# 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 = CoMoPd2 # 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 2.796105873e+02 2.796105873e+02 1.30 2.587993765e+02 2.587993765e+02 1.32 2.395228524e+02 2.395228524e+02 1.34 2.216587481e+02 2.216587481e+02 1.36 2.050978834e+02 2.050978834e+02 1.38 1.897413187e+02 1.897413187e+02 1.40 1.754979937e+02 1.754979937e+02 1.42 1.622830121e+02 1.622830121e+02 1.44 1.500170877e+02 1.500170877e+02 1.46 1.386269394e+02 1.386269394e+02 1.48 1.280454490e+02 1.280454490e+02 1.50 1.182109916e+02 1.182109916e+02 1.52 1.090665561e+02 1.090665561e+02 1.54 1.005592915e+02 1.005592915e+02 1.56 9.264037166e+01 9.264037166e+01 1.58 8.526482610e+01 8.526482610e+01 1.60 7.839128490e+01 7.839128490e+01 1.62 7.198179696e+01 7.198179696e+01 1.64 6.600176543e+01 6.600176543e+01 1.66 6.041984198e+01 6.041984198e+01 1.68 5.520763561e+01 5.520763561e+01 1.70 5.034076101e+01 5.034076101e+01 1.72 4.579781333e+01 4.579781333e+01 1.74 4.158456223e+01 4.158456223e+01 1.76 3.769154044e+01 3.769154044e+01 1.78 3.409701398e+01 3.409701398e+01 1.80 3.078118650e+01 3.078118650e+01 1.82 2.772581345e+01 2.772581345e+01 1.84 2.491369661e+01 2.491369661e+01 1.86 2.232823054e+01 2.232823054e+01 1.88 1.995314420e+01 1.995314420e+01 1.90 1.777249707e+01 1.777249707e+01 1.92 1.577089346e+01 1.577089346e+01 1.94 1.393379500e+01 1.393379500e+01 1.96 1.224777940e+01 1.224777940e+01 1.98 1.070063892e+01 1.070063892e+01 2.00 9.281309559e+00 9.281309559e+00 2.02 7.979702603e+00 7.979702603e+00 2.04 6.786524915e+00 6.786524915e+00 2.06 5.693138463e+00 5.693138463e+00 2.08 4.691471244e+00 4.691471244e+00 2.10 3.773975316e+00 3.773975316e+00 2.12 2.933623801e+00 2.933623801e+00 2.14 2.163934520e+00 2.163934520e+00 2.16 1.459002266e+00 1.459002266e+00 2.18 8.135200750e-01 8.135200750e-01 2.20 2.227747193e-01 2.227747193e-01 2.22 -3.173887463e-01 -3.173887463e-01 2.24 -8.106283877e-01 -8.106283877e-01 2.26 -1.260181441e+00 -1.260181441e+00 2.28 -1.668943163e+00 -1.668943163e+00 2.30 -2.039540115e+00 -2.039540115e+00 2.32 -2.374393838e+00 -2.374393838e+00 2.34 -2.675773737e+00 -2.675773737e+00 2.36 -2.945839276e+00 -2.945839276e+00 2.38 -3.186668481e+00 -3.186668481e+00 2.40 -3.400148041e+00 -3.400148041e+00 2.42 -3.588324445e+00 -3.588324445e+00 2.44 -3.753306208e+00 -3.753306208e+00 2.46 -3.897132395e+00 -3.897132395e+00 2.48 -4.021763510e+00 -4.021763510e+00 2.50 -4.129057944e+00 -4.129057944e+00 2.52 -4.220738131e+00 -4.220738131e+00 2.54 -4.298328239e+00 -4.298328239e+00 2.56 -4.363005750e+00 -4.363005750e+00 2.58 -4.415708704e+00 -4.415708704e+00 2.60 -4.457220571e+00 -4.457220571e+00 2.62 -4.488248104e+00 -4.488248104e+00 2.64 -4.509429559e+00 -4.509429559e+00 2.66 -4.521343733e+00 -4.521343733e+00 2.68 -4.524621004e+00 -4.524621004e+00 2.70 -4.520356196e+00 -4.520356196e+00 2.72 -4.508771416e+00 -4.508771416e+00 2.74 -4.489913653e+00 -4.489913653e+00 2.76 -4.463887451e+00 -4.463887451e+00 2.78 -4.430852276e+00 -4.430852276e+00 2.80 -4.391016631e+00 -4.391016631e+00 2.82 -4.344635286e+00 -4.344635286e+00 2.84 -4.292011249e+00 -4.292011249e+00 2.86 -4.233547491e+00 -4.233547491e+00 2.88 -4.169753654e+00 -4.169753654e+00 2.90 -4.101175148e+00 -4.101175148e+00 2.92 -4.028386402e+00 -4.028386402e+00 2.94 -3.951982371e+00 -3.951982371e+00 2.96 -3.872564230e+00 -3.872564230e+00 2.98 -3.790721460e+00 -3.790721460e+00 3.00 -3.707013372e+00 -3.707013372e+00 3.02 -3.621952664e+00 -3.621952664e+00 3.04 -3.535992576e+00 -3.535992576e+00 3.06 -3.449518100e+00 -3.449518100e+00 3.08 -3.362841322e+00 -3.362841322e+00 3.10 -3.276200952e+00 -3.276200952e+00 3.12 -3.189766166e+00 -3.189766166e+00 3.14 -3.103644525e+00 -3.103644525e+00 3.16 -3.017893131e+00 -3.017893131e+00 3.18 -2.932531710e+00 -2.932531710e+00 3.20 -2.847556232e+00 -2.847556232e+00 3.22 -2.762951937e+00 -2.762951937e+00 3.24 -2.678705087e+00 -2.678705087e+00 3.26 -2.594813155e+00 -2.594813155e+00 3.28 -2.511293348e+00 -2.511293348e+00 3.30 -2.428189388e+00 -2.428189388e+00 3.32 -2.345576448e+00 -2.345576448e+00 3.34 -2.263563999e+00 -2.263563999e+00 3.36 -2.182296297e+00 -2.182296297e+00 3.38 -2.101950281e+00 -2.101950281e+00 3.40 -2.022730801e+00 -2.022730801e+00 3.42 -1.944863305e+00 -1.944863305e+00 3.44 -1.868584417e+00 -1.868584417e+00 3.46 -1.794131134e+00 -1.794131134e+00 3.48 -1.721729540e+00 -1.721729540e+00 3.50 -1.651584065e+00 -1.651584065e+00 3.52 -1.583868248e+00 -1.583868248e+00 3.54 -1.518717781e+00 -1.518717781e+00 3.56 -1.456226276e+00 -1.456226276e+00 3.58 -1.396443903e+00 -1.396443903e+00 3.60 -1.339378677e+00 -1.339378677e+00 3.62 -1.284999958e+00 -1.284999958e+00 3.64 -1.233243552e+00 -1.233243552e+00 3.66 -1.184017766e+00 -1.184017766e+00 3.68 -1.137209825e+00 -1.137209825e+00 3.70 -1.092692134e+00 -1.092692134e+00 3.72 -1.050328024e+00 -1.050328024e+00 3.74 -1.009976730e+00 -1.009976730e+00 3.76 -9.714974978e-01 -9.714974978e-01 3.78 -9.347527888e-01 -9.347527888e-01 3.80 -8.996106351e-01 -8.996106351e-01 3.82 -8.659462559e-01 -8.659462559e-01 3.84 -8.336430630e-01 -8.336430630e-01 3.86 -8.025932015e-01 -8.025932015e-01 3.88 -7.726977695e-01 -7.726977695e-01 3.90 -7.438668483e-01 -7.438668483e-01 3.92 -7.160194523e-01 -7.160194523e-01 3.94 -6.890834795e-01 -6.890834795e-01 3.96 -6.629957089e-01 -6.629957089e-01 3.98 -6.377018580e-01 -6.377018580e-01 4.00 -6.131566668e-01 -6.131566668e-01 4.02 -5.893239459e-01 -5.893239459e-01 4.04 -5.661764924e-01 -5.661764924e-01 4.06 -5.436957681e-01 -5.436957681e-01 4.08 -5.218712411e-01 -5.218712411e-01 4.10 -5.006993268e-01 -5.006993268e-01 4.12 -4.801819314e-01 -4.801819314e-01 4.14 -4.603246566e-01 -4.603246566e-01 4.16 -4.411348246e-01 -4.411348246e-01 4.18 -4.226195008e-01 -4.226195008e-01 4.20 -4.047837140e-01 -4.047837140e-01 4.22 -3.876290316e-01 -3.876290316e-01 4.24 -3.711525699e-01 -3.711525699e-01 4.26 -3.553464392e-01 -3.553464392e-01 4.28 -3.401975504e-01 -3.401975504e-01 4.30 -3.256876807e-01 -3.256876807e-01 4.32 -3.117937025e-01 -3.117937025e-01 4.34 -2.984879168e-01 -2.984879168e-01 4.36 -2.857384781e-01 -2.857384781e-01 4.38 -2.735099240e-01 -2.735099240e-01 4.40 -2.617638345e-01 -2.617638345e-01 4.42 -2.504596251e-01 -2.504596251e-01 