# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Fe # implementation = 2025--Sharifi-H--Cr-Ni-Fe--LAMMPS--ipr1 # composition = Cr2FeNi # 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 2.004458965e+02 2.004458965e+02 1.00 1.867535664e+02 1.867535664e+02 1.02 1.739186615e+02 1.739186615e+02 1.04 1.618850834e+02 1.618850834e+02 1.06 1.506055162e+02 1.506055162e+02 1.08 1.400384589e+02 1.400384589e+02 1.10 1.301462064e+02 1.301462064e+02 1.12 1.208935214e+02 1.208935214e+02 1.14 1.122468013e+02 1.122468013e+02 1.16 1.041733691e+02 1.041733691e+02 1.18 9.678574392e+01 9.678574392e+01 1.20 9.013707528e+01 9.013707528e+01 1.22 8.407002461e+01 8.407002461e+01 1.24 7.846679509e+01 7.846679509e+01 1.26 7.324102242e+01 7.324102242e+01 1.28 6.833034974e+01 6.833034974e+01 1.30 6.369050829e+01 6.369050829e+01 1.32 5.929063011e+01 5.929063011e+01 1.34 5.510956008e+01 5.510956008e+01 1.36 5.113297429e+01 5.113297429e+01 1.38 4.735120575e+01 4.735120575e+01 1.40 4.375761811e+01 4.375761811e+01 1.42 4.034740350e+01 4.034740350e+01 1.44 3.711671671e+01 3.711671671e+01 1.46 3.406206798e+01 3.406206798e+01 1.48 3.117991819e+01 3.117991819e+01 1.50 2.846642826e+01 2.846642826e+01 1.52 2.591732230e+01 2.591732230e+01 1.54 2.352783370e+01 2.352783370e+01 1.56 2.129270911e+01 2.129270911e+01 1.58 1.920625410e+01 1.920625410e+01 1.60 1.726240328e+01 1.726240328e+01 1.62 1.545480260e+01 1.545480260e+01 1.64 1.377689654e+01 1.377689654e+01 1.66 1.222201417e+01 1.222201417e+01 1.68 1.078345139e+01 1.078345139e+01 1.70 9.454525022e+00 9.454525022e+00 1.72 8.228617527e+00 8.228617527e+00 1.74 7.099238061e+00 7.099238061e+00 1.76 6.060076452e+00 6.060076452e+00 1.78 5.105046481e+00 5.105046481e+00 1.80 4.228319152e+00 4.228319152e+00 1.82 3.424347733e+00 3.424347733e+00 1.84 2.687885169e+00 2.687885169e+00 1.86 2.013994679e+00 2.013994679e+00 1.88 1.398054435e+00 1.398054435e+00 1.90 8.357581423e-01 8.357581423e-01 1.92 3.230883892e-01 3.230883892e-01 1.94 -1.437282059e-01 -1.437282059e-01 1.96 -5.681704011e-01 -5.681704011e-01 1.98 -9.534240142e-01 -9.534240142e-01 2.00 -1.302411212e+00 -1.302411212e+00 2.02 -1.617840176e+00 -1.617840176e+00 2.04 -1.902228658e+00 -1.902228658e+00 2.06 -2.157917315e+00 -2.157917315e+00 2.08 -2.387082035e+00 -2.387082035e+00 2.10 -2.591746383e+00 -2.591746383e+00 2.12 -2.773793473e+00 -2.773793473e+00 2.14 -2.934973225e+00 -2.934973225e+00 2.16 -3.076911208e+00 -3.076911208e+00 2.18 -3.201117587e+00 -3.201117587e+00 2.20 -3.308996076e+00 -3.308996076e+00 2.22 -3.401850177e+00 -3.401850177e+00 2.24 -3.480889747e+00 -3.480889747e+00 2.26 -3.547237510e+00 -3.547237510e+00 2.28 -3.601935113e+00 -3.601935113e+00 2.30 -3.645948745e+00 -3.645948745e+00 2.32 -3.680174378e+00 -3.680174378e+00 2.34 -3.705442629e+00 -3.705442629e+00 2.36 -3.722523287e+00 -3.722523287e+00 2.38 -3.732135322e+00 -3.732135322e+00 2.40 -3.735138092e+00 -3.735138092e+00 2.42 -3.732526307e+00 -3.732526307e+00 2.44 -3.725172674e+00 -3.725172674e+00 2.46 -3.713827490e+00 -3.713827490e+00 2.48 -3.699133511e+00 -3.699133511e+00 2.50 -3.681639195e+00 -3.681639195e+00 2.52 -3.661810487e+00 -3.661810487e+00 2.54 -3.640041286e+00 -3.640041286e+00 2.56 -3.616662730e+00 -3.616662730e+00 2.58 -3.591951422e+00 -3.591951422e+00 2.60 -3.566136713e+00 -3.566136713e+00 2.62 -3.539407123e+00 -3.539407123e+00 2.64 -3.511916013e+00 -3.511916013e+00 2.66 -3.483786566e+00 -3.483786566e+00 2.68 -3.455116166e+00 -3.455116166e+00 2.70 -3.425980228e+00 -3.425980228e+00 2.72 -3.396435552e+00 -3.396435552e+00 2.74 -3.366523237e+00 -3.366523237e+00 2.76 -3.336271219e+00 -3.336271219e+00 2.78 -3.305696463e+00 -3.305696463e+00 2.80 -3.274806868e+00 -3.274806868e+00 2.82 -3.243602892e+00 -3.243602892e+00 2.84 -3.212078961e+00 -3.212078961e+00 2.86 -3.180224672e+00 -3.180224672e+00 2.88 -3.148025829e+00 -3.148025829e+00 2.90 -3.115465330e+00 -3.115465330e+00 2.92 -3.082523940e+00 -3.082523940e+00 2.94 -3.049180973e+00 -3.049180973e+00 2.96 -3.015414890e+00 -3.015414890e+00 2.98 -2.981203865e+00 -2.981203865e+00 3.00 -2.946526314e+00 -2.946526314e+00 3.02 -2.911361418e+00 -2.911361418e+00 3.04 -2.875689669e+00 -2.875689669e+00 3.06 -2.839493435e+00 -2.839493435e+00 3.08 -2.802757583e+00 -2.802757583e+00 3.10 -2.765470150e+00 -2.765470150e+00 3.12 -2.727623084e+00 -2.727623084e+00 3.14 -2.689213043e+00 -2.689213043e+00 3.16 -2.650242250e+00 -2.650242250e+00 3.18 -2.610719374e+00 -2.610719374e+00 3.20 -2.570660411e+00 -2.570660411e+00 3.22 -2.530089522e+00 -2.530089522e+00 3.24 -2.489039765e+00 -2.489039765e+00 3.26 -2.447553653e+00 -2.447553653e+00 3.28 -2.405683475e+00 -2.405683475e+00 3.30 -2.363491295e+00 -2.363491295e+00 3.32 -2.321048566e+00 -2.321048566e+00 3.34 -2.278435322e+00 -2.278435322e+00 3.36 -2.235738904e+00 -2.235738904e+00 3.38 -2.193052243e+00 -2.193052243e+00 3.40 -2.150471746e+00 -2.150471746e+00 3.42 -2.108094873e+00 -2.108094873e+00 3.44 -2.066017515e+00 -2.066017515e+00 3.46 -2.024331339e+00 -2.024331339e+00 3.48 -1.983121253e+00 -1.983121253e+00 3.50 -1.942463147e+00 -1.942463147e+00 3.52 -1.902422057e+00 -1.902422057e+00 3.54 -1.863050848e+00 -1.863050848e+00 3.56 -1.824389495e+00 -1.824389495e+00 3.58 -1.786464963e+00 -1.786464963e+00 3.60 -1.749291664e+00 -1.749291664e+00 3.62 -1.712872417e+00 -1.712872417e+00 3.64 -1.677199821e+00 -1.677199821e+00 3.66 -1.642257899e+00 -1.642257899e+00 3.68 -1.608023919e+00 -1.608023919e+00 3.70 -1.574470247e+00 -1.574470247e+00 3.72 -1.541566145e+00 -1.541566145e+00 3.74 -1.509279417e+00 -1.509279417e+00 3.76 -1.477577843e+00 -1.477577843e+00 3.78 -1.446430367e+00 -1.446430367e+00 3.80 -1.415808016e+00 -1.415808016e+00 3.82 -1.385684551e+00 -1.385684551e+00 3.84 -1.356036867e+00 -1.356036867e+00 3.86 -1.326845179e+00 -1.326845179e+00 3.88 -1.298093012e+00 -1.298093012e+00 3.90 -1.269767051e+00 -1.269767051e+00 3.92 -1.241856877e+00 -1.241856877e+00 3.94 -1.214354636e+00 -1.214354636e+00 3.96 -1.187254669e+00 -1.187254669e+00 3.98 -1.160553128e+00 -1.160553128e+00 4.00 -1.134247606e+00 -1.134247606e+00 4.02 -1.108336793e+00 -1.108336793e+00 4.04 -1.082820171e+00 -1.082820171e+00 4.06 -1.057697748e+00 -1.057697748e+00 4.08 -1.032969841e+00 -1.032969841e+00 4.10 -1.008636899e+00 -1.008636899e+00 4.12 -9.846993655e-01 -9.846993655e-01 4.14 -9.611575747e-01 -9.611575747e-01 4.16 -9.380116796e-01 -9.380116796e-01 4.18 -9.152616002e-01 -9.152616002e-01 4.20 -8.929069918e-01 -8.929069918e-01 4.22 -8.709472268e-01 -8.709472268e-01 4.24 -8.493813876e-01 -8.493813876e-01 4.26 -8.280923158e-01 -8.280923158e-01 4.28 -8.047161548e-01 -8.047161548e-01 4.30 -7.717620083e-01 -7.717620083e-01 4.32 -7.200325380e-01 -7.200325380e-01 4.34 -6.887576600e-01 -6.887576600e-01 4.36 -6.708942856e-01 -6.708942856e-01 4.38 -6.533811293e-01 -6.533811293e-01 4.40 -6.362156701e-01 -6.362156701e-01 4.42 -6.193951870e-01 -6.193951870e-01 4.44 -6.029167711e-01 -6.029167711e-01 4.46 -5.867773377e-01 -5.867773377e-01 4.48 -5.709736374e-01 -5.709736374e-01 4.50 -5.555022682e-01 -5.555022682e-01 4.52 -5.403596857e-01 -5.403596857e-01 4.54 -5.255422146e-01 -5.255422146e-01 4.56 -5.110460586e-01 -5.110460586e-01 4.58 -4.968673107e-01 -4.968673107e-01 4.60 -4.830019627e-01 -4.830019627e-01 4.62 -4.694459150e-01 -4.694459150e-01 4.64 -4.561949852e-01 -4.561949852e-01 4.66 -4.432449173e-01 -4.432449173e-01 4.68 -4.305913896e-01 -4.305913896e-01 4.70 -4.182300230e-01 -4.182300230e-01 4.72 -4.061563887e-01 -4.061563887e-01 4.74 -3.943660156e-01 -3.943660156e-01 4.76 -3.828543973e-01 -3.828543973e-01 4.78 -3.716169986e-01 -3.716169986e-01 4.80 -3.606492625e-01 -3.606492625e-01 4.82 -3.499466156e-01 -3.499466156e-01 4.84 -3.395044745e-01 -3.395044745e-01 4.86 -3.293182508e-01 -3.293182508e-01 4.88 -3.193833566e-01 -3.193833566e-01 4.90 -3.096952096e-01 -3.096952096e-01 4.92 -2.992972127e-01 -2.992972127e-01 4.94 -2.764478331e-01 -2.764478331e-01 4.96 -2.141694047e-01 -2.141694047e-01 4.98 -9.606525694e-02 -9.606525694e-02 5.00 -6.843846296e-24 -6.847513358e-24 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