# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = 1995--Angelo-J-E--Ni-Al-H--LAMMPS--ipr1 # composition = AlHNi2 # 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 1.497365427e+02 1.497365427e+02 1.02 1.397368932e+02 1.397368932e+02 1.04 1.305069444e+02 1.305069444e+02 1.06 1.219970633e+02 1.219970633e+02 1.08 1.141062491e+02 1.141062491e+02 1.10 1.067709440e+02 1.067709440e+02 1.12 9.996578954e+01 9.996578954e+01 1.14 9.363782290e+01 9.363782290e+01 1.16 8.773840373e+01 8.773840373e+01 1.18 8.221635496e+01 8.221635496e+01 1.20 7.702206144e+01 7.702206144e+01 1.22 7.211484063e+01 7.211484063e+01 1.24 6.747814939e+01 6.747814939e+01 1.26 6.310094798e+01 6.310094798e+01 1.28 5.894671373e+01 5.894671373e+01 1.30 5.499750797e+01 5.499750797e+01 1.32 5.124403502e+01 5.124403502e+01 1.34 4.768427699e+01 4.768427699e+01 1.36 4.431043583e+01 4.431043583e+01 1.38 4.110896234e+01 4.110896234e+01 1.40 3.806420898e+01 3.806420898e+01 1.42 3.516248154e+01 3.516248154e+01 1.44 3.239751958e+01 3.239751958e+01 1.46 2.976818743e+01 2.976818743e+01 1.48 2.726953195e+01 2.726953195e+01 1.50 2.489352691e+01 2.489352691e+01 1.52 2.263473799e+01 2.263473799e+01 1.54 2.049020385e+01 2.049020385e+01 1.56 1.845965690e+01 1.845965690e+01 1.58 1.653036546e+01 1.653036546e+01 1.60 1.469457350e+01 1.469457350e+01 1.62 1.298991488e+01 1.298991488e+01 1.64 1.143479589e+01 1.143479589e+01 1.66 1.001362956e+01 1.001362956e+01 1.68 8.715653212e+00 8.715653212e+00 1.70 7.532374222e+00 7.532374222e+00 1.72 6.454334241e+00 6.454334241e+00 1.74 5.471109897e+00 5.471109897e+00 1.76 4.572328125e+00 4.572328125e+00 1.78 3.748272946e+00 3.748272946e+00 1.80 2.991234121e+00 2.991234121e+00 1.82 2.297876019e+00 2.297876019e+00 1.84 1.669283048e+00 1.669283048e+00 1.86 1.103189090e+00 1.103189090e+00 1.88 5.928292591e-01 5.928292591e-01 1.90 1.307192678e-01 1.307192678e-01 1.92 -2.897890690e-01 -2.897890690e-01 1.94 -6.730042851e-01 -6.730042851e-01 1.96 -1.021657726e+00 -1.021657726e+00 1.98 -1.337640669e+00 -1.337640669e+00 2.00 -1.623394239e+00 -1.623394239e+00 2.02 -1.881550091e+00 -1.881550091e+00 2.04 -2.114337058e+00 -2.114337058e+00 2.06 -2.323556415e+00 -2.323556415e+00 2.08 -2.511083576e+00 -2.511083576e+00 2.10 -2.679244473e+00 -2.679244473e+00 2.12 -2.830695219e+00 -2.830695219e+00 2.14 -2.967770586e+00 -2.967770586e+00 2.16 -3.091131158e+00 -3.091131158e+00 2.18 -3.199571242e+00 -3.199571242e+00 2.20 -3.292149327e+00 -3.292149327e+00 2.22 -3.370035166e+00 -3.370035166e+00 2.24 -3.435150992e+00 -3.435150992e+00 2.26 -3.489702713e+00 -3.489702713e+00 2.28 -3.535141200e+00 -3.535141200e+00 2.30 -3.572076260e+00 -3.572076260e+00 2.32 -3.600815500e+00 -3.600815500e+00 2.34 -3.621318871e+00 -3.621318871e+00 2.36 -3.633131109e+00 -3.633131109e+00 2.38 -3.635475717e+00 -3.635475717e+00 2.40 -3.627699979e+00 -3.627699979e+00 2.42 -3.609903622e+00 -3.609903622e+00 2.44 -3.583568354e+00 -3.583568354e+00 2.46 -3.551183648e+00 -3.551183648e+00 2.48 -3.514465867e+00 -3.514465867e+00 2.50 -3.474354541e+00 -3.474354541e+00 2.52 -3.431571297e+00 -3.431571297e+00 2.54 -3.386595329e+00 -3.386595329e+00 2.56 -3.339826936e+00 -3.339826936e+00 2.58 -3.291638051e+00 -3.291638051e+00 2.60 -3.242372086e+00 -3.242372086e+00 2.62 -3.192339165e+00 -3.192339165e+00 2.64 -3.141823210e+00 -3.141823210e+00 2.66 -3.091079588e+00 -3.091079588e+00 2.68 -3.040356072e+00 -3.040356072e+00 2.70 -2.989921587e+00 -2.989921587e+00 2.72 -2.940103457e+00 -2.940103457e+00 2.74 -2.891307452e+00 -2.891307452e+00 2.76 -2.843987993e+00 -2.843987993e+00 2.78 -2.798567115e+00 -2.798567115e+00 2.80 -2.755315560e+00 -2.755315560e+00 2.82 -2.714179962e+00 -2.714179962e+00 2.84 -2.674584833e+00 -2.674584833e+00 2.86 -2.635427281e+00 -2.635427281e+00 2.88 -2.595653628e+00 -2.595653628e+00 2.90 -2.554977625e+00 -2.554977625e+00 2.92 -2.513573643e+00 -2.513573643e+00 2.94 -2.471666115e+00 -2.471666115e+00 2.96 -2.429459929e+00 -2.429459929e+00 2.98 -2.387174827e+00 -2.387174827e+00 3.00 -2.345033808e+00 -2.345033808e+00 3.02 -2.303181246e+00 -2.303181246e+00 3.04 -2.261672117e+00 -2.261672117e+00 3.06 -2.220534197e+00 -2.220534197e+00 3.08 -2.179792806e+00 -2.179792806e+00 3.10 -2.139470572e+00 -2.139470572e+00 3.12 -2.099590145e+00 -2.099590145e+00 3.14 -2.060173921e+00 -2.060173921e+00 3.16 -2.021245304e+00 -2.021245304e+00 3.18 -1.982830975e+00 -1.982830975e+00 3.20 -1.944958004e+00 -1.944958004e+00 3.22 -1.907659206e+00 -1.907659206e+00 3.24 -1.870970598e+00 -1.870970598e+00 3.26 -1.834931713e+00 -1.834931713e+00 3.28 -1.799583371e+00 -1.799583371e+00 3.30 -1.764962775e+00 -1.764962775e+00 3.32 -1.731093829e+00 -1.731093829e+00 3.34 -1.697971142e+00 -1.697971142e+00 3.36 -1.665538730e+00 -1.665538730e+00 3.38 -1.633672026e+00 -1.633672026e+00 3.40 -1.602191505e+00 -1.602191505e+00 3.42 -1.570938143e+00 -1.570938143e+00 3.44 -1.539837880e+00 -1.539837880e+00 3.46 -1.508867157e+00 -1.508867157e+00 3.48 -1.478006249e+00 -1.478006249e+00 3.50 -1.447234406e+00 -1.447234406e+00 3.52 -1.416530385e+00 -1.416530385e+00 3.54 -1.385873690e+00 -1.385873690e+00 3.56 -1.355246931e+00 -1.355246931e+00 3.58 -1.324639945e+00 -1.324639945e+00 3.60 -1.294056337e+00 -1.294056337e+00 3.62 -1.263520973e+00 -1.263520973e+00 3.64 -1.233081856e+00 -1.233081856e+00 3.66 -1.202806449e+00 -1.202806449e+00 3.68 -1.172746394e+00 -1.172746394e+00 3.70 -1.142928759e+00 -1.142928759e+00 3.72 -1.113363767e+00 -1.113363767e+00 3.74 -1.084061895e+00 -1.084061895e+00 3.76 -1.055036192e+00 -1.055036192e+00 3.78 -1.026301655e+00 -1.026301655e+00 3.80 -9.978756171e-01 -9.978756171e-01 3.82 -9.697784200e-01 -9.697784200e-01 3.84 -9.420331973e-01 -9.420331973e-01 3.86 -9.146652993e-01 -9.146652993e-01 3.88 -8.877031171e-01 -8.877031171e-01 3.90 -8.611773448e-01 -8.611773448e-01 3.92 -8.351211041e-01 -8.351211041e-01 3.94 -8.095678257e-01 -8.095678257e-01 3.96 -7.845496871e-01 -7.845496871e-01 3.98 -7.600953160e-01 -7.600953160e-01 4.00 -7.362240206e-01 -7.362240206e-01 4.02 -7.129407723e-01 -7.129407723e-01 4.04 -6.902300266e-01 -6.902300266e-01 4.06 -6.680495604e-01 -6.680495604e-01 4.08 -6.463290441e-01 -6.463290441e-01 4.10 -6.249815188e-01 -6.249815188e-01 4.12 -6.039320204e-01 -6.039320204e-01 4.14 -5.831429337e-01 -5.831429337e-01 4.16 -5.626168078e-01 -5.626168078e-01 4.18 -5.423687540e-01 -5.423687540e-01 4.20 -5.224141328e-01 -5.224141328e-01 4.22 -5.027723335e-01 -5.027723335e-01 4.24 -4.834637546e-01 -4.834637546e-01 4.26 -4.645101041e-01 -4.645101041e-01 4.28 -4.459360467e-01 -4.459360467e-01 4.30 -4.277643552e-01 -4.277643552e-01 4.32 -4.098407201e-01 -4.098407201e-01 4.34 -3.922418573e-01 -3.922418573e-01 4.36 -3.752882223e-01 -3.752882223e-01 4.38 -3.592474526e-01 -3.592474526e-01 4.40 -3.442580607e-01 -3.442580607e-01 4.42 -3.297352560e-01 -3.297352560e-01 4.44 -3.151752451e-01 -3.151752451e-01 4.46 -3.002722430e-01 -3.002722430e-01 4.48 -2.849321992e-01 -2.849321992e-01 4.50 -2.695534804e-01 -2.695534804e-01 4.52 -2.546152111e-01 -2.546152111e-01 4.54 -2.404686791e-01 -2.404686791e-01 4.56 -2.273537515e-01 -2.273537515e-01 4.58 -2.153858645e-01 -2.153858645e-01 4.60 -2.045844542e-01 -2.045844542e-01 4.62 -1.948975303e-01 -1.948975303e-01 4.64 -1.862209401e-01 -1.862209401e-01 4.66 -1.784113879e-01 -1.784113879e-01 4.68 -1.712938682e-01 -1.712938682e-01 4.70 -1.646673071e-01 -1.646673071e-01 4.72 -1.583158187e-01 -1.583158187e-01 4.74 -1.520329040e-01 -1.520329040e-01 4.76 -1.456506386e-01 -1.456506386e-01 4.78 -1.391278064e-01 -1.391278064e-01 4.80 -1.324915292e-01 -1.324915292e-01 4.82 -1.257829334e-01 -1.257829334e-01 4.84 -1.190435965e-01 -1.190435965e-01 4.86 -1.123141493e-01 -1.123141493e-01 4.88 -1.056310964e-01 -1.056310964e-01 4.90 -9.902548169e-02 -9.902548169e-02 4.92 -9.252347130e-02 -9.252347130e-02 4.94 -8.614709858e-02 -8.614709858e-02 4.96 -7.991493305e-02 -7.991493305e-02 4.98 -7.384268035e-02 -7.384268035e-02 5.00 -6.794372050e-02 -6.794372050e-02 5.02 -6.222959221e-02 -6.222959221e-02 5.04 -5.671042875e-02 -5.671042875e-02 5.06 -5.139535109e-02 -5.139535109e-02 5.08 -4.629282150e-02 -4.629282150e-02 5.10 -4.141096063e-02 -4.141096063e-02 5.12 -3.675782773e-02 -3.675782773e-02 5.14 -3.234166282e-02 -3.234166282e-02 5.16 -2.817108464e-02 -2.817108464e-02 5.18 -2.425523544e-02 -2.425523544e-02 5.20 -2.060385633e-02 -2.060385633e-02 5.22 -1.722727004e-02 -1.722727004e-02 5.24 -1.413623707e-02 -1.413623707e-02 5.26 -1.134163870e-02 -1.134163870e-02 5.28 -8.853924598e-03 -8.853924598e-03 5.30 -6.682247957e-03 -6.682247957e-03 5.32 -4.833198377e-03 -4.833198377e-03 5.34 -3.309050360e-03 -3.309050360e-03 5.36 -2.105482630e-03 -2.105482630e-03 5.38 -1.208855734e-03 -1.208855734e-03 5.40 -5.933884951e-04 -5.933884951e-04 5.42 -2.190828674e-04 -2.190828674e-04 5.44 -3.193986761e-05 -3.193986761e-05 5.46 3.132684961e-05 3.132684961e-05 5.48 3.248125423e-05 3.248125423e-05 5.50 1.717159550e-05 1.717159550e-05 5.52 6.100264251e-06 6.100264251e-06 5.54 1.449903624e-06 1.449903624e-06 5.56 1.848528562e-07 1.848528562e-07 5.58 7.414528780e-09 7.414528780e-09 5.60 2.520210465e-11 2.520210465e-11 5.62 8.690892541e-15 8.690892541e-15 5.64 4.137800637e-23 4.137800637e-23 5.66 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00