4.44 -2.395554573e-01 -2.395554573e-01 4.46 -2.290092259e-01 -2.290092259e-01 4.48 -2.187795733e-01 -2.187795733e-01 4.50 -2.088268857e-01 -2.088268857e-01 4.52 -1.991142383e-01 -1.991142383e-01 4.54 -1.896082710e-01 -1.896082710e-01 4.56 -1.802799876e-01 -1.802799876e-01 4.58 -1.711054756e-01 -1.711054756e-01 4.60 -1.620665358e-01 -1.620665358e-01 4.62 -1.531512059e-01 -1.531512059e-01 4.64 -1.443541388e-01 -1.443541388e-01 4.66 -1.356767966e-01 -1.356767966e-01 4.68 -1.271274043e-01 -1.271274043e-01 4.70 -1.187206128e-01 -1.187206128e-01 4.72 -1.104768379e-01 -1.104768379e-01 4.74 -1.024212684e-01 -1.024212684e-01 4.76 -9.458257263e-02 -9.458257263e-02 4.78 -8.699137536e-02 -8.699137536e-02 4.80 -7.967861536e-02 -7.967861536e-02 4.82 -7.267390894e-02 -7.267390894e-02 4.84 -6.600405399e-02 -6.600405399e-02 4.86 -5.969179753e-02 -5.969179753e-02 4.88 -5.375494026e-02 -5.375494026e-02 4.90 -4.820581887e-02 -4.820581887e-02 4.92 -4.305113470e-02 -4.305113470e-02 4.94 -3.829209208e-02 -3.829209208e-02 4.96 -3.392468236e-02 -3.392468236e-02 4.98 -2.994030236e-02 -2.994030236e-02 5.00 -2.632647840e-02 -2.632647840e-02 5.02 -2.306736953e-02 -2.306736953e-02 5.04 -2.014414970e-02 -2.014414970e-02 5.06 -1.753607556e-02 -1.753607556e-02 5.08 -1.522134980e-02 -1.522134980e-02 5.10 -1.317715021e-02 -1.317715021e-02 5.12 -1.138023853e-02 -1.138023853e-02 5.14 -9.807500171e-03 -9.807500171e-03 5.16 -8.436403612e-03 -8.436403612e-03 5.18 -7.245373676e-03 -7.245373676e-03 5.20 -6.214076341e-03 -6.214076341e-03 5.22 -5.323617316e-03 -5.323617316e-03 5.24 -4.556660976e-03 -4.556660976e-03 5.26 -3.897479797e-03 -3.897479797e-03 5.28 -3.331946475e-03 -3.331946475e-03 5.30 -2.847481611e-03 -2.847481611e-03 5.32 -2.432969334e-03 -2.432969334e-03 5.34 -2.078651906e-03 -2.078651906e-03 5.36 -1.776012566e-03 -1.776012566e-03 5.38 -1.517653959e-03 -1.517653959e-03 5.40 -1.297177651e-03 -1.297177651e-03 5.42 -1.109068604e-03 -1.109068604e-03 5.44 -9.485871374e-04 -9.485871374e-04 5.46 -8.116698013e-04 -8.116698013e-04 5.48 -6.948398308e-04 -6.948398308e-04 5.50 -5.951272209e-04 -5.951272209e-04 5.52 -5.099981030e-04 -5.099981030e-04 5.54 -4.372928401e-04 -4.372928401e-04 5.56 -3.751721235e-04 -3.751721235e-04 5.58 -3.220702894e-04 -3.220702894e-04 5.60 -2.766550690e-04 -2.766550690e-04 5.62 -2.377930112e-04 -2.377930112e-04 5.64 -2.045198647e-04 -2.045198647e-04 5.66 -1.760152714e-04 -1.760152714e-04 5.68 -1.515811829e-04 -1.515811829e-04 5.70 -1.306234812e-04 -1.306234812e-04 5.72 -1.126363470e-04 -1.126363470e-04 5.74 -9.718897612e-05 -9.718897612e-05 5.76 -8.391429887e-05 -8.391429887e-05 5.78 -7.249940552e-05 -7.249940552e-05 5.80 -6.267742128e-05 -6.267742128e-05 5.82 -5.422061280e-05 -5.422061280e-05 5.84 -4.693453946e-05 -4.693453946e-05 5.86 -4.065309065e-05 -4.065309065e-05 5.88 -3.523427403e-05 -3.523427403e-05 5.90 -3.055664028e-05 -3.055664028e-05 5.92 -2.651624701e-05 -2.651624701e-05 5.94 -2.302407972e-05 -2.302407972e-05 5.96 -2.000385988e-05 -2.000385988e-05 5.98 -1.739018134e-05 -1.739018134e-05 6.00 -1.512692498e-05 -1.512692498e-05