# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Choi-W-M-Kim-Y-Seol-D-Lee-B-J--Co-Cr # implementation = 2017--Choi-W-M--Co-Cr--LAMMPS--ipr1 # composition = CoCr3 # 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 A15--Cr3Si D0_3--BiF3 L1_2--AuCu3 0.50 nan nan nan 0.52 nan nan nan 0.54 nan nan nan 0.56 nan nan nan 0.58 nan nan nan 0.60 nan nan nan 0.62 nan nan nan 0.64 nan nan nan 0.66 nan nan nan 0.68 nan nan nan 0.70 nan nan nan 0.72 nan nan nan 0.74 nan nan nan 0.76 nan nan nan 0.78 9.746361592e+02 nan nan 0.80 8.999606020e+02 nan nan 0.82 8.307333942e+02 nan nan 0.84 7.665715801e+02 8.303342585e+02 nan 0.86 7.071182381e+02 7.717831962e+02 9.790395427e+02 0.88 6.520408314e+02 7.171314397e+02 9.135285598e+02 0.90 6.010296479e+02 6.661302629e+02 8.521529859e+02 0.92 5.537961586e+02 6.185462385e+02 7.946634522e+02 0.94 5.100715811e+02 5.741603143e+02 7.408249685e+02 0.96 4.696055880e+02 5.327669595e+02 6.904161431e+02 0.98 4.321651252e+02 4.941733740e+02 6.432285026e+02 1.00 3.975332178e+02 4.581987240e+02 5.990657629e+02 1.02 3.655078174e+02 4.246734218e+02 5.577431358e+02 1.04 3.359008183e+02 3.934384482e+02 5.190866758e+02 1.06 3.085372324e+02 3.643447142e+02 4.829326646e+02 1.08 2.832543147e+02 3.372524734e+02 4.491270832e+02 1.10 2.599007258e+02 3.120307551e+02 4.175250554e+02 1.12 2.383357078e+02 2.885568126e+02 3.879902395e+02 1.14 2.184283885e+02 2.667156245e+02 3.603943443e+02 1.16 2.000571473e+02 2.463994257e+02 3.346166763e+02 1.18 1.831090710e+02 2.275072671e+02 3.105437120e+02 1.20 1.674792734e+02 2.099445998e+02 2.880686911e+02 1.22 1.530702766e+02 1.936228843e+02 2.670912326e+02 1.24 1.397915013e+02 1.784592131e+02 2.475169256e+02 1.26 1.275587936e+02 1.643759586e+02 2.292569608e+02 1.28 1.162940261e+02 1.513004710e+02 2.122279078e+02 1.30 1.059246993e+02 1.391647728e+02 1.963514114e+02 1.32 9.638350796e+01 1.279052684e+02 1.815538914e+02 1.34 8.760795984e+01 1.174624724e+02 1.677662605e+02 1.36 7.953994991e+01 1.077807528e+02 1.549236595e+02 1.38 7.212556468e+01 9.880809137e+01 1.429652062e+02 1.40 6.531484188e+01 9.049585715e+01 1.318337602e+02 1.42 5.906149207e+01 8.279859802e+01 1.214757167e+02 1.44 5.332264990e+01 7.567385845e+01 1.118408739e+02 1.46 4.805861404e+01 6.908197254e+01 1.028821481e+02 1.48 4.323257947e+01 6.298587897e+01 9.455534599e+01 1.50 3.881044415e+01 5.735095760e+01 8.681899760e+01 1.52 3.476065237e+01 5.214487594e+01 7.963419846e+01 1.54 3.105401951e+01 4.733744494e+01 7.296445999e+01 1.56 2.766365910e+01 4.290048334e+01 6.677556791e+01 1.58 2.456476076e+01 3.880769046e+01 6.103544874e+01 1.60 2.173435150e+01 3.503452652e+01 5.571404359e+01 1.62 1.915116468e+01 3.155810037e+01 5.078318885e+01 1.64 1.679551558e+01 2.835705823e+01 4.621647736e+01 1.66 1.464917730e+01 2.541146865e+01 4.198907987e+01 1.68 1.269529416e+01 2.270275305e+01 3.807774964e+01 1.70 1.091831663e+01 2.021360471e+01 3.446075574e+01 1.72 9.303916873e+00 1.792790573e+01 3.111778751e+01 1.74 7.838853760e+00 1.583064902e+01 2.802986486e+01 1.76 6.510891287e+00 1.390786536e+01 2.517925418e+01 1.78 5.308708840e+00 1.214655504e+01 2.254938946e+01 1.80 4.221726630e+00 