# 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 = Fe2MgW # 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 3.422089432e+02 3.422089432e+02 1.30 3.141028980e+02 3.141028980e+02 1.32 2.882915809e+02 2.882915809e+02 1.34 2.645729510e+02 2.645729510e+02 1.36 2.427630753e+02 2.427630753e+02 1.38 2.226953838e+02 2.226953838e+02 1.40 2.042203151e+02 2.042203151e+02 1.42 1.872047958e+02 1.872047958e+02 1.44 1.715310498e+02 1.715310498e+02 1.46 1.570946388e+02 1.570946388e+02 1.48 1.438020385e+02 1.438020385e+02 1.50 1.315682237e+02 1.315682237e+02 1.52 1.203146815e+02 1.203146815e+02 1.54 1.099680859e+02 1.099680859e+02 1.56 1.004596324e+02 1.004596324e+02 1.58 9.172481580e+01 9.172481580e+01 1.60 8.370335707e+01 8.370335707e+01 1.62 7.633907579e+01 7.633907579e+01 1.64 6.957965797e+01 6.957965797e+01 1.66 6.337635904e+01 6.337635904e+01 1.68 5.768388325e+01 5.768388325e+01 1.70 5.246052976e+01 5.246052976e+01 1.72 4.766674235e+01 4.766674235e+01 1.74 4.326559229e+01 4.326559229e+01 1.76 3.922255327e+01 3.922255327e+01 1.78 3.550624748e+01 3.550624748e+01 1.80 3.208834333e+01 3.208834333e+01 1.82 2.894336588e+01 2.894336588e+01 1.84 2.604862820e+01 2.604862820e+01 1.86 2.338409648e+01 2.338409648e+01 1.88 2.093214911e+01 2.093214911e+01 1.90 1.867721906e+01 1.867721906e+01 1.92 1.660535243e+01 1.660535243e+01 1.94 1.470376217e+01 1.470376217e+01 1.96 1.296045622e+01 1.296045622e+01 1.98 1.136399160e+01 1.136399160e+01 2.00 9.903357744e+00 9.903357744e+00 2.02 8.567960690e+00 8.567960690e+00 2.04 7.347667052e+00 7.347667052e+00 2.06 6.232867301e+00 6.232867301e+00 2.08 5.214529570e+00 5.214529570e+00 2.10 4.284234767e+00 4.284234767e+00 2.12 3.434197069e+00 3.434197069e+00 2.14 2.657278279e+00 2.657278279e+00 2.16 1.946999134e+00 1.946999134e+00 2.18 1.297539251e+00 1.297539251e+00 2.20 7.037682349e-01 7.037682349e-01 2.22 1.611795511e-01 1.611795511e-01 2.24 -3.344987530e-01 -3.344987530e-01 2.26 -7.870335822e-01 -7.870335822e-01 2.28 -1.199752431e+00 -1.199752431e+00 2.30 -1.575629196e+00 -1.575629196e+00 2.32 -1.917292635e+00 -1.917292635e+00 2.34 -2.226753309e+00 -2.226753309e+00 2.36 -2.505844700e+00 -2.505844700e+00 2.38 -2.756415889e+00 -2.756415889e+00 2.40 -2.980295045e+00 -2.980295045e+00 2.42 -3.179265968e+00 -3.179265968e+00 2.44 -3.355053270e+00 -3.355053270e+00 2.46 -3.509314248e+00 -3.509314248e+00 2.48 -3.643633439e+00 -3.643633439e+00 2.50 -3.759518714e+00 -3.759518714e+00 2.52 -3.858398110e+00 -3.858398110e+00 2.54 -3.941617265e+00 -3.941617265e+00 2.56 -4.010437493e+00 -4.010437493e+00 2.58 -4.066034600e+00 -4.066034600e+00 2.60 -4.109498532e+00 -4.109498532e+00 2.62 -4.141833859e+00 -4.141833859e+00 2.64 -4.163961989e+00 -4.163961989e+00 2.66 -4.176723021e+00 -4.176723021e+00 2.68 -4.180880359e+00 -4.180880359e+00 2.70 -4.177126292e+00 -4.177126292e+00 2.72 -4.166094872e+00 -4.166094872e+00 2.74 -4.148346340e+00 -4.148346340e+00 2.76 -4.124388671e+00 -4.124388671e+00 2.78 -4.094690184e+00 -4.094690184e+00 2.80 -4.059686532e+00 -4.059686532e+00 2.82 -4.019785863e+00 -4.019785863e+00 2.84 -3.975374487e+00 -3.975374487e+00 2.86 -3.926763145e+00 -3.926763145e+00 2.88 -3.873976068e+00 -3.873976068e+00 2.90 -3.817018505e+00 -3.817018505e+00 2.92 -3.755976825e+00 -3.755976825e+00 2.94 -3.691004953e+00 -3.691004953e+00 2.96 -3.622308603e+00 -3.622308603e+00 2.98 -3.550128596e+00 -3.550128596e+00 3.00 -3.474724500e+00 -3.474724500e+00 3.02 -3.396373151e+00 -3.396373151e+00 3.04 -3.315359100e+00 -3.315359100e+00 3.06 -3.231784689e+00 -3.231784689e+00 3.08 -3.145756028e+00 -3.145756028e+00 3.10 -3.057361294e+00 -3.057361294e+00 3.12 -2.966428368e+00 -2.966428368e+00 3.14 -2.872807328e+00 -2.872807328e+00 3.16 -2.776503715e+00 -2.776503715e+00 3.18 -2.677649649e+00 -2.677649649e+00 3.20 -2.576479303e+00 -2.576479303e+00 3.22 -2.473310419e+00 -2.473310419e+00 3.24 -2.368530239e+00 -2.368530239e+00 3.26 -2.262583733e+00 -2.262583733e+00 3.28 -2.155962126e+00 -2.155962126e+00 3.30 -2.049190356e+00 -2.049190356e+00 3.32 -1.942813102e+00 -1.942813102e+00 3.34 -1.837380012e+00 -1.837380012e+00 3.36 -1.733431380e+00 -1.733431380e+00 3.38 -1.631485619e+00 -1.631485619e+00 3.40 -1.532029339e+00 -1.532029339e+00 3.42 -1.435510668e+00 -1.435510668e+00 3.44 -1.342333980e+00 -1.342333980e+00 3.46 -1.252856772e+00 -1.252856772e+00 3.48 -1.167386379e+00 -1.167386379e+00 3.50 -1.086176497e+00 -1.086176497e+00 3.52 -1.009423408e+00 -1.009423408e+00 3.54 -9.372624250e-01 -9.372624250e-01 3.56 -8.697653594e-01 -8.697653594e-01 3.58 -8.069398544e-01 -8.069398544e-01 3.60 -7.487311648e-01 -7.487311648e-01 3.62 -6.950265920e-01 -6.950265920e-01 3.64 -6.456623508e-01 -6.456623508e-01 3.66 -6.004323108e-01 -6.004323108e-01 3.68 -5.590978572e-01 -5.590978572e-01 3.70 -5.213980688e-01 -5.213980688e-01 3.72 -4.870594961e-01 -4.870594961e-01 3.74 -4.558049835e-01 -4.558049835e-01 3.76 -4.273611365e-01 -4.273611365e-01 3.78 -4.014643208e-01 -4.014643208e-01 3.80 -3.778651013e-01 -3.778651013e-01 3.82 -3.563311129e-01 -3.563311129e-01 3.84 -3.366480281e-01 -3.366480281e-01 3.86 -3.186223315e-01 -3.186223315e-01 3.88 -3.020796475e-01 -3.020796475e-01 3.90 -2.868634679e-01 -2.868634679e-01 3.92 -2.728337731e-01 -2.728337731e-01 3.94 -2.598661759e-01 -2.598661759e-01 3.96 -2.478494677e-01 -2.478494677e-01 3.98 -2.366848793e-01 -2.366848793e-01 4.00 -2.262846230e-01 -2.262846230e-01 4.02 -2.165707688e-01 -2.165707688e-01 4.04 -2.074742538e-01 -2.074742538e-01 4.06 -1.989339954e-01 -1.989339954e-01 4.08 -1.908960817e-01 -1.908960817e-01 4.10 -1.833126574e-01 -1.833126574e-01 4.12 -1.761427443e-01 -1.761427443e-01 4.14 -1.693491750e-01 -1.693491750e-01 4.16 -1.628996910e-01 -1.628996910e-01 4.18 -1.567659321e-01 -1.567659321e-01 4.20 -1.509229349e-01 -1.509229349e-01 4.22 -1.453486851e-01 -1.453486851e-01 4.24 -1.400237208e-01 -1.400237208e-01 4.26 -1.349307866e-01 -1.349307866e-01 4.28 -1.300545310e-01 -1.300545310e-01 4.30 -1.253812466e-01 -1.253812466e-01 4.32 -1.208986452e-01 -1.208986452e-01 4.34 -1.165956657e-01 -1.165956657e-01 4.36 -1.124623096e-01 -1.124623096e-01 4.38 -1.084895000e-01 -1.084895000e-01 4.40 -1.046689618e-01 -1.046689618e-01 4.42 -1.009931191e-01 -1.009931191e-01 