# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Huang-S-Xiong-Y-Ma-S-et-al--Ni-Al-Co-Ti # implementation = 2024--Huang-S--Ni-Al-Co-Ti--LAMMPS--ipr1 # composition = CoNiTi2 # 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 6.636453731e+02 6.636453731e+02 1.00 6.021407129e+02 6.021407129e+02 1.02 5.445424816e+02 5.445424816e+02 1.04 4.909263973e+02 4.909263973e+02 1.06 4.415055487e+02 4.415055487e+02 1.08 3.963075489e+02 3.963075489e+02 1.10 3.552320523e+02 3.552320523e+02 1.12 3.180938560e+02 3.180938560e+02 1.14 2.846548781e+02 2.846548781e+02 1.16 2.546476110e+02 2.546476110e+02 1.18 2.277920424e+02 2.277920424e+02 1.20 2.038076259e+02 2.038076259e+02 1.22 1.824215067e+02 1.824215067e+02 1.24 1.633739435e+02 1.633739435e+02 1.26 1.464216502e+02 1.464216502e+02 1.28 1.313396112e+02 1.313396112e+02 1.30 1.179218009e+02 1.179218009e+02 1.32 1.059811249e+02 1.059811249e+02 1.34 9.534883175e+01 9.534883175e+01 1.36 8.587357858e+01 8.587357858e+01 1.38 7.742028258e+01 7.742028258e+01 1.40 6.986886275e+01 6.986886275e+01 1.42 6.311294169e+01 6.311294169e+01 1.44 5.705855590e+01 5.705855590e+01 1.46 5.162291300e+01 5.162291300e+01 1.48 4.673321494e+01 4.673321494e+01 1.50 4.232556130e+01 4.232556130e+01 1.52 3.834394157e+01 3.834394157e+01 1.54 3.473931548e+01 3.473931548e+01 1.56 3.146878236e+01 3.146878236e+01 1.58 2.849483604e+01 2.849483604e+01 1.60 2.578469901e+01 2.578469901e+01 1.62 2.330973181e+01 2.330973181e+01 1.64 2.104491085e+01 2.104491085e+01 1.66 1.896836781e+01 1.896836781e+01 1.68 1.706098572e+01 1.706098572e+01 1.70 1.530604481e+01 1.530604481e+01 1.72 1.368890584e+01 1.368890584e+01 1.74 1.219667447e+01 1.219667447e+01 1.76 1.081792182e+01 1.081792182e+01 1.78 9.542501608e+00 9.542501608e+00 1.80 8.361395835e+00 8.361395835e+00 1.82 7.266580155e+00 7.266580155e+00 1.84 6.250906659e+00 6.250906659e+00 1.86 5.308001703e+00 5.308001703e+00 1.88 4.432176696e+00 4.432176696e+00 1.90 3.618350357e+00 3.618350357e+00 1.92 2.861980695e+00 2.861980695e+00 1.94 2.159005433e+00 2.159005433e+00 1.96 1.505789823e+00 1.505789823e+00 1.98 8.990806732e-01 8.990806732e-01 2.00 3.359658063e-01 3.359658063e-01 2.02 -1.861644680e-01 -1.861644680e-01 2.04 -6.696760817e-01 -6.696760817e-01 2.06 -1.116777976e+00 -1.116777976e+00 2.08 -1.529562881e+00 -1.529562881e+00 2.10 -1.910014628e+00 -1.910014628e+00 2.12 -2.260013526e+00 -2.260013526e+00 2.14 -2.581341486e+00 -2.581341486e+00 2.16 -2.875686906e+00 -2.875686906e+00 2.18 -3.144649307e+00 -3.144649307e+00 2.20 -3.389743761e+00 -3.389743761e+00 2.22 -3.612405099e+00 -3.612405099e+00 2.24 -3.813991913e+00 -3.813991913e+00 2.26 -3.995790375e+00 -3.995790375e+00 2.28 -4.159017862e+00 -4.159017862e+00 2.30 -4.304826410e+00 -4.304826410e+00 2.32 -4.434306003e+00 -4.434306003e+00 2.34 -4.548487698e+00 -4.548487698e+00 2.36 -4.648346602e+00 -4.648346602e+00 2.38 -4.734804703e+00 -4.734804703e+00 2.40 -4.808733562e+00 -4.808733562e+00 2.42 -4.870956878e+00 -4.870956878e+00 2.44 -4.922252922e+00 -4.922252922e+00 2.46 -4.963356859e+00 -4.963356859e+00 2.48 -4.994962951e+00 -4.994962951e+00 2.50 -5.017726653e+00 -5.017726653e+00 2.52 -5.032266609e+00 -5.032266609e+00 2.54 -5.039166547e+00 -5.039166547e+00 2.56 -5.038977086e+00 -5.038977086e+00 2.58 -5.032217442e+00 -5.032217442e+00 2.60 -5.019377067e+00 -5.019377067e+00 2.62 -5.000917191e+00 -5.000917191e+00 2.64 -4.977272300e+00 -4.977272300e+00 2.66 -4.948851530e+00 -4.948851530e+00 2.68 -4.916040003e+00 -4.916040003e+00 2.70 -4.879200086e+00 -4.879200086e+00 2.72 -4.838672597e+00 -4.838672597e+00 2.74 -4.794777940e+00 -4.794777940e+00 2.76 -4.747817195e+00 -4.747817195e+00 2.78 -4.698073146e+00 -4.698073146e+00 2.80 -4.645811257e+00 -4.645811257e+00 2.82 -4.591280604e+00 -4.591280604e+00 2.84 -4.534714756e+00 -4.534714756e+00 2.86 -4.476332613e+00 -4.476332613e+00 2.88 -4.416339204e+00 -4.416339204e+00 2.90 -4.354926438e+00 -4.354926438e+00 2.92 -4.292273824e+00 -4.292273824e+00 2.94 -4.228549150e+00 -4.228549150e+00 2.96 -4.163909134e+00 -4.163909134e+00 2.98 -4.098500028e+00 -4.098500028e+00 3.00 -4.032458208e+00 -4.032458208e+00 3.02 -3.965910722e+00 -3.965910722e+00 3.04 -3.898975817e+00 -3.898975817e+00 3.06 -3.831763430e+00 -3.831763430e+00 3.08 -3.764375658e+00 -3.764375658e+00 3.10 -3.696907217e+00 -3.696907217e+00 3.12 -3.629445857e+00 -3.629445857e+00 3.14 -3.562072763e+00 -3.562072763e+00 3.16 -3.494862936e+00 -3.494862936e+00 3.18 -3.427885558e+00 -3.427885558e+00 3.20 -3.361204330e+00 -3.361204330e+00 3.22 -3.294877798e+00 -3.294877798e+00 3.24 -3.228959663e+00 -3.228959663e+00 3.26 -3.163499065e+00 -3.163499065e+00 3.28 -3.098540867e+00 -3.098540867e+00 3.30 -3.034125910e+00 -3.034125910e+00 3.32 -2.970291264e+00 -2.970291264e+00 3.34 -2.907070460e+00 -2.907070460e+00 3.36 -2.844493716e+00 -2.844493716e+00 3.38 -2.782588141e+00 -2.782588141e+00 3.40 -2.721377939e+00 -2.721377939e+00 3.42 -2.660884595e+00 -2.660884595e+00 3.44 -2.601127052e+00 -2.601127052e+00 3.46 -2.542121883e+00 -2.542121883e+00 3.48 -2.483883448e+00 -2.483883448e+00 3.50 -2.426424046e+00 -2.426424046e+00 3.52 -2.369754057e+00 -2.369754057e+00 3.54 -2.313882077e+00 -2.313882077e+00 3.56 -2.258815047e+00 -2.258815047e+00 3.58 -2.204558374e+00 -2.204558374e+00 3.60 -2.151116043e+00 -2.151116043e+00 3.62 -2.098490728e+00 -2.098490728e+00 3.64 -2.046683892e+00 -2.046683892e+00 3.66 -1.995695884e+00 -1.995695884e+00 3.68 -1.945526030e+00 -1.945526030e+00 3.70 -1.896172724e+00 -1.896172724e+00 3.72 -1.847633500e+00 -1.847633500e+00 3.74 -1.799905119e+00 -1.799905119e+00 3.76 -1.752983635e+00 -1.752983635e+00 3.78 -1.706864466e+00 -1.706864466e+00 3.80 -1.661542461e+00 -1.661542461e+00 3.82 -1.617011958e+00 -1.617011958e+00 3.84 -1.573266842e+00 -1.573266842e+00 3.86 -1.530300603e+00 -1.530300603e+00 3.88 -1.488106382e+00 -1.488106382e+00 3.90 -1.446677025e+00 -1.446677025e+00 3.92 -1.406005123e+00 -1.406005123e+00 3.94 -1.366083060e+00 -1.366083060e+00 3.96 -1.326903047e+00 -1.326903047e+00 3.98 -1.288457166e+00 -1.288457166e+00 4.00 -1.250737401e+00 -1.250737401e+00 4.02 -1.213735672e+00 -1.213735672e+00 4.04 -1.177443864e+00 -1.177443864e+00 4.06 -1.141853857e+00 -1.141853857e+00 4.08 -1.106957552e+00 -1.106957552e+00 4.10 -1.072746895e+00 -1.072746895e+00 4.12 -1.039213898e+00 -1.039213898e+00 4.14 -1.006350656e+00 -1.006350656e+00 4.16 -9.741493727e-01 -9.741493727e-01 4.18 -9.426023680e-01 -9.426023680e-01 4.20 -9.117020965e-01 -9.117020965e-01 4.22 -8.814411578e-01 -8.814411578e-01 4.24 -8.518123063e-01 -8.518123063e-01 4.26 -8.224359291e-01 -8.224359291e-01 4.28 -7.852875448e-01 -7.852875448e-01 4.30 -7.108389344e-01 -7.108389344e-01 4.32 -5.809972522e-01 -5.809972522e-01 4.34 -5.413936231e-01 -5.413936231e-01 4.36 -5.222843422e-01 -5.222843422e-01 4.38 -5.038473563e-01 -5.038473563e-01 4.40 -4.860578563e-01 -4.860578563e-01 4.42 -4.688911164e-01 -4.688911164e-01 4.44 -4.523226295e-01 -4.523226295e-01 4.46 -4.363282309e-01 -4.363282309e-01 4.48 -4.208842084e-01 -4.208842084e-01 4.50 -4.059674004e-01 -4.059674004e-01 4.52 -3.915552799e-01 -3.915552799e-01 4.54 -3.776260247e-01 -3.776260247e-01 4.56 -3.641585756e-01 -3.641585756e-01 4.58 -3.511326809e-01 -3.511326809e-01 4.60 -3.385289292e-01 -3.385289292e-01 4.62 -3.263287712e-01 -3.263287712e-01 4.64 -3.145145308e-01 -3.145145308e-01 4.66 -3.030694070e-01 -3.030694070e-01 4.68 -2.919774672e-01 -2.919774672e-01 4.70 -2.812236334e-01 -2.812236334e-01 4.72 -2.707936624e-01 -2.707936624e-01 4.74 -2.606741195e-01 -2.606741195e-01 4.76 -2.508523496e-01 -2.508523496e-01 4.78 -2.413164435e-01 -2.413164435e-01 4.80 -2.320552028e-01 -2.320552028e-01 4.82 -2.230581021e-01 -2.230581021e-01 4.84 -2.143152512e-01 -2.143152512e-01 4.86 -2.058173566e-01 -2.058173566e-01 4.88 -1.975556831e-01 -1.975556831e-01 4.90 -1.895220162e-01 -1.895220162e-01 4.92 -1.818035959e-01 -1.818035959e-01 4.94 -1.755443683e-01 -1.755443683e-01 4.96 -1.692168654e-01 -1.692168654e-01 4.98 -1.291914734e-01 -1.291914734e-01 5.00 -4.380014765e-22 -4.378176971e-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 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