1.053462380e+01 2.012479847e+01 1.82 3.240148238e+00 9.060822941e+00 1.789103309e+01 1.84 2.354967187e+00 7.714693122e+00 1.583460407e+01 1.86 1.557906168e+00 6.486511850e+00 1.394291993e+01 1.88 8.413608940e-01 5.367244844e+00 1.220423219e+01 1.90 1.983597796e-01 4.348516027e+00 1.060765353e+01 1.92 -3.774859971e-01 3.422562420e+00 9.143098346e+00 1.94 -8.920439425e-01 2.582172567e+00 7.801139891e+00 1.96 -1.350733190e+00 1.820648725e+00 6.572965504e+00 1.98 -1.758565437e+00 1.131772634e+00 5.450339658e+00 2.00 -2.120131016e+00 5.097734401e-01 4.425569033e+00 2.02 -2.439629491e+00 -5.070233529e-02 3.491469563e+00 2.04 -2.720901318e+00 -5.546189309e-01 2.641335290e+00 2.06 -2.967401771e+00 -1.006577672e+00 1.868908992e+00 2.08 -3.182157114e+00 -1.410841629e+00 1.168354447e+00 2.10 -3.367934219e+00 -1.771358673e+00 5.342302911e-01 2.12 -3.527283918e+00 -2.091783070e+00 -3.853464785e-02 2.14 -3.662556710e+00 -2.375495658e+00 -5.546645950e-01 2.16 -3.775917385e+00 -2.625622732e+00 -1.018558733e+00 2.18 -3.869363163e+00 -2.845059749e+00 -1.434339039e+00 2.20 -3.944740379e+00 -3.036506249e+00 -1.805952405e+00 2.22 -4.003696408e+00 -3.202457361e+00 -2.137081593e+00 2.24 -4.047730504e+00 -3.345210817e+00 -2.431129272e+00 2.26 -4.078224886e+00 -3.466881292e+00 -2.691238179e+00 2.28 -4.096457572e+00 -3.569413755e+00 -2.920309894e+00 2.30 -4.103616474e+00 -3.654595912e+00 -3.121022360e+00 2.32 -4.100743795e+00 -3.724069782e+00 -3.295846175e+00 2.34 -4.088837210e+00 -3.779342477e+00 -3.447059790e+00 2.36 -4.068817735e+00 -3.821796238e+00 -3.576763639e+00 2.38 -4.041521096e+00 -3.852697758e+00 -3.686893301e+00 2.40 -4.007713442e+00 -3.873206866e+00 -3.779231734e+00 2.42 -3.968096397e+00 -3.884384592e+00 -3.855420660e+00 2.44 -3.923311753e+00 -3.887200671e+00 -3.916971158e+00 2.46 -3.873945845e+00 -3.882533616e+00 -3.965263158e+00 2.48 -3.820533616e+00 -3.871159057e+00 -4.001527375e+00 2.50 -3.763562317e+00 -3.853779813e+00 -4.026889885e+00 2.52 -3.703465294e+00 -3.831012278e+00 -4.042351218e+00 2.54 -3.640618547e+00 -3.803372989e+00 -4.048765752e+00 2.56 -3.575363071e+00 -3.771334224e+00 -4.046924676e+00 2.58 -3.508009544e+00 -3.735332763e+00 -4.037568743e+00 2.60 -3.438840476e+00 -3.695772119e+00 -4.021391240e+00 2.62 -3.368112243e+00 -3.653024617e+00 -3.999040765e+00 2.64 -3.296057007e+00 -3.607433354e+00 -3.971123840e+00 2.66 -3.222884546e+00 -3.559314027e+00 -3.938207345e+00 2.68 -3.148784006e+00 -3.508956635e+00 -3.900820803e+00 2.70 -3.073925593e+00 -3.456627089e+00 -3.859458510e+00 2.72 -2.998462222e+00 -3.402568691e+00 -3.814581524e+00 2.74 -2.922531140e+00 -3.347003532e+00 -3.766619524e+00 2.76 -2.846255539e+00 -3.290133782e+00 -3.715972536e+00 2.78 -2.769746187e+00 -3.232142899e+00 -3.663023357e+00 2.80 -2.693103081e+00 -3.173196743e+00 -3.608209365e+00 2.82 -2.616417155e+00 -3.113444626e+00 -3.551921914e+00 2.84 -2.539772040e+00 -3.053020275e+00 -3.494046875e+00 2.86 -2.463245901e+00 -2.992042741e+00 -3.435019784e+00 2.88 -2.386913347e+00 -2.930617251e+00 -3.375170071e+00 2.90 -2.310847414e+00 -2.868836010e+00 -3.314729826e+00 2.92 -2.235121587e+00 -2.806778975e+00 -3.253911992e+00 