# 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 = MgPd2Pt # 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 3.566062387e+02 3.566062387e+02 1.30 3.312240114e+02 3.312240114e+02 1.32 3.076272031e+02 3.076272031e+02 1.34 2.856804398e+02 2.856804398e+02 1.36 2.652619392e+02 2.652619392e+02 1.38 2.462586392e+02 2.462586392e+02 1.40 2.285640180e+02 2.285640180e+02 1.42 2.120786938e+02 2.120786938e+02 1.44 1.967113756e+02 1.967113756e+02 1.46 1.823788192e+02 1.823788192e+02 1.48 1.690050904e+02 1.690050904e+02 1.50 1.565206137e+02 1.565206137e+02 1.52 1.448610002e+02 1.448610002e+02 1.54 1.339659382e+02 1.339659382e+02 1.56 1.237788071e+02 1.237788071e+02 1.58 1.142471325e+02 1.142471325e+02 1.60 1.053231843e+02 1.053231843e+02 1.62 9.696398228e+01 9.696398228e+01 1.64 8.913063943e+01 8.913063943e+01 1.66 8.178760153e+01 8.178760153e+01 1.68 7.491217500e+01 7.491217500e+01 1.70 6.855096455e+01 6.855096455e+01 1.72 6.268678224e+01 6.268678224e+01 1.74 5.728255120e+01 5.728255120e+01 1.76 5.230338948e+01 5.230338948e+01 1.78 4.771602638e+01 4.771602638e+01 1.80 4.348898445e+01 4.348898445e+01 1.82 3.959305642e+01 3.959305642e+01 1.84 3.600157535e+01 3.600157535e+01 1.86 3.269030666e+01 3.269030666e+01 1.88 2.963711925e+01 2.963711925e+01 1.90 2.682169293e+01 2.682169293e+01 1.92 2.422537930e+01 2.422537930e+01 1.94 2.183116159e+01 2.183116159e+01 1.96 1.962358934e+01 1.962358934e+01 1.98 1.758863312e+01 1.758863312e+01 2.00 1.571349221e+01 1.571349221e+01 2.02 1.398640761e+01 1.398640761e+01 2.04 1.239651006e+01 1.239651006e+01 2.06 1.093370620e+01 1.093370620e+01 2.08 9.588595290e+00 9.588595290e+00 2.10 8.352407128e+00 8.352407128e+00 2.12 7.216958219e+00 7.216958219e+00 2.14 6.174624870e+00 6.174624870e+00 2.16 5.218332297e+00 5.218332297e+00 2.18 4.341552080e+00 4.341552080e+00 2.20 3.538298977e+00 3.538298977e+00 2.22 2.803116621e+00 2.803116621e+00 2.24 2.131051869e+00 2.131051869e+00 2.26 1.517619011e+00 1.517619011e+00 2.28 9.587556388e-01 9.587556388e-01 2.30 4.507714567e-01 4.507714567e-01 2.32 -9.711378369e-03 -9.711378369e-03 2.34 -4.258217822e-01 -4.258217822e-01 2.36 -8.005045430e-01 -8.005045430e-01 2.38 -1.136578109e+00 -1.136578109e+00 2.40 -1.437138575e+00 -1.437138575e+00 2.42 -1.706090594e+00 -1.706090594e+00 2.44 -1.945787025e+00 -1.945787025e+00 2.46 -2.158444680e+00 -2.158444680e+00 2.48 -2.346288467e+00 -2.346288467e+00 2.50 -2.511526260e+00 -2.511526260e+00 2.52 -2.656314634e+00 -2.656314634e+00 2.54 -2.782713338e+00 -2.782713338e+00 2.56 -2.892632055e+00 -2.892632055e+00 2.58 -2.987779876e+00 -2.987779876e+00 2.60 -3.069630806e+00 -3.069630806e+00 2.62 -3.139414625e+00 -3.139414625e+00 2.64 -3.198134905e+00 -3.198134905e+00 2.66 -3.247008714e+00 -3.247008714e+00 2.68 -3.286948759e+00 -3.286948759e+00 2.70 -3.318196425e+00 -3.318196425e+00 2.72 -3.341000664e+00 -3.341000664e+00 2.74 -3.355625452e+00 -3.355625452e+00 2.76 -3.362351372e+00 -3.362351372e+00 2.78 -3.361475423e+00 -3.361475423e+00 2.80 -3.353312357e+00 -3.353312357e+00 2.82 -3.338199123e+00 -3.338199123e+00 2.84 -3.316541991e+00 -3.316541991e+00 2.86 -3.288825490e+00 -3.288825490e+00 2.88 -3.255570644e+00 -3.255570644e+00 2.90 -3.217343172e+00 -3.217343172e+00 2.92 -3.174757977e+00 -3.174757977e+00 2.94 -3.128473719e+00 -3.128473719e+00 2.96 -3.079175946e+00 -3.079175946e+00 2.98 -3.027549975e+00 -3.027549975e+00 3.00 -2.974247760e+00 -2.974247760e+00 3.02 -2.919855072e+00 -2.919855072e+00 3.04 -2.864865411e+00 -2.864865411e+00 3.06 -2.809666962e+00 -2.809666962e+00 3.08 -2.754540243e+00 -2.754540243e+00 3.10 -2.699670113e+00 -2.699670113e+00 3.12 -2.645163541e+00 -2.645163541e+00 3.14 -2.591071429e+00 -2.591071429e+00 3.16 -2.537416608e+00 -2.537416608e+00 3.18 -2.484261657e+00 -2.484261657e+00 3.20 -2.431665408e+00 -2.431665408e+00 3.22 -2.379663616e+00 -2.379663616e+00 3.24 -2.328280117e+00 -2.328280117e+00 3.26 -2.277534080e+00 -2.277534080e+00 3.28 -2.227444332e+00 -2.227444332e+00 3.30 -2.178031573e+00 -2.178031573e+00 3.32 -2.129319091e+00 -2.129319091e+00 3.34 -2.081336657e+00 -2.081336657e+00 3.36 -2.034123985e+00 -2.034123985e+00 3.38 -1.987696063e+00 -1.987696063e+00 3.40 -1.942067039e+00 -1.942067039e+00 3.42 -1.897251942e+00 -1.897251942e+00 3.44 -1.853265415e+00 -1.853265415e+00 3.46 -1.810121024e+00 -1.810121024e+00 3.48 -1.767830514e+00 -1.767830514e+00 3.50 -1.726403185e+00 -1.726403185e+00 3.52 -1.685844668e+00 -1.685844668e+00 3.54 -1.646144090e+00 -1.646144090e+00 3.56 -1.607275881e+00 -1.607275881e+00 3.58 -1.569214388e+00 -1.569214388e+00 3.60 -1.531933540e+00 -1.531933540e+00 3.62 -1.495406078e+00 -1.495406078e+00 3.64 -1.459602997e+00 -1.459602997e+00 3.66 -1.424493179e+00 -1.424493179e+00 3.68 -1.390043258e+00 -1.390043258e+00 3.70 -1.356217707e+00 -1.356217707e+00 3.72 -1.322979144e+00 -1.322979144e+00 3.74 -1.290288852e+00 -1.290288852e+00 3.76 -1.258107463e+00 -1.258107463e+00 3.78 -1.226395750e+00 -1.226395750e+00 3.80 -1.195115459e+00 -1.195115459e+00 3.82 -1.164230089e+00 -1.164230089e+00 3.84 -1.133705554e+00 -1.133705554e+00 3.86 -1.103510675e+00 -1.103510675e+00 3.88 -1.073617493e+00 -1.073617493e+00 3.90 -1.044001429e+00 -1.044001429e+00 3.92 -1.014641332e+00 -1.014641332e+00 3.94 -9.855198593e-01 -9.855198593e-01 3.96 -9.566233797e-01 -9.566233797e-01 3.98 -9.279427686e-01 -9.279427686e-01 4.00 -8.994741145e-01 -8.994741145e-01 4.02 -8.712197274e-01 -8.712197274e-01 4.04 -8.431892737e-01 -8.431892737e-01 4.06 -8.154008785e-01 -8.154008785e-01 4.08 -7.878819964e-01 -7.878819964e-01 4.10 -7.606695816e-01 -7.606695816e-01 4.12 -7.338109465e-01 -7.338109465e-01 4.14 -7.073610732e-01 -7.073610732e-01 4.16 -6.813819767e-01 -6.813819767e-01 4.18 -6.559397544e-01 -6.559397544e-01 4.20 -6.311013143e-01 -6.311013143e-01 4.22 -6.069307183e-01 -6.069307183e-01 4.24 -5.834854727e-01 -5.834854727e-01 4.26 -5.608131240e-01 -5.608131240e-01 4.28 -5.389484982e-01 -5.389484982e-01 4.30 -5.179118410e-01 -5.179118410e-01 4.32 -4.977080004e-01 -4.977080004e-01 4.34 -4.783266529e-01 -4.783266529e-01 4.36 -4.597434505e-01 -4.597434505e-01 4.38 -4.419218724e-01 -4.419218724e-01 4.40 -4.248155206e-01 -4.248155206e-01 4.42 -4.083706038e-01 -4.083706038e-01 