4.44 -9.745500773e-02 -9.745500773e-02 4.46 -9.404820047e-02 -9.404820047e-02 4.48 -9.076674300e-02 -9.076674300e-02 4.50 -8.760509914e-02 -8.760509914e-02 4.52 -8.455810376e-02 -8.455810376e-02 4.54 -8.162092231e-02 -8.162092231e-02 4.56 -7.878901594e-02 -7.878901594e-02 4.58 -7.605811139e-02 -7.605811139e-02 4.60 -7.342417487e-02 -7.342417487e-02 4.62 -7.088338930e-02 -7.088338930e-02 4.64 -6.843213453e-02 -6.843213453e-02 4.66 -6.606696999e-02 -6.606696999e-02 4.68 -6.378461939e-02 -6.378461939e-02 4.70 -6.158195729e-02 -6.158195729e-02 4.72 -5.945599714e-02 -5.945599714e-02 4.74 -5.740388062e-02 -5.740388062e-02 4.76 -5.542286814e-02 -5.542286814e-02 4.78 -5.351033018e-02 -5.351033018e-02 4.80 -5.166353389e-02 -5.166353389e-02 4.82 -4.988049542e-02 -4.988049542e-02 4.84 -4.815861552e-02 -4.815861552e-02 4.86 -4.649561498e-02 -4.649561498e-02 4.88 -4.488931677e-02 -4.488931677e-02 4.90 -4.333761702e-02 -4.333761702e-02 4.92 -4.183847858e-02 -4.183847858e-02 4.94 -4.038992701e-02 -4.038992701e-02 4.96 -3.899004692e-02 -3.899004692e-02 4.98 -3.763697818e-02 -3.763697818e-02 5.00 -3.632891309e-02 -3.632891309e-02 5.02 -3.506409396e-02 -3.506409396e-02 5.04 -3.384081103e-02 -3.384081103e-02 5.06 -3.265740110e-02 -3.265740110e-02 5.08 -3.151224681e-02 -3.151224681e-02 5.10 -3.040377676e-02 -3.040377676e-02 5.12 -2.933046667e-02 -2.933046667e-02 5.14 -2.829084166e-02 -2.829084166e-02 5.16 -2.728347983e-02 -2.728347983e-02 5.18 -2.630701725e-02 -2.630701725e-02 5.20 -2.536015453e-02 -2.536015453e-02 5.22 -2.444166479e-02 -2.444166479e-02 5.24 -2.355040319e-02 -2.355040319e-02 5.26 -2.268531746e-02 -2.268531746e-02 5.28 -2.184545908e-02 -2.184545908e-02 5.30 -2.102999441e-02 -2.102999441e-02 5.32 -2.023821458e-02 -2.023821458e-02 5.34 -1.946954222e-02 -1.946954222e-02 5.36 -1.872348558e-02 -1.872348558e-02 5.38 -1.799972091e-02 -1.799972091e-02 5.40 -1.729808388e-02 -1.729808388e-02 5.42 -1.661851971e-02 -1.661851971e-02 5.44 -1.596106051e-02 -1.596106051e-02 5.46 -1.532579589e-02 -1.532579589e-02 5.48 -1.471283821e-02 -1.471283821e-02 5.50 -1.412228501e-02 -1.412228501e-02 5.52 -1.355418173e-02 -1.355418173e-02 5.54 -1.300848791e-02 -1.300848791e-02 5.56 -1.248504982e-02 -1.248504982e-02 5.58 -1.198358180e-02 -1.198358180e-02 5.60 -1.150365741e-02 -1.150365741e-02 5.62 -1.104471042e-02 -1.104471042e-02 5.64 -1.060604466e-02 -1.060604466e-02 5.66 -1.018685072e-02 -1.018685072e-02 5.68 -9.786227358e-03 -9.786227358e-03 5.70 -9.403205110e-03 -9.403205110e-03 5.72 -9.036770124e-03 -9.036770124e-03 5.74 -8.685886396e-03 -8.685886396e-03 5.76 -8.349515339e-03 -8.349515339e-03 5.78 -8.026632010e-03 -8.026632010e-03 5.80 -7.716237833e-03 -7.716237833e-03 5.82 -7.417369993e-03 -7.417369993e-03 5.84 -7.129107891e-03 -7.129107891e-03 5.86 -6.850577222e-03 -6.850577222e-03 5.88 -6.580952245e-03 -6.580952245e-03 5.90 -6.319456851e-03 -6.319456851e-03 5.92 -6.065364954e-03 -6.065364954e-03 5.94 -5.818000673e-03 -5.818000673e-03 5.96 -5.576738706e-03 -5.576738706e-03 5.98 -5.341005182e-03 -5.341005182e-03 6.00 -5.110279240e-03 -5.110279240e-03