# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003 # composition = Al2MnPd # 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 4.583897966e+02 4.583897966e+02 1.28 4.030388020e+02 4.030388020e+02 1.30 3.552206032e+02 3.552206032e+02 1.32 3.137913413e+02 3.137913413e+02 1.34 2.777985769e+02 2.777985769e+02 1.36 2.464319729e+02 2.464319729e+02 1.38 2.190221813e+02 2.190221813e+02 1.40 1.950256061e+02 1.950256061e+02 1.42 1.739782335e+02 1.739782335e+02 1.44 1.554698340e+02 1.554698340e+02 1.46 1.391528231e+02 1.391528231e+02 1.48 1.247399731e+02 1.247399731e+02 1.50 1.119820308e+02 1.119820308e+02 1.52 1.006539879e+02 1.006539879e+02 1.54 9.056387055e+01 9.056387055e+01 1.56 8.155849790e+01 8.155849790e+01 1.58 7.351465290e+01 7.351465290e+01 1.60 6.632557330e+01 6.632557330e+01 1.62 5.988917955e+01 5.988917955e+01 1.64 5.410640810e+01 5.410640810e+01 1.66 4.889091713e+01 4.889091713e+01 1.68 4.407283380e+01 4.407283380e+01 1.70 3.929537953e+01 3.929537953e+01 1.72 3.496862503e+01 3.496862503e+01 1.74 3.105430318e+01 3.105430318e+01 1.76 2.751330246e+01 2.751330246e+01 1.78 2.433524865e+01 2.433524865e+01 1.80 2.146270086e+01 2.146270086e+01 1.82 1.882919478e+01 1.882919478e+01 1.84 1.642848495e+01 1.642848495e+01 1.86 1.424110749e+01 1.424110749e+01 1.88 1.225289305e+01 1.225289305e+01 1.90 1.045469967e+01 1.045469967e+01 1.92 8.838809842e+00 8.838809842e+00 1.94 7.392498620e+00 7.392498620e+00 1.96 6.095368608e+00 6.095368608e+00 1.98 4.924638144e+00 4.924638144e+00 2.00 3.861953392e+00 3.861953392e+00 2.02 2.894818328e+00 2.894818328e+00 2.04 2.014202506e+00 2.014202506e+00 2.06 1.212211019e+00 1.212211019e+00 2.08 4.815103794e-01 4.815103794e-01 2.10 -1.841717026e-01 -1.841717026e-01 2.12 -7.899657669e-01 -7.899657669e-01 2.14 -1.340009353e+00 -1.340009353e+00 2.16 -1.837758753e+00 -1.837758753e+00 2.18 -2.286584171e+00 -2.286584171e+00 2.20 -2.690544200e+00 -2.690544200e+00 2.22 -3.054729294e+00 -3.054729294e+00 2.24 -3.384533007e+00 -3.384533007e+00 2.26 -3.684348379e+00 -3.684348379e+00 2.28 -3.956977673e+00 -3.956977673e+00 2.30 -4.204153699e+00 -4.204153699e+00 2.32 -4.427442412e+00 -4.427442412e+00 2.34 -4.628786495e+00 -4.628786495e+00 2.36 -4.810406224e+00 -4.810406224e+00 2.38 -4.974197790e+00 -4.974197790e+00 2.40 -5.121327453e+00 -5.121327453e+00 2.42 -5.252286553e+00 -5.252286553e+00 2.44 -5.367201325e+00 -5.367201325e+00 2.46 -5.466091349e+00 -5.466091349e+00 2.48 -5.548938586e+00 -5.548938586e+00 2.50 -5.615599913e+00 -5.615599913e+00 2.52 -5.665647502e+00 -5.665647502e+00 2.54 -5.698386267e+00 -5.698386267e+00 2.56 -5.713141475e+00 -5.713141475e+00 2.58 -5.709749173e+00 -5.709749173e+00 2.60 -5.689020278e+00 -5.689020278e+00 2.62 -5.652871376e+00 -5.652871376e+00 2.64 -5.604003447e+00 -5.604003447e+00 2.66 -5.545275414e+00 -5.545275414e+00 2.68 -5.479074639e+00 -5.479074639e+00 2.70 -5.406987732e+00 -5.406987732e+00 2.72 -5.329871251e+00 -5.329871251e+00 2.74 -5.248162449e+00 -5.248162449e+00 2.76 -5.162196293e+00 -5.162196293e+00 2.78 -5.072383527e+00 -5.072383527e+00 2.80 -4.979278338e+00 -4.979278338e+00 2.82 -4.883554376e+00 -4.883554376e+00 2.84 -4.785970682e+00 -4.785970682e+00 2.86 -4.687368010e+00 -4.687368010e+00 2.88 -4.588617658e+00 -4.588617658e+00 2.90 -4.490519744e+00 -4.490519744e+00 2.92 -4.393701803e+00 -4.393701803e+00 2.94 -4.298579655e+00 -4.298579655e+00 2.96 -4.205395549e+00 -4.205395549e+00 2.98 -4.114294798e+00 -4.114294798e+00 3.00 -4.025393509e+00 -4.025393509e+00 3.02 -3.938816217e+00 -3.938816217e+00 3.04 -3.854706540e+00 -3.854706540e+00 3.06 -3.773215985e+00 -3.773215985e+00 3.08 -3.694475714e+00 -3.694475714e+00 3.10 -3.618588415e+00 -3.618588415e+00 3.12 -3.545628801e+00 -3.545628801e+00 3.14 -3.475642638e+00 -3.475642638e+00 3.16 -3.408643870e+00 -3.408643870e+00 3.18 -3.344609789e+00 -3.344609789e+00 3.20 -3.283474721e+00 -3.283474721e+00 3.22 -3.225123444e+00 -3.225123444e+00 3.24 -3.169386596e+00 -3.169386596e+00 3.26 -3.116040983e+00 -3.116040983e+00 3.28 -3.064817075e+00 -3.064817075e+00 3.30 -3.015413285e+00 -3.015413285e+00 3.32 -2.967513387e+00 -2.967513387e+00 3.34 -2.920804727e+00 -2.920804727e+00 3.36 -2.875004109e+00 -2.875004109e+00 3.38 -2.829910203e+00 -2.829910203e+00 3.40 -2.785499145e+00 -2.785499145e+00 3.42 -2.742052930e+00 -2.742052930e+00 3.44 -2.700266219e+00 -2.700266219e+00 3.46 -2.661246961e+00 -2.661246961e+00 3.48 -2.626347930e+00 -2.626347930e+00 3.50 -2.596853953e+00 -2.596853953e+00 3.52 -2.573652262e+00 -2.573652262e+00 3.54 -2.557040835e+00 -2.557040835e+00 3.56 -2.546747818e+00 -2.546747818e+00 3.58 -2.542111308e+00 -2.542111308e+00 3.60 -2.542302693e+00 -2.542302693e+00 3.62 -2.546502916e+00 -2.546502916e+00 3.64 -2.554000347e+00 -2.554000347e+00 3.66 -2.564220938e+00 -2.564220938e+00 3.68 -2.576707175e+00 -2.576707175e+00 3.70 -2.591041977e+00 -2.591041977e+00 3.72 -2.606814173e+00 -2.606814173e+00 3.74 -2.623623312e+00 -2.623623312e+00 3.76 -2.641084493e+00 -2.641084493e+00 3.78 -2.658831467e+00 -2.658831467e+00 3.80 -2.676518807e+00 -2.676518807e+00 3.82 -2.693823200e+00 -2.693823200e+00 3.84 -2.710444468e+00 -2.710444468e+00 3.86 -2.726107112e+00 -2.726107112e+00 3.88 -2.740562842e+00 -2.740562842e+00 3.90 -2.753595164e+00 -2.753595164e+00 3.92 -2.765026516e+00 -2.765026516e+00 3.94 -2.774728542e+00 -2.774728542e+00 3.96 -2.782634930e+00 -2.782634930e+00 3.98 -2.788754631e+00 -2.788754631e+00 4.00 -2.793181016e+00 -2.793181016e+00 4.02 -2.796090518e+00 -2.796090518e+00 4.04 -2.797724427e+00 -2.797724427e+00 4.06 -2.798351735e+00 -2.798351735e+00 4.08 -2.798218960e+00 -2.798218960e+00 4.10 -2.797501193e+00 -2.797501193e+00 4.12 -2.796270985e+00 -2.796270985e+00 4.14 -2.794495007e+00 -2.794495007e+00 4.16 -2.792056489e+00 -2.792056489e+00 4.18 -2.788791930e+00 -2.788791930e+00 4.20 -2.784528334e+00 -2.784528334e+00 4.22 -2.779111642e+00 -2.779111642e+00 4.24 -2.772423057e+00 -2.772423057e+00 4.26 -2.764384785e+00 -2.764384785e+00 4.28 -2.754958479e+00 -2.754958479e+00 4.30 -2.744139523e+00 -2.744139523e+00 4.32 -2.731944307e+00 -2.731944307e+00 4.34 -2.718394338e+00 -2.718394338e+00 4.36 -2.703513096e+00 -2.703513096e+00 4.38 -2.687326012e+00 -2.687326012e+00 4.40 -2.669860418e+00 -2.669860418e+00 4.42 -2.651145532e+00 -2.651145532e+00 4.44 -2.631212429e+00 -2.631212429e+00 4.46 -2.610093997e+00 -2.610093997e+00 4.48 -2.587824922e+00 -2.587824922e+00 4.50 -2.564441633e+00 -2.564441633e+00 4.52 -2.539982264e+00 -2.539982264e+00 4.54 -2.514486595e+00 -2.514486595e+00 4.56 -2.487996000e+00 -2.487996000e+00 4.58 -2.460553363e+00 -2.460553363e+00 4.60 -2.432203004e+00 -2.432203004e+00 4.62 -2.402990591e+00 -2.402990591e+00 4.64 -2.372963031e+00 -2.372963031e+00 4.66 -2.342168348e+00 -2.342168348e+00 4.68 -2.310655579e+00 -2.310655579e+00 4.70 -2.278474616e+00 -2.278474616e+00 4.72 -2.245676069e+00 -2.245676069e+00 4.74 -2.212311096e+00 -2.212311096e+00 4.76 -2.178431262e+00 -2.178431262e+00 4.78 -2.144088318e+00 -2.144088318e+00 4.80 -2.109334068e+00 -2.109334068e+00 4.82 -2.074220140e+00 -2.074220140e+00 4.84 -2.038797806e+00 -2.038797806e+00 4.86 -2.003117787e+00 -2.003117787e+00 4.88 -1.967230043e+00 -1.967230043e+00 4.90 -1.931183599e+00 -1.931183599e+00 4.92 -1.895026318e+00 -1.895026318e+00 4.94 -1.858804749e+00 -1.858804749e+00 4.96 -1.822563923e+00 -1.822563923e+00 4.98 -1.786347196e+00 -1.786347196e+00 5.00 -1.750196090e+00 -1.750196090e+00 5.02 -1.714150159e+00 -1.714150159e+00 5.04 -1.678246865e+00 -1.678246865e+00 5.06 -1.642521468e+00 -1.642521468e+00 5.08 -1.607006975e+00 -1.607006975e+00 5.10 -1.571734074e+00 -1.571734074e+00 5.12 -1.536731063e+00 -1.536731063e+00 5.14 -1.502023944e+00 -1.502023944e+00 5.16 -1.467636332e+00 -1.467636332e+00 5.18 -1.433589610e+00 -1.433589610e+00 5.20 -1.399902891e+00 -1.399902891e+00 5.22 -1.366593248e+00 -1.366593248e+00 5.24 -1.333675690e+00 -1.333675690e+00 5.26 -1.301163427e+00 -1.301163427e+00 5.28 -1.269067919e+00 -1.269067919e+00 5.30 -1.237399115e+00 -1.237399115e+00 5.32 -1.206165592e+00 -1.206165592e+00 5.34 -1.175374696e+00 -1.175374696e+00 5.36 -1.145032835e+00 -1.145032835e+00 5.38 -1.115145551e+00 -1.115145551e+00 5.40 -1.085717708e+00 -1.085717708e+00 5.42 -1.056753699e+00 -1.056753699e+00 5.44 -1.028257626e+00 -1.028257626e+00 5.46 -1.000233416e+00 -1.000233416e+00 5.48 -9.726850869e-01 -9.726850869e-01 5.50 -9.456166984e-01 -9.456166984e-01 5.52 -9.190330887e-01 -9.190330887e-01 5.54 -8.929394769e-01 -8.929394769e-01 5.56 -8.673425865e-01 -8.673425865e-01 5.58 -8.422504794e-01 -8.422504794e-01 5.60 -8.176735081e-01 -8.176735081e-01 5.62 -7.936247080e-01 -7.936247080e-01 5.64 -7.701208597e-01 -7.701208597e-01 5.66 -7.471823535e-01 -7.471823535e-01 5.68 -7.248353103e-01 -7.248353103e-01 5.70 -7.031095301e-01 -7.031095301e-01 5.72 -6.820398816e-01 -6.820398816e-01 5.74 -6.616651839e-01 -6.616651839e-01 5.76 -6.420261275e-01 -6.420261275e-01 5.78 -6.231636986e-01 -6.231636986e-01 5.80 -6.051168475e-01 -6.051168475e-01 5.82 -5.879228233e-01 -5.879228233e-01 5.84 -5.716097973e-01 -5.716097973e-01 5.86 -5.562027430e-01 -5.562027430e-01 5.88 -5.417176795e-01 -5.417176795e-01 5.90 -5.281622165e-01 -5.281622165e-01 5.92 -5.155360810e-01 -5.155360810e-01 5.94 -5.038313472e-01 -5.038313472e-01 5.96 -4.930327541e-01 -4.930327541e-01 5.98 -4.831172552e-01 -4.831172552e-01 6.00 -4.740536239e-01 -4.740536239e-01