# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2020--Groger-R-Vitek-V-Dlouhy-A--Co-Cr-Fe-Mn-Ni # implementation = 2020--Groger-R--Co-Cr-Fe-Mn-Ni--LAMMPS--ipr1 # composition = CoMn3 # 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 nan nan nan 0.80 nan nan nan 0.82 nan nan nan 0.84 nan nan nan 0.86 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 4.782937097e+04 nan nan 1.02 3.766851166e+04 nan nan 1.04 2.979976163e+04 nan nan 1.06 2.367646397e+04 nan nan 1.08 1.888920917e+04 nan nan 1.10 1.512970366e+04 3.773359284e+04 nan 1.12 1.216457526e+04 3.035799306e+04 4.046825171e+04 1.14 9.816271872e+03 2.451477820e+04 3.268426064e+04 1.16 7.949052109e+03 1.986694625e+04 2.649217633e+04 1.18 6.458651434e+03 1.615561235e+04 2.154729711e+04 1.20 5.264620293e+03 1.318099792e+04 1.758361359e+04 1.22 4.304612057e+03 1.078826085e+04 1.439494259e+04 1.24 3.530105952e+03 8.856878950e+03 1.182079471e+04 1.26 2.903186294e+03 7.292659475e+03 9.735736800e+03 1.28 2.394108359e+03 6.021695388e+03 8.041346004e+03 1.30 1.979447695e+03 4.985773124e+03 6.660096375e+03 1.32 1.640689563e+03 4.138871058e+03 5.530695067e+03 1.34 1.363147688e+03 3.444475645e+03 4.604509651e+03 1.36 1.135131858e+03 2.873515380e+03 3.842817834e+03 1.38 9.473056430e+02 2.402766366e+03 3.214684608e+03 1.40 7.921878201e+02 2.013615815e+03 2.695315341e+03 1.42 6.637652566e+02 1.691098698e+03 2.264773506e+03 1.44 5.571905621e+02 1.423145648e+03 1.906979762e+03 1.46 4.685441221e+02 1.199994169e+03 1.608927329e+03 1.48 3.946472577e+02 1.013725020e+03 1.360063970e+03 1.50 3.329152301e+02 8.578964337e+02 1.151804777e+03 1.52 2.812404036e+02 7.272537263e+02 9.771464403e+02 1.54 2.378994538e+02 6.174991960e+02 8.303605121e+02 1.56 2.014798927e+02 5.251086815e+02 7.067486816e+02 1.58 1.708213885e+02 4.471849839e+02 6.024482828e+02 1.60 1.449684662e+02 3.813408703e+02 5.142758140e+02 1.62 1.231322066e+02 3.256044290e+02 4.396013747e+02 1.64 1.046596377e+02 2.783425659e+02 3.762469615e+02 1.66 8.900934872e+01 2.382000262e+02 3.224050381e+02 1.68 7.573153107e+01 2.040497577e+02 2.765723069e+02 1.70 6.445169504e+01 1.749525178e+02 2.374958209e+02 1.72 5.485720424e+01 1.501240641e+02 2.041292102e+02 1.74 4.668659636e+01 1.289083511e+02 1.755965474e+02 1.76 3.972092075e+01 1.107553919e+02 1.511632890e+02 1.78 3.377651816e+01 9.520304831e+01 1.302123746e+02 1.80 2.869910686e+01 8.186240257e+01 1.122245191e+02 1.82 2.435883424e+01 7.040566233e+01 9.676200252e+01 1.84 2.064603681e+01 6.055597355e+01 8.345528499e+01 1.86 1.746796669e+01 5.207916617e+01 7.199154319e+01 1.88 1.474612594e+01 4.477692519e+01 6.210532991e+01 1.90 1.241402377e+01 3.848107184e+01 5.357130378e+01 1.92 1.041529917e+01 3.304880281e+01 4.619789620e+01 1.94 8.702092049e+00 2.835854490e+01 3.982187749e+01 1.96 7.233730142e+00 2.430649521e+01 3.430399044e+01 1.98 5.975544462e+00 2.080381357e+01 2.952541060e+01 2.00 4.897861194e+00 1.777451940e+01 2.538459653e+01 2.02 3.975240042e+00 1.515358751e+01 2.179452419e+01 2.04 3.185881728e+00 1.288530905e+01 1.868047614e+01 2.06 2.511108620e+00 1.092180850e+01 1.597829621e+01 2.08 1.934908218e+00 9.221949599e+00 1.363284683e+01 2.10 1.443547860e+00 7.750350368e+00 1.159669435e+01 2.12 1.025250030e+00 6.476529137e+00 