152844e-03 -4.632152844e-03 5.94 -7.446698929e-03 -7.446698929e-03 5.96 -1.120358865e-02 -1.120358865e-02 5.98 -1.601799842e-02 -1.601799842e-02 6.00 -1.085022521e-02 -1.041525435e-02