# 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 = AlPt2W # 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 3.655827107e+02 3.655827107e+02 1.30 3.414584316e+02 3.414584316e+02 1.32 3.188843999e+02 3.188843999e+02 1.34 2.977506857e+02 2.977506857e+02 1.36 2.779699603e+02 2.779699603e+02 1.38 2.594673977e+02 2.594673977e+02 1.40 2.421728116e+02 2.421728116e+02 1.42 2.260163663e+02 2.260163663e+02 1.44 2.109256595e+02 2.109256595e+02 1.46 1.968256812e+02 1.968256812e+02 1.48 1.836424416e+02 1.836424416e+02 1.50 1.713060094e+02 1.713060094e+02 1.52 1.597500938e+02 1.597500938e+02 1.54 1.489104639e+02 1.489104639e+02 1.56 1.387249554e+02 1.387249554e+02 1.58 1.291348764e+02 1.291348764e+02 1.60 1.200863557e+02 1.200863557e+02 1.62 1.115311422e+02 1.115311422e+02 1.64 1.034272954e+02 1.034272954e+02 1.66 9.573996079e+01 9.573996079e+01 1.68 8.844172565e+01 8.844172565e+01 1.70 8.151199694e+01 8.151199694e+01 1.72 7.493540785e+01 7.493540785e+01 1.74 6.869968701e+01 6.869968701e+01 1.76 6.279360966e+01 6.279360966e+01 1.78 5.720592111e+01 5.720592111e+01 1.80 5.192534905e+01 5.192534905e+01 1.82 4.694054156e+01 4.694054156e+01 1.84 4.225856694e+01 4.225856694e+01 1.86 3.796846275e+01 3.796846275e+01 1.88 3.406019110e+01 3.406019110e+01 1.90 3.050445266e+01 3.050445266e+01 1.92 2.727155221e+01 2.727155221e+01 1.94 2.433152746e+01 2.433152746e+01 1.96 2.165511589e+01 2.165511589e+01 1.98 1.921505132e+01 1.921505132e+01 2.00 1.698699481e+01 1.698699481e+01 2.02 1.494976295e+01 1.494976295e+01 2.04 1.308500738e+01 1.308500738e+01 2.06 1.137669917e+01 1.137669917e+01 2.08 9.810662590e+00 9.810662590e+00 2.10 8.374221931e+00 8.374221931e+00 2.12 7.055939476e+00 7.055939476e+00 2.14 5.845429010e+00 5.845429010e+00 2.16 4.733248428e+00 4.733248428e+00 2.18 3.710864859e+00 3.710864859e+00 2.20 2.770658378e+00 2.770658378e+00 2.22 1.905918851e+00 1.905918851e+00 2.24 1.110805366e+00 1.110805366e+00 2.26 3.802640706e-01 3.802640706e-01 2.28 -2.900812876e-01 -2.900812876e-01 2.30 -9.040473193e-01 -9.040473193e-01 2.32 -1.465003990e+00 -1.465003990e+00 2.34 -1.975976580e+00 -1.975976580e+00 2.36 -2.439736307e+00 -2.439736307e+00 2.38 -2.858881816e+00 -2.858881816e+00 2.40 -3.235913441e+00 -3.235913441e+00 2.42 -3.573299529e+00 -3.573299529e+00 2.44 -3.873530680e+00 -3.873530680e+00 2.46 -4.139096902e+00 -4.139096902e+00 2.48 -4.372614214e+00 -4.372614214e+00 2.50 -4.576832846e+00 -4.576832846e+00 2.52 -4.754514430e+00 -4.754514430e+00 2.54 -4.908369878e+00 -4.908369878e+00 2.56 -5.040983337e+00 -5.040983337e+00 2.58 -5.154736363e+00 -5.154736363e+00 2.60 -5.251748489e+00 -5.251748489e+00 2.62 -5.333828489e+00 -5.333828489e+00 2.64 -5.402887558e+00 -5.402887558e+00 2.66 -5.461982197e+00 -5.461982197e+00 2.68 -5.511582049e+00 -5.511582049e+00 2.70 -5.551836579e+00 -5.551836579e+00 2.72 -5.582875595e+00 -5.582875595e+00 2.74 -5.604822412e+00 -5.604822412e+00 2.76 -5.617804430e+00 -5.617804430e+00 2.78 -5.621960370e+00 -5.621960370e+00 2.80 -5.617444892e+00 -5.617444892e+00 2.82 -5.604432194e+00 -5.604432194e+00 2.84 -5.583120870e+00 -5.583120870e+00 2.86 -5.553741813e+00 -5.553741813e+00 2.88 -5.516570071e+00 -5.516570071e+00 2.90 -5.472246458e+00 -5.472246458e+00 2.92 -5.421896630e+00 -5.421896630e+00 2.94 -5.365667077e+00 -5.365667077e+00 2.96 -5.303765432e+00 -5.303765432e+00 2.98 -5.236522725e+00 -5.236522725e+00 3.00 -5.164371526e+00 -5.164371526e+00 3.02 -5.087813240e+00 -5.087813240e+00 3.04 -5.007389026e+00 -5.007389026e+00 3.06 -4.923657159e+00 -4.923657159e+00 3.08 -4.837131395e+00 -4.837131395e+00 3.10 -4.748254287e+00 -4.748254287e+00 3.12 -4.657386933e+00 -4.657386933e+00 3.14 -4.564808023e+00 -4.564808023e+00 3.16 -4.470719967e+00 -4.470719967e+00 3.18 -4.375260253e+00 -4.375260253e+00 3.20 -4.278515970e+00 -4.278515970e+00 3.22 -4.180539947e+00 -4.180539947e+00 3.24 -4.081367180e+00 -4.081367180e+00 3.26 -3.981030553e+00 -3.981030553e+00 3.28 -3.879575187e+00 -3.879575187e+00 3.30 -3.777070955e+00 -3.777070955e+00 3.32 -3.673622783e+00 -3.673622783e+00 3.34 -3.569378389e+00 -3.569378389e+00 3.36 -3.464533046e+00 -3.464533046e+00 3.38 -3.359330998e+00 -3.359330998e+00 3.40 -3.254063224e+00 -3.254063224e+00 3.42 -3.149061466e+00 -3.149061466e+00 3.44 -3.044717825e+00 -3.044717825e+00 3.46 -2.941672580e+00 -2.941672580e+00 3.48 -2.840624215e+00 -2.840624215e+00 3.50 -2.742175023e+00 -2.742175023e+00 3.52 -2.646817841e+00 -2.646817841e+00 3.54 -2.554929440e+00 -2.554929440e+00 3.56 -2.466770209e+00 -2.466770209e+00 3.58 -2.382489872e+00 -2.382489872e+00 3.60 -2.302138212e+00 -2.302138212e+00 3.62 -2.225679293e+00 -2.225679293e+00 3.64 -2.153007523e+00 -2.153007523e+00 3.66 -2.083964025e+00 -2.083964025e+00 3.68 -2.018352076e+00 -2.018352076e+00 3.70 -1.955950783e+00 -1.955950783e+00 3.72 -1.896526542e+00 -1.896526542e+00 3.74 -1.839842173e+00 -1.839842173e+00 3.76 -1.785663829e+00 -1.785663829e+00 3.78 -1.733765980e+00 -1.733765980e+00 3.80 -1.683934761e+00 -1.683934761e+00 3.82 -1.635970074e+00 -1.635970074e+00 3.84 -1.589686712e+00 -1.589686712e+00 3.86 -1.544914814e+00 -1.544914814e+00 3.88 -1.501499848e+00 -1.501499848e+00 3.90 -1.459302304e+00 -1.459302304e+00 3.92 -1.418197223e+00 -1.418197223e+00 3.94 -1.378073702e+00 -1.378073702e+00 3.96 -1.338834356e+00 -1.338834356e+00 3.98 -1.300394925e+00 -1.300394925e+00 4.00 -1.262683945e+00 -1.262683945e+00 4.02 -1.225642551e+00 -1.225642551e+00 4.04 -1.189224367e+00 -1.189224367e+00 4.06 -1.153395439e+00 -1.153395439e+00 4.08 -1.118134119e+00 -1.118134119e+00 4.10 -1.083430787e+00 -1.083430787e+00 4.12 -1.049287342e+00 -1.049287342e+00 4.14 -1.015716197e+00 -1.015716197e+00 4.16 -9.827389375e-01 -9.827389375e-01 4.18 -9.503844777e-01 -9.503844777e-01 4.20 -9.186868484e-01 -9.186868484e-01 4.22 -8.876827581e-01 -8.876827581e-01 4.24 -8.574090999e-01 -8.574090999e-01 4.26 -8.279005718e-01 -8.279005718e-01 4.28 -7.991875388e-01 -7.991875388e-01 4.30 -7.712941969e-01 -7.712941969e-01 4.32 -7.442370529e-01 -7.442370529e-01 4.34 -7.180237005e-01 -7.180237005e-01 4.36 -6.926518853e-01 -6.926518853e-01 4.38 -6.681088727e-01 -6.681088727e-01 4.40 -6.443711619e-01 -6.443711619e-01 4.42 -6.214045972e-01 -6.214045972e-01 