# 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 = MoPb2Pd # 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 4.156245337e+02 4.156245337e+02 1.30 3.879372083e+02 3.879372083e+02 1.32 3.621536383e+02 3.621536383e+02 1.34 3.381356726e+02 3.381356726e+02 1.36 3.157599206e+02 3.157599206e+02 1.38 2.949131591e+02 2.949131591e+02 1.40 2.754887115e+02 2.754887115e+02 1.42 2.573843429e+02 2.573843429e+02 1.44 2.405016759e+02 2.405016759e+02 1.46 2.247468468e+02 2.247468468e+02 1.48 2.100318041e+02 2.100318041e+02 1.50 1.962754383e+02 1.962754383e+02 1.52 1.834039989e+02 1.834039989e+02 1.54 1.713508963e+02 1.713508963e+02 1.56 1.600561420e+02 1.600561420e+02 1.58 1.494656453e+02 1.494656453e+02 1.60 1.395303891e+02 1.395303891e+02 1.62 1.302055756e+02 1.302055756e+02 1.64 1.214498784e+02 1.214498784e+02 1.66 1.132250467e+02 1.132250467e+02 1.68 1.054958615e+02 1.054958615e+02 1.70 9.823021712e+01 9.823021712e+01 1.72 9.139914006e+01 9.139914006e+01 1.74 8.497734187e+01 8.497734187e+01 1.76 7.894679725e+01 7.894679725e+01 1.78 7.330602104e+01 7.330602104e+01 1.80 6.804345830e+01 6.804345830e+01 1.82 6.313701487e+01 6.313701487e+01 1.84 5.856516738e+01 5.856516738e+01 1.86 5.430676953e+01 5.430676953e+01 1.88 5.034110530e+01 5.034110530e+01 1.90 4.664810823e+01 4.664810823e+01 1.92 4.320859896e+01 4.320859896e+01 1.94 4.000446846e+01 4.000446846e+01 1.96 3.701876929e+01 3.701876929e+01 1.98 3.423574260e+01 3.423574260e+01 2.00 3.164078987e+01 3.164078987e+01 2.02 2.922040532e+01 2.922040532e+01 2.04 2.696208083e+01 2.696208083e+01 2.06 2.485420948e+01 2.485420948e+01 2.08 2.288601238e+01 2.288601238e+01 2.10 2.104748878e+01 2.104748878e+01 2.12 1.932939997e+01 1.932939997e+01 2.14 1.772325839e+01 1.772325839e+01 2.16 1.622131305e+01 1.622131305e+01 2.18 1.481651929e+01 1.481651929e+01 2.20 1.350248356e+01 1.350248356e+01 2.22 1.227339803e+01 1.227339803e+01 2.24 1.112396680e+01 1.112396680e+01 2.26 1.004933411e+01 1.004933411e+01 2.28 9.045021434e+00 9.045021434e+00 2.30 8.106866657e+00 8.106866657e+00 2.32 7.230972019e+00 7.230972019e+00 2.34 6.413666841e+00 6.413666841e+00 2.36 5.651467864e+00 5.651467864e+00 2.38 4.941056122e+00 4.941056122e+00 2.40 4.279264512e+00 4.279264512e+00 2.42 3.663078366e+00 3.663078366e+00 2.44 3.089643830e+00 3.089643830e+00 2.46 2.556280825e+00 2.556280825e+00 2.48 2.060491333e+00 2.060491333e+00 2.50 1.599992020e+00 1.599992020e+00 2.52 1.172735000e+00 1.172735000e+00 2.54 7.766428378e-01 7.766428378e-01 2.56 4.097832254e-01 4.097832254e-01 2.58 7.037301629e-02 7.037301629e-02 2.60 -2.432386077e-01 -2.432386077e-01 2.62 -5.325841205e-01 -5.325841205e-01 2.64 -7.990959869e-01 -7.990959869e-01 2.66 -1.044112328e+00 -1.044112328e+00 2.68 -1.268878687e+00 -1.268878687e+00 2.70 -1.474457758e+00 -1.474457758e+00 2.72 -1.661821757e+00 -1.661821757e+00 2.74 -1.831917190e+00 -1.831917190e+00 2.76 -1.985663614e+00 -1.985663614e+00 2.78 -2.124203827e+00 -2.124203827e+00 2.80 -2.248549053e+00 -2.248549053e+00 2.82 -2.359332714e+00 -2.359332714e+00 2.84 -2.457187464e+00 -2.457187464e+00 2.86 -2.542747942e+00 -2.542747942e+00 2.88 -2.616655338e+00 -2.616655338e+00 2.90 -2.679562409e+00 -2.679562409e+00 2.92 -2.732157982e+00 -2.732157982e+00 2.94 -2.775218444e+00 -2.775218444e+00 2.96 -2.809529038e+00 -2.809529038e+00 2.98 -2.835853355e+00 -2.835853355e+00 3.00 -2.854921753e+00 -2.854921753e+00 3.02 -2.867420354e+00 -2.867420354e+00 3.04 -2.873982085e+00 -2.873982085e+00 3.06 -2.875183901e+00 -2.875183901e+00 3.08 -2.871542682e+00 -2.871542682e+00 3.10 -2.863520037e+00 -2.863520037e+00 3.12 -2.851525140e+00 -2.851525140e+00 3.14 -2.835927102e+00 -2.835927102e+00 3.16 -2.817050666e+00 -2.817050666e+00 3.18 -2.795187769e+00 -2.795187769e+00 3.20 -2.770598112e+00 -2.770598112e+00 3.22 -2.743509997e+00 -2.743509997e+00 3.24 -2.714120412e+00 -2.714120412e+00 3.26 -2.682596434e+00 -2.682596434e+00 3.28 -2.649161327e+00 -2.649161327e+00 3.30 -2.613890229e+00 -2.613890229e+00 3.32 -2.576760081e+00 -2.576760081e+00 3.34 -2.537761281e+00 -2.537761281e+00 3.36 -2.496906378e+00 -2.496906378e+00 3.38 -2.454238346e+00 -2.454238346e+00 3.40 -2.409829403e+00 -2.409829403e+00 3.42 -2.363746549e+00 -2.363746549e+00 3.44 -2.316087997e+00 -2.316087997e+00 3.46 -2.267006183e+00 -2.267006183e+00 3.48 -2.216700567e+00 -2.216700567e+00 3.50 -2.165407477e+00 -2.165407477e+00 3.52 -2.113387657e+00 -2.113387657e+00 3.54 -2.060912821e+00 -2.060912821e+00 3.56 -2.008252625e+00 -2.008252625e+00 3.58 -1.955663283e+00 -1.955663283e+00 3.60 -1.903378715e+00 -1.903378715e+00 3.62 -1.851604677e+00 -1.851604677e+00 3.64 -1.800515847e+00 -1.800515847e+00 3.66 -1.750255496e+00 -1.750255496e+00 3.68 -1.700937099e+00 -1.700937099e+00 3.70 -1.652647151e+00 -1.652647151e+00 3.72 -1.605448492e+00 -1.605448492e+00 3.74 -1.559383595e+00 -1.559383595e+00 3.76 -1.514477489e+00 -1.514477489e+00 3.78 -1.470740214e+00 -1.470740214e+00 3.80 -1.428168880e+00 -1.428168880e+00 3.82 -1.386749502e+00 -1.386749502e+00 3.84 -1.346458803e+00 -1.346458803e+00 3.86 -1.307266079e+00 -1.307266079e+00 3.88 -1.269135188e+00 -1.269135188e+00 3.90 -1.232026588e+00 -1.232026588e+00 3.92 -1.195898533e+00 -1.195898533e+00 3.94 -1.160712309e+00 -1.160712309e+00 3.96 -1.126428552e+00 -1.126428552e+00 3.98 -1.093012333e+00 -1.093012333e+00 4.00 -1.060433212e+00 -1.060433212e+00 4.02 -1.028665950e+00 -1.028665950e+00 4.04 -9.976908761e-01 -9.976908761e-01 4.06 -9.674938931e-01 -9.674938931e-01 4.08 -9.380660999e-01 -9.380660999e-01 4.10 -9.094007517e-01 -9.094007517e-01 4.12 -8.815016707e-01 -8.815016707e-01 4.14 -8.543668516e-01 -8.543668516e-01 4.16 -8.279974231e-01 -8.279974231e-01 4.18 -8.023932860e-01 -8.023932860e-01 4.20 -7.775517005e-01 -7.775517005e-01 4.22 -7.534661842e-01 -7.534661842e-01 4.24 -7.301258240e-01 -7.301258240e-01 4.26 -7.075150380e-01 -7.075150380e-01 4.28 -6.856137621e-01 -6.856137621e-01 4.30 -6.643979770e-01 -6.643979770e-01 4.32 -6.438404666e-01 -6.438404666e-01 4.34 -6.239116891e-01 -6.239116891e-01 4.36 -6.045806587e-01 -6.045806587e-01 4.38 -5.858157619e-01 -5.858157619e-01 4.40 -5.675854623e-01 -5.675854623e-01 4.42 -5.498588768e-01 -5.498588768e-01 4.44 -5.326062286e-01 -5.326062286e-01 4.46 -5.157991954e-01 -5.157991954e-01 4.48 -4.994111826e-01 -4.994111826e-01 4.50 -4.834175491e-01 -4.834175491e-01 4.52 -4.677958119e-01 -4.677958119e-01 4.54 -4.525258528e-01 -4.525258528e-01 4.56 -4.375901352e-01 -4.375901352e-01 4.58 -4.229739368e-01 -4.229739368e-01 4.60 -4.086655862e-01 -4.086655862e-01 4.62 -3.946566839e-01 -3.946566839e-01 4.64 -3.809422788e-01 -3.809422788e-01 4.66 -3.675209593e-01 -3.675209593e-01 4.68 -3.543948204e-01 -3.543948204e-01 4.70 -3.415692675e-01 -3.415692675e-01 4.72 -3.290526282e-01 -3.290526282e-01 4.74 -3.168555632e-01 -3.168555632e-01 4.76 -3.049902895e-01 -3.049902895e-01 4.78 -2.934696553e-01 -2.934696553e-01 4.80 -2.823046004e-01 -2.823046004e-01 4.82 -2.715095201e-01 -2.715095201e-01 4.84 -2.610913856e-01 -2.610913856e-01 4.86 -2.510559360e-01 -2.510559360e-01 4.88 -2.414053396e-01 -2.414053396e-01 4.90 -2.321379434e-01 -2.321379434e-01 4.92 -2.232482911e-01 -2.232482911e-01 4.94 -2.147273841e-01 -2.147273841e-01 4.96 -2.065631391e-01 -2.065631391e-01 4.98 -1.987409806e-01 -1.987409806e-01 5.00 -1.912445106e-01 -1.912445106e-01 5.02 -1.840561899e-01 -1.840561899e-01 5.04 -1.771579997e-01 -1.771579997e-01 5.06 -1.705320390e-01 -1.705320390e-01 5.08 -1.641610388e-01 -1.641610388e-01 5.10 -1.580287828e-01 -1.580287828e-01 5.12 -1.521204320e-01 -1.521204320e-01 5.14 -1.464227484e-01 -1.464227484e-01 5.16 -1.409242280e-01 -1.409242280e-01 5.18 -1.356151459e-01 -1.356151459e-01 5.20 -1.304875196e-01 -1.304875196e-01 5.22 -1.255349959e-01 -1.255349959e-01 5.24 -1.207526723e-01 -1.207526723e-01 5.26 -1.161368612e-01 -1.161368612e-01 5.28 -1.116846903e-01 -1.116846903e-01 5.30 -1.073934214e-01 -1.073934214e-01 5.32 -1.032614934e-01 -1.032614934e-01 5.34 -9.928744729e-02 -9.928744729e-02 5.36 -9.546951157e-02 -9.546951157e-02 5.38 -9.180539480e-02 -9.180539480e-02 5.40 -8.829213567e-02 -8.829213567e-02 5.42 -8.492601621e-02 -8.492601621e-02 5.44 -8.170253703e-02 -8.170253703e-02 5.46 -7.861644820e-02 -7.861644820e-02 5.48 -7.566182546e-02 -7.566182546e-02 5.50 -7.283217926e-02 -7.283217926e-02 5.52 -7.012058364e-02 -7.012058364e-02 5.54 -6.751981300e-02 -6.751981300e-02 5.56 -6.502247667e-02 -6.502247667e-02 5.58 -6.262114395e-02 -6.262114395e-02 5.60 -6.030845471e-02 -6.030845471e-02 5.62 -5.807721331e-02 -5.807721331e-02 5.64 -5.592046541e-02 -5.592046541e-02 5.66 -5.383155890e-02 -5.383155890e-02 5.68 -5.180419122e-02 -5.180419122e-02 5.70 -4.983244565e-02 -4.983244565e-02 5.72 -4.791081969e-02 -4.791081969e-02 5.74 -4.603424813e-02 -4.603424813e-02 5.76 -4.419812331e-02 -4.419812331e-02 5.78 -4.239831462e-02 -4.239831462e-02 5.80 -4.063118843e-02 -4.063118843e-02 5.82 -3.889362923e-02 -3.889362923e-02 5.84 -3.718306200e-02 -3.718306200e-02 5.86 -3.549747493e-02 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