4.44 -3.925283941e-01 -3.925283941e-01 4.46 -3.772275053e-01 -3.772275053e-01 4.48 -3.624059082e-01 -3.624059082e-01 4.50 -3.480026574e-01 -3.480026574e-01 4.52 -3.339593508e-01 -3.339593508e-01 4.54 -3.202213665e-01 -3.202213665e-01 4.56 -3.067389351e-01 -3.067389351e-01 4.58 -2.934680994e-01 -2.934680994e-01 4.60 -2.803715998e-01 -2.803715998e-01 4.62 -2.674197022e-01 -2.674197022e-01 4.64 -2.545909604e-01 -2.545909604e-01 4.66 -2.418728782e-01 -2.418728782e-01 4.68 -2.292624137e-01 -2.292624137e-01 4.70 -2.167662532e-01 -2.167662532e-01 4.72 -2.044007747e-01 -2.044007747e-01 4.74 -1.921916269e-01 -1.921916269e-01 4.76 -1.801728704e-01 -1.801728704e-01 4.78 -1.683856613e-01 -1.683856613e-01 4.80 -1.568763009e-01 -1.568763009e-01 4.82 -1.456949489e-01 -1.456949489e-01 4.84 -1.348919613e-01 -1.348919613e-01 4.86 -1.245163454e-01 -1.245163454e-01 4.88 -1.146131449e-01 -1.146131449e-01 4.90 -1.052213193e-01 -1.052213193e-01 4.92 -9.637203055e-02 -9.637203055e-02 4.94 -8.808745335e-02 -8.808745335e-02 4.96 -8.038014794e-02 -8.038014794e-02 4.98 -7.325302218e-02 -7.325302218e-02 5.00 -6.669983387e-02 -6.669983387e-02 5.02 -6.070611234e-02 -6.070611234e-02 5.04 -5.524989207e-02 -5.524989207e-02 5.06 -5.030371361e-02 -5.030371361e-02 5.08 -4.583713628e-02 -4.583713628e-02 5.10 -4.181667245e-02 -4.181667245e-02 5.12 -3.820719355e-02 -3.820719355e-02 5.14 -3.497327186e-02 -3.497327186e-02 5.16 -3.208013578e-02 -3.208013578e-02 5.18 -2.949386326e-02 -2.949386326e-02 5.20 -2.718241581e-02 -2.718241581e-02 5.22 -2.511598386e-02 -2.511598386e-02 5.24 -2.326716554e-02 -2.326716554e-02 5.26 -2.161102496e-02 -2.161102496e-02 5.28 -2.012506584e-02 -2.012506584e-02 5.30 -1.878914367e-02 -1.878914367e-02 5.32 -1.758533449e-02 -1.758533449e-02 5.34 -1.649777678e-02 -1.649777678e-02 5.36 -1.551249902e-02 -1.551249902e-02 5.38 -1.461724242e-02 -1.461724242e-02 5.40 -1.380128572e-02 -1.380128572e-02 5.42 -1.305527648e-02 -1.305527648e-02 5.44 -1.237105789e-02 -1.237105789e-02 5.46 -1.174152396e-02 -1.174152396e-02 5.48 -1.116053328e-02 -1.116053328e-02 5.50 -1.062274618e-02 -1.062274618e-02 5.52 -1.012351426e-02 -1.012351426e-02 5.54 -9.658783605e-03 -9.658783605e-03 5.56 -9.225009904e-03 -9.225009904e-03 5.58 -8.819084645e-03 -8.819084645e-03 5.60 -8.438271773e-03 -8.438271773e-03 5.62 -8.080153790e-03 -8.080153790e-03 5.64 -7.742586272e-03 -7.742586272e-03 5.66 -7.423659690e-03 -7.423659690e-03 5.68 -7.121667432e-03 -7.121667432e-03 5.70 -6.835078986e-03 -6.835078986e-03 5.72 -6.562517344e-03 -6.562517344e-03 5.74 -6.302739835e-03 -6.302739835e-03 5.76 -6.054621746e-03 -6.054621746e-03 5.78 -5.817142205e-03 -5.817142205e-03 5.80 -5.589371965e-03 -5.589371965e-03 5.82 -5.370462799e-03 -5.370462799e-03 5.84 -5.159638322e-03 -5.159638322e-03 5.86 -4.956186107e-03 -4.956186107e-03 5.88 -4.759451014e-03 -4.759451014e-03 5.90 -4.568829671e-03 -4.568829671e-03 5.92 -4.383766094e-03 -4.383766094e-03 5.94 -4.203748400e-03 -4.203748400e-03 5.96 -4.028306621e-03 -4.028306621e-03 5.98 -3.857011586e-03 -3.857011586e-03 6.00 -3.689474845e-03 -3.689474845e-03