# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2011--Zhou-X-W-Doty-F-P-Yang-P--Li-Na-K-Rb-Cs-F-Cl-Br-I # implementation = 2011--Zhou-X-W--Li-Na-K-Rb-Cs-F-Cl-Br-I--LAMMPS--ipr1 # composition = Cl2LiRb # 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 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 nan nan 1.30 1.962646396e+06 1.962646396e+06 1.32 nan nan 1.34 1.233148899e+06 1.233148899e+06 1.36 9.825123269e+05 9.825123269e+05 1.38 7.854011447e+05 7.854011447e+05 1.40 6.298453506e+05 6.298453506e+05 1.42 5.066693426e+05 5.066693426e+05 1.44 4.088130390e+05 4.088130390e+05 1.46 3.308239203e+05 3.308239203e+05 1.48 2.684757241e+05 2.684757241e+05 1.50 2.184815332e+05 2.184815332e+05 1.52 1.782758537e+05 1.782758537e+05 1.54 1.458498713e+05 1.458498713e+05 1.56 1.196257595e+05 1.196257595e+05 1.58 9.835992619e+04 9.835992619e+04 1.60 8.106946672e+04 8.106946672e+04 1.62 6.697522147e+04 6.697522147e+04 1.64 5.545765198e+04 5.545765198e+04 1.66 4.602275291e+04 4.602275291e+04 1.68 3.827557992e+04 3.827557992e+04 1.70 3.189955665e+04 3.189955665e+04 1.72 2.664014769e+04 2.664014769e+04 1.74 2.229223084e+04 2.229223084e+04 1.76 1.869012305e+04 1.869012305e+04 1.78 1.569965124e+04 1.569965124e+04 1.80 1.321191289e+04 1.321191289e+04 1.82 1.113823993e+04 1.113823993e+04 1.84 9.406356023e+03 9.406356023e+03 1.86 7.957179672e+03 7.957179672e+03 1.88 6.742319650e+03 6.742319650e+03 1.90 5.722059048e+03 5.722059048e+03 1.92 4.863703643e+03 4.863703643e+03 1.94 4.140320511e+03 4.140320511e+03 1.96 3.529662332e+03 3.529662332e+03 1.98 3.013317974e+03 3.013317974e+03 2.00 2.576023691e+03 2.576023691e+03 2.02 2.205115705e+03 2.205115705e+03 2.04 1.890022145e+03 1.890022145e+03 2.06 1.621944595e+03 1.621944595e+03 2.08 1.393538218e+03 1.393538218e+03 2.10 1.198656074e+03 1.198656074e+03 2.12 1.032147588e+03 1.032147588e+03 2.14 8.896898704e+02 8.896898704e+02 2.16 7.676511245e+02 7.676511245e+02 2.18 6.629731926e+02 6.629731926e+02 2.20 5.730700817e+02 5.730700817e+02 2.22 4.957612981e+02 4.957612981e+02 2.24 4.292031248e+02 4.292031248e+02 2.26 3.718342735e+02 3.718342735e+02 2.28 3.223306441e+02 3.223306441e+02 2.30 2.795676978e+02 2.795676978e+02 2.32 2.425885625e+02 2.425885625e+02 2.34 2.105767264e+02 2.105767264e+02 2.36 1.828403586e+02 1.828403586e+02 2.38 1.587847547e+02 1.587847547e+02 2.40 1.379023341e+02 1.379023341e+02 2.42 1.197594528e+02 1.197594528e+02 2.44 1.039838496e+02 1.039838496e+02 2.46 9.025608653e+01 9.025608653e+01 2.48 7.830174008e+01 7.830174008e+01 2.50 6.788474359e+01 6.788474359e+01 2.52 5.880177128e+01 5.880177128e+01 2.54 5.087752249e+01 5.087752249e+01 2.56 4.395942645e+01 4.395942645e+01 2.58 3.791817129e+01 3.791817129e+01 2.60 3.264057549e+01 3.264057549e+01 2.62 2.803021720e+01 2.803021720e+01 2.64 2.400053141e+01 2.400053141e+01 2.66 2.047785114e+01 2.047785114e+01 2.68 1.739817072e+01 1.739817072e+01 2.70 1.470585657e+01 1.470585657e+01 2.72 1.235236955e+01 1.235236955e+01 2.74 1.029548848e+01 1.029548848e+01 2.76 8.498332012e+00 8.498332012e+00 2.78 6.928596696e+00 6.928596696e+00 2.80 5.558471193e+00 5.558471193e+00 