# 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 = MgNiPt2 # 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 3.174786144e+02 3.174786144e+02 1.30 2.950529414e+02 2.950529414e+02 1.32 2.741599424e+02 2.741599424e+02 1.34 2.546926805e+02 2.546926805e+02 1.36 2.365542166e+02 2.365542166e+02 1.38 2.196522438e+02 2.196522438e+02 1.40 2.038978777e+02 2.038978777e+02 1.42 1.892070805e+02 1.892070805e+02 1.44 1.755002929e+02 1.755002929e+02 1.46 1.627020579e+02 1.627020579e+02 1.48 1.507435944e+02 1.507435944e+02 1.50 1.395653656e+02 1.395653656e+02 1.52 1.291155792e+02 1.291155792e+02 1.54 1.193456758e+02 1.193456758e+02 1.56 1.102069055e+02 1.102069055e+02 1.58 1.016498144e+02 1.016498144e+02 1.60 9.362552286e+01 9.362552286e+01 1.62 8.608735834e+01 8.608735834e+01 1.64 7.899251649e+01 7.899251649e+01 1.66 7.230373238e+01 7.230373238e+01 1.68 6.599056251e+01 6.599056251e+01 1.70 6.005025899e+01 6.005025899e+01 1.72 5.456495261e+01 5.456495261e+01 1.74 4.951972651e+01 4.951972651e+01 1.76 4.488499053e+01 4.488499053e+01 1.78 4.063077319e+01 4.063077319e+01 1.80 3.672720452e+01 3.672720452e+01 1.82 3.314585531e+01 3.314585531e+01 1.84 2.986091239e+01 2.986091239e+01 1.86 2.684960101e+01 2.684960101e+01 1.88 2.409172568e+01 2.409172568e+01 1.90 2.156858055e+01 2.156858055e+01 1.92 1.926183030e+01 1.926183030e+01 1.94 1.715300174e+01 1.715300174e+01 1.96 1.522382631e+01 1.522382631e+01 1.98 1.345707504e+01 1.345707504e+01 2.00 1.183730818e+01 1.183730818e+01 2.02 1.035117863e+01 1.035117863e+01 2.04 8.987298327e+00 8.987298327e+00 2.06 7.735875151e+00 7.735875151e+00 2.08 6.588315306e+00 6.588315306e+00 2.10 5.536891991e+00 5.536891991e+00 2.12 4.574504741e+00 4.574504741e+00 2.14 3.694531761e+00 3.694531761e+00 2.16 2.890763205e+00 2.890763205e+00 2.18 2.157393009e+00 2.157393009e+00 2.20 1.489039075e+00 1.489039075e+00 2.22 8.807616566e-01 8.807616566e-01 2.24 3.280681886e-01 3.280681886e-01 2.26 -1.730982859e-01 -1.730982859e-01 2.28 -6.263875631e-01 -6.263875631e-01 2.30 -1.035086841e+00 -1.035086841e+00 2.32 -1.402184761e+00 -1.402184761e+00 2.34 -1.730443879e+00 -1.730443879e+00 2.36 -2.022471574e+00 -2.022471574e+00 2.38 -2.280776456e+00 -2.280776456e+00 2.40 -2.507807080e+00 -2.507807080e+00 2.42 -2.706165383e+00 -2.706165383e+00 2.44 -2.880701353e+00 -2.880701353e+00 2.46 -3.033801326e+00 -3.033801326e+00 2.48 -3.166998938e+00 -3.166998938e+00 2.50 -3.281960193e+00 -3.281960193e+00 2.52 -3.380443122e+00 -3.380443122e+00 2.54 -3.464231972e+00 -3.464231972e+00 2.56 -3.535047696e+00 -3.535047696e+00 2.58 -3.594450421e+00 -3.594450421e+00 2.60 -3.643760309e+00 -3.643760309e+00 2.62 -3.684016150e+00 -3.684016150e+00 2.64 -3.715988440e+00 -3.715988440e+00 2.66 -3.740227011e+00 -3.740227011e+00 2.68 -3.757127633e+00 -3.757127633e+00 2.70 -3.766995697e+00 -3.766995697e+00 2.72 -3.770095207e+00 -3.770095207e+00 2.74 -3.766678341e+00 -3.766678341e+00 2.76 -3.756990490e+00 -3.756990490e+00 2.78 -3.741212985e+00 -3.741212985e+00 2.80 -3.719508643e+00 -3.719508643e+00 2.82 -3.692060346e+00 -3.692060346e+00 2.84 -3.659072305e+00 -3.659072305e+00 2.86 -3.620778889e+00 -3.620778889e+00 2.88 -3.577461218e+00 -3.577461218e+00 2.90 -3.529467657e+00 -3.529467657e+00 2.92 -3.477232520e+00 -3.477232520e+00 2.94 -3.421286097e+00 -3.421286097e+00 2.96 -3.362249559e+00 -3.362249559e+00 2.98 -3.300811116e+00 -3.300811116e+00 3.00 -3.237684834e+00 -3.237684834e+00 3.02 -3.173559339e+00 -3.173559339e+00 3.04 -3.109047412e+00 -3.109047412e+00 3.06 -3.044648522e+00 -3.044648522e+00 3.08 -2.980729095e+00 -2.980729095e+00 3.10 -2.917524638e+00 -2.917524638e+00 3.12 -2.855156604e+00 -2.855156604e+00 3.14 -2.793659527e+00 -2.793659527e+00 3.16 -2.733007393e+00 -2.733007393e+00 3.18 -2.673139921e+00 -2.673139921e+00 3.20 -2.613981980e+00 -2.613981980e+00 3.22 -2.555460271e+00 -2.555460271e+00 3.24 -2.497580062e+00 -2.497580062e+00 3.26 -2.440415720e+00 -2.440415720e+00 3.28 -2.384027657e+00 -2.384027657e+00 3.30 -2.328465131e+00 -2.328465131e+00 3.32 -2.273770512e+00 -2.273770512e+00 3.34 -2.219981285e+00 -2.219981285e+00 3.36 -2.167130691e+00 -2.167130691e+00 3.38 -2.115247643e+00 -2.115247643e+00 3.40 -2.064356375e+00 -2.064356375e+00 3.42 -2.014476269e+00 -2.014476269e+00 3.44 -1.965621424e+00 -1.965621424e+00 3.46 -1.917800698e+00 -1.917800698e+00 3.48 -1.871027801e+00 -1.871027801e+00 3.50 -1.825302522e+00 -1.825302522e+00 3.52 -1.780609015e+00 -1.780609015e+00 3.54 -1.736928822e+00 -1.736928822e+00 3.56 -1.694241177e+00 -1.694241177e+00 3.58 -1.652523440e+00 -1.652523440e+00 3.60 -1.611751545e+00 -1.611751545e+00 3.62 -1.571900411e+00 -1.571900411e+00 3.64 -1.532944278e+00 -1.532944278e+00 3.66 -1.494856956e+00 -1.494856956e+00 3.68 -1.457610045e+00 -1.457610045e+00 3.70 -1.421162384e+00 -1.421162384e+00 3.72 -1.385469115e+00 -1.385469115e+00 3.74 -1.350488672e+00 -1.350488672e+00 3.76 -1.316182945e+00 -1.316182945e+00 3.78 -1.282517671e+00 -1.282517671e+00 3.80 -1.249462920e+00 -1.249462920e+00 3.82 -1.216993547e+00 -1.216993547e+00 3.84 -1.185089485e+00 -1.185089485e+00 3.86 -1.153735739e+00 -1.153735739e+00 3.88 -1.122922016e+00 -1.122922016e+00 3.90 -1.092641996e+00 -1.092641996e+00 3.92 -1.062892247e+00 -1.062892247e+00 3.94 -1.033671517e+00 -1.033671517e+00 3.96 -1.004979197e+00 -1.004979197e+00 3.98 -9.768151172e-01 -9.768151172e-01 4.00 -9.491792660e-01 -9.491792660e-01 4.02 -9.220721036e-01 -9.220721036e-01 4.04 -8.954952579e-01 -8.954952579e-01 4.06 -8.694524331e-01 -8.694524331e-01 4.08 -8.439502959e-01 -8.439502959e-01 4.10 -8.189989481e-01 -8.189989481e-01 4.12 -7.946126883e-01 -7.946126883e-01 4.14 -7.708085407e-01 -7.708085407e-01 4.16 -7.476058055e-01 -7.476058055e-01 4.18 -7.250241191e-01 -7.250241191e-01 4.20 -7.030812936e-01 -7.030812936e-01 4.22 -6.817910221e-01 -6.817910221e-01 4.24 -6.611607665e-01 -6.611607665e-01 4.26 -6.411901212e-01 -6.411901212e-01 4.28 -6.218698606e-01 -6.218698606e-01 4.30 -6.031817566e-01 -6.031817566e-01 4.32 -5.850991190e-01 -5.850991190e-01 4.34 -5.675879037e-01 -5.675879037e-01 4.36 -5.506081697e-01 -5.506081697e-01 4.38 -5.341156525e-01 -5.341156525e-01 4.40 -5.180632550e-01 -5.180632550e-01 4.42 -5.024023091e-01 -5.024023091e-01 