2.94 -2.159811856e+00 -2.744514609e+00 -3.192911468e+00 2.96 -2.084998723e+00 -2.682100636e+00 -3.131906248e+00 2.98 -2.010769110e+00 -2.619584824e+00 -3.071058587e+00 3.00 -1.937218059e+00 -2.557005818e+00 -3.010516243e+00 3.02 -1.864450110e+00 -2.494394056e+00 -2.950413785e+00 3.04 -1.792580227e+00 -2.431772820e+00 -2.890873955e+00 3.06 -1.721734131e+00 -2.369159453e+00 -2.832009051e+00 3.08 -1.652047898e+00 -2.306566798e+00 -2.773922229e+00 3.10 -1.583666713e+00 -2.244004914e+00 -2.716708587e+00 3.12 -1.516742713e+00 -2.181483122e+00 -2.660455844e+00 3.14 -1.451431901e+00 -2.119012410e+00 -2.605244341e+00 3.16 -1.387890204e+00 -2.056608235e+00 -2.551146139e+00 3.18 -1.326268846e+00 -1.994293709e+00 -2.498222999e+00 3.20 -1.267644605e+00 -1.932103098e+00 -2.446523212e+00 3.22 -1.237541088e+00 -1.870085519e+00 -2.396077507e+00 3.24 -1.296689179e+00 -1.808308622e+00 -2.346894590e+00 3.26 -1.116228068e+00 -1.746861937e+00 -2.298957221e+00 3.28 -1.049571539e+00 -1.685859495e+00 -2.252219936e+00 3.30 -1.029864308e+00 -1.625441231e+00 -2.206609453e+00 3.32 -1.010892150e+00 -1.565772683e+00 -2.162028428e+00 3.34 -9.924449112e-01 -1.507042509e+00 -2.118362508e+00 3.36 -9.743054497e-01 -1.449457545e+00 -2.075489843e+00 3.38 -9.562617373e-01 -1.393235071e+00 -2.033291561e+00 3.40 -9.381206653e-01 -1.336901186e+00 -1.991661439e+00 3.42 -9.197218140e-01 -1.265528834e+00 -1.950513224e+00 3.44 -9.009491105e-01 -1.154122157e+00 -1.909784665e+00 3.46 -8.817384190e-01 -1.026897146e+00 -1.869438096e+00 3.48 -8.620796817e-01 -9.824728481e-01 -1.829458105e+00 3.50 -8.417580247e-01 -9.452424811e-01 -1.789847276e+00 3.52 -8.085197288e-01 -9.100744298e-01 -1.750621080e+00 3.54 -7.108831505e-01 -8.768679369e-01 -1.711802888e+00 3.56 -4.239280374e-01 -8.454967476e-01 -1.673419740e+00 3.58 -2.872269860e-01 -8.158181802e-01 -1.635499193e+00 3.60 -2.783156411e-01 -7.876819968e-01 -1.598067268e+00 3.62 -2.696601937e-01 -7.609383377e-01 -1.561147338e+00 3.64 -2.612548784e-01 -7.354442063e-01 -1.524759705e+00 3.66 -2.530939338e-01 -7.110682350e-01 -1.488921607e+00 3.68 -2.451716153e-01 -6.876936870e-01 -1.453647449e+00 3.70 -2.374822056e-01 -6.652198316e-01 -1.418949110e+00 3.72 -2.300200252e-01 -6.435619550e-01 -1.384836243e+00 3.74 -2.227794410e-01 -6.226503418e-01 -1.351316534e+00 3.76 -2.157548745e-01 -6.024285745e-01 -1.318395923e+00 3.78 -2.089408091e-01 -5.828514759e-01 -1.286078770e+00 3.80 -2.023317959e-01 -5.638829670e-01 -1.254368010e+00 3.82 -1.959224598e-01 -5.454940402e-01 -1.223265272e+00 3.84 -1.897075038e-01 -5.276609789e-01 -1.192771003e+00 3.86 -1.836817140e-01 -5.103638874e-01 -1.162884560e+00 3.88 -1.778399625e-01 -4.935855432e-01 -1.133604316e+00 3.90 -1.721772109e-01 -4.773105469e-01 -1.104927742e+00 3.92 -1.662064346e-01 -4.601338099e-01 -1.074256209e+00 3.94 -1.539580537e-01 -4.249025515e-01 -1.008950133e+00 3.96 -1.213690815e-01 -3.318362469e-01 -8.266281950e-01 3.98 -5.772178574e-02 -1.536915257e-01 -4.348922434e-01 4.00 -2.438779512e-24 -8.153079811e-23 -8.882617724e-23 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.00 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00