2.82 4.363405659e+00 4.363405659e+00 2.84 3.321923801e+00 3.321923801e+00 2.86 2.414954419e+00 2.414954419e+00 2.88 1.626353668e+00 1.626353668e+00 2.90 9.417409686e-01 9.417409686e-01 2.92 3.484655180e-01 3.484655180e-01 2.94 -1.644383781e-01 -1.644383781e-01 2.96 -6.067999446e-01 -6.067999446e-01 2.98 -9.870105347e-01 -9.870105347e-01 3.00 -1.312817890e+00 -1.312817890e+00 3.02 -1.590580439e+00 -1.590580439e+00 3.04 -1.826018067e+00 -1.826018067e+00 3.06 -2.024145922e+00 -2.024145922e+00 3.08 -2.189363406e+00 -2.189363406e+00 3.10 -2.325535605e+00 -2.325535605e+00 3.12 -2.436059441e+00 -2.436059441e+00 3.14 -2.524033503e+00 -2.524033503e+00 3.16 -2.591969842e+00 -2.591969842e+00 3.18 -2.642224432e+00 -2.642224432e+00 3.20 -2.676869934e+00 -2.676869934e+00 3.22 -2.697720603e+00 -2.697720603e+00 3.24 -2.706423668e+00 -2.706423668e+00 3.26 -2.704453482e+00 -2.704453482e+00 3.28 -2.693124946e+00 -2.693124946e+00 3.30 -2.673972948e+00 -2.673972948e+00 3.32 -2.647739848e+00 -2.647739848e+00 3.34 -2.615316439e+00 -2.615316439e+00 3.36 -2.577719116e+00 -2.577719116e+00 3.38 -2.535658706e+00 -2.535658706e+00 3.40 -2.489863182e+00 -2.489863182e+00 3.42 -2.441016257e+00 -2.441016257e+00 3.44 -2.389737144e+00 -2.389737144e+00 3.46 -2.336585295e+00 -2.336585295e+00 3.48 -2.282064363e+00 -2.282064363e+00 3.50 -2.226634191e+00 -2.226634191e+00 3.52 -2.170698660e+00 -2.170698660e+00 3.54 -2.114603336e+00 -2.114603336e+00 3.56 -2.058659192e+00 -2.058659192e+00 3.58 -2.003131210e+00 -2.003131210e+00 3.60 -1.948248195e+00 -1.948248195e+00 3.62 -1.894202055e+00 -1.894202055e+00 3.64 -1.841236460e+00 -1.841236460e+00 3.66 -1.789388515e+00 -1.789388515e+00 3.68 -1.738745327e+00 -1.738745327e+00 3.70 -1.689379417e+00 -1.689379417e+00 3.72 -1.641420645e+00 -1.641420645e+00 3.74 -1.594821160e+00 -1.594821160e+00 3.76 -1.549571284e+00 -1.549571284e+00 3.78 -1.505666904e+00 -1.505666904e+00 3.80 -1.463093343e+00 -1.463093343e+00 3.82 -1.421831495e+00 -1.421831495e+00 3.84 -1.381849316e+00 -1.381849316e+00 3.86 -1.343108150e+00 -1.343108150e+00 3.88 -1.305564847e+00 -1.305564847e+00 3.90 -1.269173235e+00 -1.269173235e+00 3.92 -1.233885358e+00 -1.233885358e+00 3.94 -1.199652488e+00 -1.199652488e+00 3.96 -1.166425927e+00 -1.166425927e+00 3.98 -1.134157635e+00 -1.134157635e+00 4.00 -1.102800680e+00 -1.102800680e+00 4.02 -1.072309563e+00 -1.072309563e+00 4.04 -1.043101797e+00 -1.043101797e+00 4.06 -1.014634235e+00 -1.014634235e+00 4.08 -9.868080351e-01 -9.868080351e-01 4.10 -9.596031361e-01 -9.596031361e-01 4.12 -9.329983140e-01 -9.329983140e-01 4.14 -9.069714653e-01 -9.069714653e-01 4.16 -8.814998710e-01 -8.814998710e-01 4.18 -8.565604436e-01 -8.565604436e-01 4.20 -8.321299568e-01 -8.321299568e-01 4.22 -8.081852602e-01 -8.081852602e-01 4.24 -7.847034788e-01 -7.847034788e-01 4.26 -7.616621996e-01 -7.616621996e-01 4.28 -7.390396458e-01 -7.390396458e-01 4.30 -7.168148395e-01 -7.168148395e-01 4.32 -6.949677537e-01 -6.949677537e-01 4.34 -6.734791895e-01 -6.734791895e-01 4.36 -6.523316486e-01 -6.523316486e-01 4.38 -6.315088777e-01 -6.315088777e-01 4.40 -6.109959743e-01 -6.109959743e-01 4.42 -5.907796005e-01 -5.907796005e-01 4.44 -5.708480752e-01 -5.708480752e-01 4.46 -5.511914531e-01 -5.511914531e-01 4.48 -5.318015907e-01 -5.318015907e-01 4.50 -5.127224218e-01 -5.127224218e-01 4.52 -4.940812764e-01 -4.940812764e-01 4.54 -4.756600538e-01 -4.756600538e-01 4.56 -4.574598554e-01 -4.574598554e-01 4.58 -4.394861331e-01 -4.394861331e-01 4.60 -4.217456961e-01 -4.217456961e-01 4.62 -4.042463923e-01 -4.042463923e-01 4.64 -3.869960014e-01 -3.869960014e-01 4.66 -3.700116267e-01 -3.700116267e-01 4.68 -3.533002071e-01 -3.533002071e-01 4.70 -3.368745758e-01 -3.368745758e-01 4.72 -3.207484255e-01 -3.207484255e-01 4.74 -3.049361458e-01 -3.049361458e-01 4.76 -2.894526427e-01 -2.894526427e-01 4.78 -2.743131430e-01 -2.743131430e-01 4.80 -2.595329877e-01 -2.595329877e-01 4.82 -2.451274170e-01 -2.451274170e-01 4.84 -2.311113520e-01 -2.311113520e-01 4.86 -2.174991763e-01 -2.174991763e-01 4.88 -2.043045225e-01 -2.043045225e-01 4.90 -1.915400663e-01 -1.915400663e-01 4.92 -1.792173336e-01 -1.792173336e-01 4.94 -1.673465231e-01 -1.673465231e-01 4.96 -1.559358787e-01 -1.559358787e-01 4.98 -1.449928890e-01 -1.449928890e-01 5.00 -1.345230457e-01 -1.345230457e-01 5.02 -1.245298791e-01 -1.245298791e-01 5.04 -1.150150398e-01 -1.150150398e-01 5.06 -1.059782665e-01 -1.059782665e-01 5.08 -9.741738244e-02 -9.741738244e-02 5.10 -8.932831755e-02 -8.932831755e-02 5.12 -8.170515750e-02 -8.170515750e-02 5.14 -7.454021630e-02 -7.454021630e-02 5.16 -6.782413111e-02 -6.782413111e-02 5.18 -6.154597671e-02 -6.154597671e-02 5.20 -5.569339673e-02 -5.569339673e-02 5.22 -5.025274880e-02 -5.025274880e-02 5.24 -4.520926036e-02 -4.520926036e-02 5.26 -4.054719217e-02 -4.054719217e-02 5.28 -3.625000618e-02 -3.625000618e-02 5.30 -3.230053483e-02 -3.230053483e-02 5.32 -2.868114898e-02 -2.868114898e-02 5.34 -2.537392161e-02 -2.537392161e-02 5.36 -2.236078513e-02 -2.236078513e-02 5.38 -1.962368009e-02 -1.962368009e-02 5.40 -1.714469356e-02 -1.714469356e-02 5.42 -1.490618582e-02 -1.490618582e-02 5.44 -1.289090421e-02 -1.289090421e-02 5.46 -1.108208349e-02 -1.108208349e-02 5.48 -9.463532292e-03 -9.463532292e-03 5.50 -8.019705493e-03 -8.019705493e-03 5.52 -6.735762856e-03 -6.735762856e-03 5.54 -5.597614195e-03 -5.597614195e-03 5.56 -4.591951813e-03 -4.591951813e-03 5.58 -3.706270975e-03 -3.706270975e-03 5.60 -2.928879400e-03 -2.928879400e-03 5.62 -2.248896788e-03 -2.248896788e-03 5.64 -1.656245528e-03 -1.656245528e-03 5.66 -1.141633725e-03 -1.141633725e-03 5.68 -6.965316885e-04 -6.965316885e-04 5.70 -4.461948124e-04 -4.461948124e-04 5.72 -3.324134893e-04 -3.324134893e-04 5.74 -2.325972668e-04 -2.325972668e-04 5.76 -1.453332409e-04 -1.453332409e-04 5.78 -6.932466347e-05 -6.932466347e-05 5.80 -3.042688860e-05 -3.042688860e-05 5.82 -2.809836238e-05 -2.809836238e-05 5.84 -2.593395668e-05 -2.593395668e-05 5.86 -2.392257915e-05 -2.392257915e-05 5.88 -2.205389856e-05 -2.205389856e-05 5.90 -2.031829015e-05 -2.031829015e-05 5.92 -1.870678489e-05 -1.870678489e-05 5.94 -1.721102220e-05 -1.721102220e-05 5.96 -1.582320617e-05 -1.582320617e-05 5.98 -1.459310275e-05 -1.459310275e-05 6.00 -1.360128229e-05 -1.360128229e-05