4.44 -4.870835392e-01 -4.870835392e-01 4.46 -4.720577157e-01 -4.720577157e-01 4.48 -4.572760480e-01 -4.572760480e-01 4.50 -4.426904011e-01 -4.426904011e-01 4.52 -4.282534400e-01 -4.282534400e-01 4.54 -4.139188137e-01 -4.139188137e-01 4.56 -3.996414762e-01 -3.996414762e-01 4.58 -3.853782272e-01 -3.853782272e-01 4.60 -3.710885238e-01 -3.710885238e-01 4.62 -3.567355867e-01 -3.567355867e-01 4.64 -3.422877906e-01 -3.422877906e-01 4.66 -3.277202944e-01 -3.277202944e-01 4.68 -3.130168321e-01 -3.130168321e-01 4.70 -2.981715502e-01 -2.981715502e-01 4.72 -2.831907400e-01 -2.831907400e-01 4.74 -2.680942847e-01 -2.680942847e-01 4.76 -2.529166215e-01 -2.529166215e-01 4.78 -2.377070176e-01 -2.377070176e-01 4.80 -2.225288119e-01 -2.225288119e-01 4.82 -2.074585996e-01 -2.074585996e-01 4.84 -1.925825382e-01 -1.925825382e-01 4.86 -1.779937184e-01 -1.779937184e-01 4.88 -1.637878383e-01 -1.637878383e-01 4.90 -1.500587313e-01 -1.500587313e-01 4.92 -1.368939213e-01 -1.368939213e-01 4.94 -1.243706000e-01 -1.243706000e-01 4.96 -1.125523746e-01 -1.125523746e-01 4.98 -1.014870310e-01 -1.014870310e-01 5.00 -9.120543531e-02 -9.120543531e-02 5.02 -8.172154952e-02 -8.172154952e-02 5.04 -7.303342756e-02 -7.303342756e-02 5.06 -6.512497652e-02 -6.512497652e-02 5.08 -5.796822592e-02 -5.796822592e-02 5.10 -5.152584857e-02 -5.152584857e-02 5.12 -4.575370761e-02 -4.575370761e-02 5.14 -4.060325353e-02 -4.060325353e-02 5.16 -3.602365222e-02 -3.602365222e-02 5.18 -3.196357758e-02 -3.196357758e-02 5.20 -2.837261773e-02 -2.837261773e-02 5.22 -2.520237471e-02 -2.520237471e-02 5.24 -2.240722705e-02 -2.240722705e-02 5.26 -1.994457263e-02 -1.994457263e-02 5.28 -1.777481328e-02 -1.777481328e-02 5.30 -1.586344230e-02 -1.586344230e-02 5.32 -1.417923695e-02 -1.417923695e-02 5.34 -1.269413298e-02 -1.269413298e-02 5.36 -1.138344680e-02 -1.138344680e-02 5.38 -1.022536921e-02 -1.022536921e-02 5.40 -9.200700814e-03 -9.200700814e-03 5.42 -8.292706048e-03 -8.292706048e-03 5.44 -7.486862945e-03 -7.486862945e-03 5.46 -6.770610714e-03 -6.770610714e-03 5.48 -6.133104314e-03 -6.133104314e-03 5.50 -5.564982494e-03 -5.564982494e-03 5.52 -5.058153836e-03 -5.058153836e-03 5.54 -4.605603937e-03 -4.605603937e-03 5.56 -4.201225628e-03 -4.201225628e-03 5.58 -3.839672977e-03 -3.839672977e-03 5.60 -3.516238676e-03 -3.516238676e-03 5.62 -3.226753395e-03 -3.226753395e-03 5.64 -2.967504819e-03 -2.967504819e-03 5.66 -2.735173538e-03 -2.735173538e-03 5.68 -2.526782699e-03 -2.526782699e-03 5.70 -2.339658380e-03 -2.339658380e-03 5.72 -2.171397947e-03 -2.171397947e-03 5.74 -2.019844077e-03 -2.019844077e-03 5.76 -1.883062675e-03 -1.883062675e-03 5.78 -1.759323380e-03 -1.759323380e-03 5.80 -1.647081795e-03 -1.647081795e-03 5.82 -1.544962943e-03 -1.544962943e-03 5.84 -1.451745683e-03 -1.451745683e-03 5.86 -1.366347994e-03 -1.366347994e-03 5.88 -1.287813129e-03 -1.287813129e-03 5.90 -1.215296701e-03 -1.215296701e-03 5.92 -1.148054752e-03 -1.148054752e-03 5.94 -1.085432858e-03 -1.085432858e-03 5.96 -1.026856315e-03 -1.026856315e-03 5.98 -9.718213879e-04 -9.718213879e-04 6.00 -9.198876319e-04 -9.198876319e-04