# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Ni-Al-Mn # implementation = 2025--Sharifi-H--Ni-Al-Mn--LAMMPS--ipr1 # composition = AlMnNi2 # 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 2025-07-01 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 9.049130270e+02 9.049130270e+02 1.00 8.250050207e+02 8.250050207e+02 1.02 7.465026844e+02 7.465026844e+02 1.04 6.713061713e+02 6.713061713e+02 1.06 6.006129452e+02 6.006129452e+02 1.08 5.351110383e+02 5.351110383e+02 1.10 4.751177116e+02 4.751177116e+02 1.12 4.206856279e+02 4.206856279e+02 1.14 3.716836701e+02 3.716836701e+02 1.16 3.278580334e+02 3.278580334e+02 1.18 2.888778983e+02 2.888778983e+02 1.20 2.543692151e+02 2.543692151e+02 1.22 2.239393025e+02 2.239393025e+02 1.24 1.971943908e+02 1.971943908e+02 1.26 1.737517961e+02 1.737517961e+02 1.28 1.532480195e+02 1.532480195e+02 1.30 1.353437989e+02 1.353437989e+02 1.32 1.197268949e+02 1.197268949e+02 1.34 1.061132256e+02 1.061132256e+02 1.36 9.424682241e+01 9.424682241e+01 1.38 8.389895900e+01 8.389895900e+01 1.40 7.486674066e+01 7.486674066e+01 1.42 6.697135263e+01 6.697135263e+01 1.44 6.005611788e+01 6.005611788e+01 1.46 5.398448296e+01 5.398448296e+01 1.48 4.863800888e+01 4.863800888e+01 1.50 4.391442568e+01 4.391442568e+01 1.52 3.972578884e+01 3.972578884e+01 1.54 3.599675810e+01 3.599675810e+01 1.56 3.266301501e+01 3.266301501e+01 1.58 2.966982498e+01 2.966982498e+01 1.60 2.697074106e+01 2.697074106e+01 1.62 2.452644598e+01 2.452644598e+01 1.64 2.230372754e+01 2.230372754e+01 1.66 2.027457835e+01 2.027457835e+01 1.68 1.841540986e+01 1.841540986e+01 1.70 1.670636902e+01 1.670636902e+01 1.72 1.513074814e+01 1.513074814e+01 1.74 1.367447769e+01 1.367447769e+01 1.76 1.232567061e+01 1.232567061e+01 1.78 1.107419642e+01 1.107419642e+01 1.80 9.911350556e+00 9.911350556e+00 1.82 8.829617525e+00 8.829617525e+00 1.84 7.822476470e+00 7.822476470e+00 1.86 6.884236215e+00 6.884236215e+00 1.88 6.009898566e+00 6.009898566e+00 1.90 5.195045369e+00 5.195045369e+00 1.92 4.435745603e+00 4.435745603e+00 1.94 3.728477115e+00 3.728477115e+00 1.96 3.070044599e+00 3.070044599e+00 1.98 2.457511866e+00 2.457511866e+00 2.00 1.888148238e+00 1.888148238e+00 2.02 1.359390717e+00 1.359390717e+00 2.04 8.688284558e-01 8.688284558e-01 2.06 4.142009105e-01 4.142009105e-01 2.08 -6.617419867e-03 -6.617419867e-03 2.10 -3.956301957e-01 -3.956301957e-01 2.12 -7.547266667e-01 -7.547266667e-01 2.14 -1.085688593e+00 -1.085688593e+00 2.16 -1.390196716e+00 -1.390196716e+00 2.18 -1.669831066e+00 -1.669831066e+00 2.20 -1.926070715e+00 -1.926070715e+00 2.22 -2.160313121e+00 -2.160313121e+00 2.24 -2.373880779e+00 -2.373880779e+00 2.26 -2.568025351e+00 -2.568025351e+00 2.28 -2.743931567e+00 -2.743931567e+00 2.30 -2.902720897e+00 -2.902720897e+00 2.32 -3.045454978e+00 -3.045454978e+00 2.34 -3.173138853e+00 -3.173138853e+00 2.36 -3.286724006e+00 -3.286724006e+00 2.38 -3.387111197e+00 -3.387111197e+00 2.40 -3.475153148e+00 -3.475153148e+00 2.42 -3.551657044e+00 -3.551657044e+00 2.44 -3.617386891e+00 -3.617386891e+00 2.46 -3.673065825e+00 -3.673065825e+00 2.48 -3.719382525e+00 -3.719382525e+00 2.50 -3.757020753e+00 -3.757020753e+00 2.52 -3.786641375e+00 -3.786641375e+00 2.54 -3.808863212e+00 -3.808863212e+00 2.56 -3.824265386e+00 -3.824265386e+00 2.58 -3.833389773e+00 -3.833389773e+00 2.60 -3.836743276e+00 -3.836743276e+00 2.62 -3.834799919e+00 -3.834799919e+00 2.64 -3.828002790e+00 -3.828002790e+00 2.66 -3.816765820e+00 -3.816765820e+00 2.68 -3.801475445e+00 -3.801475445e+00 2.70 -3.782492136e+00 -3.782492136e+00 2.72 -3.760151840e+00 -3.760151840e+00 2.74 -3.734767332e+00 -3.734767332e+00 2.76 -3.706629519e+00 -3.706629519e+00 2.78 -3.676008703e+00 -3.676008703e+00 2.80 -3.643155817e+00 -3.643155817e+00 2.82 -3.608303655e+00 -3.608303655e+00 2.84 -3.571668086e+00 -3.571668086e+00 2.86 -3.533449236e+00 -3.533449236e+00 2.88 -3.493832647e+00 -3.493832647e+00 2.90 -3.452990367e+00 -3.452990367e+00 2.92 -3.411081962e+00 -3.411081962e+00 2.94 -3.368255450e+00 -3.368255450e+00 2.96 -3.324648125e+00 -3.324648125e+00 2.98 -3.280387300e+00 -3.280387300e+00 3.00 -3.235590951e+00 -3.235590951e+00 3.02 -3.190365986e+00 -3.190365986e+00 3.04 -3.144786739e+00 -3.144786739e+00 3.06 -3.098942124e+00 -3.098942124e+00 3.08 -3.053021956e+00 -3.053021956e+00 3.10 -3.007035500e+00 -3.007035500e+00 3.12 -2.961054040e+00 -2.961054040e+00 3.14 -2.915144150e+00 -2.915144150e+00 3.16 -2.869366745e+00 -2.869366745e+00 3.18 -2.823777459e+00 -2.823777459e+00 3.20 -2.778427014e+00 -2.778427014e+00 3.22 -2.733361562e+00 -2.733361562e+00 3.24 -2.688623018e+00 -2.688623018e+00 3.26 -2.644249361e+00 -2.644249361e+00 3.28 -2.600274928e+00 -2.600274928e+00 3.30 -2.556730675e+00 -2.556730675e+00 3.32 -2.513644426e+00 -2.513644426e+00 3.34 -2.471041098e+00 -2.471041098e+00 3.36 -2.428942912e+00 -2.428942912e+00 3.38 -2.387369580e+00 -2.387369580e+00 3.40 -2.346338475e+00 -2.346338475e+00 3.42 -2.305864788e+00 -2.305864788e+00 3.44 -2.265961662e+00 -2.265961662e+00 3.46 -2.226640316e+00 -2.226640316e+00 3.48 -2.187910150e+00 -2.187910150e+00 3.50 -2.149778843e+00 -2.149778843e+00 3.52 -2.112252429e+00 -2.112252429e+00 3.54 -2.075335375e+00 -2.075335375e+00 3.56 -2.039030640e+00 -2.039030640e+00 3.58 -2.003339739e+00 -2.003339739e+00 3.60 -1.968262792e+00 -1.968262792e+00 3.62 -1.933798578e+00 -1.933798578e+00 3.64 -1.899944588e+00 -1.899944588e+00 3.66 -1.866697079e+00 -1.866697079e+00 3.68 -1.834051134e+00 -1.834051134e+00 3.70 -1.802000727e+00 -1.802000727e+00 3.72 -1.770538793e+00 -1.770538793e+00 3.74 -1.739657310e+00 -1.739657310e+00 3.76 -1.709347385e+00 -1.709347385e+00 3.78 -1.679599349e+00 -1.679599349e+00 3.80 -1.650402863e+00 -1.650402863e+00 3.82 -1.621747022e+00 -1.621747022e+00 3.84 -1.593620472e+00 -1.593620472e+00 3.86 -1.566011527e+00 -1.566011527e+00 3.88 -1.538908284e+00 -1.538908284e+00 3.90 -1.512298737e+00 -1.512298737e+00 3.92 -1.486170894e+00 -1.486170894e+00 3.94 -1.460512876e+00 -1.460512876e+00 3.96 -1.435313018e+00 -1.435313018e+00 3.98 -1.410559954e+00 -1.410559954e+00 4.00 -1.386242696e+00 -1.386242696e+00 4.02 -1.362350692e+00 -1.362350692e+00 4.04 -1.338873880e+00 -1.338873880e+00 4.06 -1.315802723e+00 -1.315802723e+00 4.08 -1.293128230e+00 -1.293128230e+00 4.10 -1.270841971e+00 -1.270841971e+00 4.12 -1.248936070e+00 -1.248936070e+00 4.14 -1.227403197e+00 -1.227403197e+00 4.16 -1.206236544e+00 -1.206236544e+00 4.18 -1.185429795e+00 -1.185429795e+00 4.20 -1.164977091e+00 -1.164977091e+00 4.22 -1.144872989e+00 -1.144872989e+00 4.24 -1.125112416e+00 -1.125112416e+00 4.26 -1.105644121e+00 -1.105644121e+00 4.28 -1.085517113e+00 -1.085517113e+00 4.30 -1.062091223e+00 -1.062091223e+00 4.32 -1.034464779e+00 -1.034464779e+00 4.34 -1.013843002e+00 -1.013843002e+00 4.36 -9.963994510e-01 -9.963994510e-01 4.38 -9.792710198e-01 -9.792710198e-01 4.40 -9.624536377e-01 -9.624536377e-01 4.42 -9.459432101e-01 -9.459432101e-01 4.44 -9.297356145e-01 -9.297356145e-01 4.46 -9.138266966e-01 -9.138266966e-01 4.48 -8.982122698e-01 -8.982122698e-01 4.50 -8.828881148e-01 -8.828881148e-01 4.52 -8.678499814e-01 -8.678499814e-01 4.54 -8.530935910e-01 -8.530935910e-01 4.56 -8.386146401e-01 -8.386146401e-01 4.58 -8.244088047e-01 -8.244088047e-01 4.60 -8.104717450e-01 -8.104717450e-01 4.62 -7.967991109e-01 -7.967991109e-01 4.64 -7.833865472e-01 -7.833865472e-01 4.66 -7.702296993e-01 -7.702296993e-01 4.68 -7.573242189e-01 -7.573242189e-01 4.70 -7.446657691e-01 -7.446657691e-01 4.72 -7.322500301e-01 -7.322500301e-01 4.74 -7.200727036e-01 -7.200727036e-01 4.76 -7.081295180e-01 -7.081295180e-01 4.78 -6.964162323e-01 -6.964162323e-01 4.80 -6.849286400e-01 -6.849286400e-01 4.82 -6.736625729e-01 -6.736625729e-01 4.84 -6.626139039e-01 -6.626139039e-01 4.86 -6.517785502e-01 -6.517785502e-01 4.88 -6.411524750e-01 -6.411524750e-01 4.90 -6.307316905e-01 -6.307316905e-01 4.92 -6.197526939e-01 -6.197526939e-01 4.94 -5.982620684e-01 -5.982620684e-01 4.96 -5.335223892e-01 -5.335223892e-01 4.98 -3.411855188e-01 -3.411855188e-01 5.00 -3.188150823e-22 -3.184792979e-22 5.02 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 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