4.44 -5.991649111e-01 -5.991649111e-01 4.46 -5.775986976e-01 -5.775986976e-01 4.48 -5.566447741e-01 -5.566447741e-01 4.50 -5.362358536e-01 -5.362358536e-01 4.52 -5.163004352e-01 -5.163004352e-01 4.54 -4.967648243e-01 -4.967648243e-01 4.56 -4.775552135e-01 -4.775552135e-01 4.58 -4.585997809e-01 -4.585997809e-01 4.60 -4.398307880e-01 -4.398307880e-01 4.62 -4.211866745e-01 -4.211866745e-01 4.64 -4.026141481e-01 -4.026141481e-01 4.66 -3.840702562e-01 -3.840702562e-01 4.68 -3.655243950e-01 -3.655243950e-01 4.70 -3.469601799e-01 -3.469601799e-01 4.72 -3.283770523e-01 -3.283770523e-01 4.74 -3.097914661e-01 -3.097914661e-01 4.76 -2.912374697e-01 -2.912374697e-01 4.78 -2.727665007e-01 -2.727665007e-01 4.80 -2.544462354e-01 -2.544462354e-01 4.82 -2.363584493e-01 -2.363584493e-01 4.84 -2.185958039e-01 -2.185958039e-01 4.86 -2.012578321e-01 -2.012578321e-01 4.88 -1.844462723e-01 -1.844462723e-01 4.90 -1.682601477e-01 -1.682601477e-01 4.92 -1.527909881e-01 -1.527909881e-01 4.94 -1.381185953e-01 -1.381185953e-01 4.96 -1.243076898e-01 -1.243076898e-01 4.98 -1.114056668e-01 -1.114056668e-01 5.00 -9.944155527e-02 -9.944155527e-02 5.02 -8.842613795e-02 -8.842613795e-02 5.04 -7.835308098e-02 -7.835308098e-02 5.06 -6.920084286e-02 -6.920084286e-02 5.08 -6.093510070e-02 -6.093510070e-02 5.10 -5.351143383e-02 -5.351143383e-02 5.12 -4.687803731e-02 -4.687803731e-02 5.14 -4.097829397e-02 -4.097829397e-02 5.16 -3.575305315e-02 -3.575305315e-02 5.18 -3.114258586e-02 -3.114258586e-02 5.20 -2.708815479e-02 -2.708815479e-02 5.22 -2.353321713e-02 -2.353321713e-02 5.24 -2.042428972e-02 -2.042428972e-02 5.26 -1.771147904e-02 -1.771147904e-02 5.28 -1.534963901e-02 -1.534963901e-02 5.30 -1.329681767e-02 -1.329681767e-02 5.32 -1.151475676e-02 -1.151475676e-02 5.34 -9.969318852e-03 -9.969318852e-03 5.36 -8.630210914e-03 -8.630210914e-03 5.38 -7.470675696e-03 -7.470675696e-03 5.40 -6.467171990e-03 -6.467171990e-03 5.42 -5.599057812e-03 -5.599057812e-03 5.44 -4.848285725e-03 -4.848285725e-03 5.46 -4.199116003e-03 -4.199116003e-03 5.48 -3.637850885e-03 -3.637850885e-03 5.50 -3.152591454e-03 -3.152591454e-03 5.52 -2.733017463e-03 -2.733017463e-03 5.54 -2.370189587e-03 -2.370189587e-03 5.56 -2.056373086e-03 -2.056373086e-03 5.58 -1.784881453e-03 -1.784881453e-03 5.60 -1.549938505e-03 -1.549938505e-03 5.62 -1.346557247e-03 -1.346557247e-03 5.64 -1.170433866e-03 -1.170433866e-03 5.66 -1.017855244e-03 -1.017855244e-03 5.68 -8.856184948e-04 -8.856184948e-04 5.70 -7.709610987e-04 -7.709610987e-04 5.72 -6.715003742e-04 -6.715003742e-04 5.74 -5.851811080e-04 -5.851811080e-04 5.76 -5.102303081e-04 -5.102303081e-04 5.78 -4.451181536e-04 -4.451181536e-04 5.80 -3.885243213e-04 -3.885243213e-04 5.82 -3.393089679e-04 -3.393089679e-04 5.84 -2.964877385e-04 -2.964877385e-04 5.86 -2.592102504e-04 -2.592102504e-04 5.88 -2.267415743e-04 -2.267415743e-04 5.90 -1.984462968e-04 -1.984462968e-04 5.92 -1.737748071e-04 -1.737748071e-04 5.94 -1.522514955e-04 -1.522514955e-04 5.96 -1.334645975e-04 -1.334645975e-04 5.98 -1.170574517e-04 -1.170574517e-04 6.00 -1.027209746e-04 -1.027209746e-04