9.828897405e+00 2.14 6.699184940e-01 5.374204578e+00 8.294088770e+00 2.16 3.688885526e-01 4.420703127e+00 6.961734749e+00 2.18 1.146494575e-01 3.596456510e+00 5.805456626e+00 2.20 -9.929822222e-02 2.884575226e+00 4.802457523e+00 2.22 -2.785710311e-01 2.270448141e+00 3.932992073e+00 2.24 -4.280325861e-01 1.741303866e+00 3.179804184e+00 2.26 -5.518836328e-01 1.286037836e+00 2.527867248e+00 2.28 -6.537308483e-01 8.950179147e-01 1.964116567e+00 2.30 -7.366685052e-01 5.598839290e-01 1.477187647e+00 2.32 -8.033519574e-01 2.733819224e-01 1.057196909e+00 2.34 -8.560461500e-01 2.922190663e-02 6.955730101e-01 2.36 -8.967033172e-01 -1.780955917e-01 3.848551087e-01 2.38 -9.270275800e-01 -3.534286719e-01 1.185273954e-01 2.40 -9.484767588e-01 -5.010211226e-01 -1.090862082e-01 2.42 -9.622889086e-01 -6.245736521e-01 -3.029244316e-01 2.44 -9.695369309e-01 -7.273107771e-01 -4.672780097e-01 2.46 -9.711580450e-01 -8.120382890e-01 -6.058664296e-01 2.48 -9.679877017e-01 -8.811926232e-01 -7.219038412e-01 2.50 -9.607914690e-01 -9.368832660e-01 -8.181563990e-01 2.52 -9.502399454e-01 -9.809291633e-01 -8.970681544e-01 2.54 -9.369186151e-01 -1.014889961e+00 -9.608891412e-01 2.56 -9.213384803e-01 -1.040092904e+00 -1.011607363e+00 2.58 -9.039451610e-01 -1.057685965e+00 -1.050968527e+00 2.60 -8.851241000e-01 -1.068701825e+00 -1.080499961e+00 2.62 -8.652054643e-01 -1.074023886e+00 -1.101532306e+00 2.64 -8.444750940e-01 -1.074411090e+00 -1.115231898e+00 2.66 -8.231799362e-01 -1.070571015e+00 -1.122620893e+00 2.68 -8.015321045e-01 -1.063141727e+00 -1.124593582e+00 2.70 -7.797123040e-01 -1.052680441e+00 -1.121930612e+00 2.72 -7.578727050e-01 -1.039659456e+00 -1.115321460e+00 2.74 -7.361393388e-01 -1.024478481e+00 -1.105385902e+00 2.76 -7.146139673e-01 -1.007486521e+00 -1.092669270e+00 2.78 -6.933705556e-01 -9.889885123e-01 -1.077648843e+00 2.80 -6.724554392e-01 -9.692505557e-01 -1.060740908e+00 2.82 -6.518963661e-01 -9.485044308e-01 -1.042306860e+00 2.84 -6.317106063e-01 -9.269514855e-01 -1.022658454e+00 2.86 -6.119122506e-01 -9.047659777e-01 -1.002062322e+00 2.88 -5.925018022e-01 -8.821022675e-01 -9.807438389e-01 2.90 -5.734693272e-01 -8.591068467e-01 -9.588904206e-01 2.92 -5.548201429e-01 -8.359119204e-01 -9.366543276e-01 2.94 -5.365608125e-01 -8.126352313e-01 -9.141550301e-01 2.96 -5.186933685e-01 -7.893817147e-01 -8.914820306e-01 2.98 -5.012228290e-01 -7.662449047e-01 -8.687260952e-01 3.00 -4.841599813e-01 -7.433081199e-01 -8.459862147e-01 3.02 -4.675137851e-01 -7.206454571e-01 -8.233378766e-01 3.04 -4.512921034e-01 -6.983226148e-01 -8.008454215e-01 3.06 -4.355018840e-01 -6.763975669e-01 -7.785643842e-01 3.08 -4.201491913e-01 -6.549211058e-01 -7.565424807e-01 3.10 -4.052391962e-01 -6.339372686e-01 -7.348204362e-01 3.12 -3.907761282e-01 -6.134836615e-01 -7.134326732e-01 3.14 -3.767631942e-01 -5.935916942e-01 -6.924078768e-01 3.16 -3.632024693e-01 -5.742866855e-01 -6.717694502e-01 3.18 -3.500947609e-01 -5.555847149e-01 -6.515358741e-01 3.20 -3.374394524e-01 -5.374912372e-01 -6.317209811e-01 3.22 -3.252343250e-01 -5.200065060e-01 -6.123341539e-01 3.24 -3.134753648e-01 -5.031259635e-01 -5.933804577e-01 3.26 -3.021565528e-01 -4.868400559e-01 -5.748607129e-01 3.28 -2.912696429e-01 -4.711340102e-01 -5.567715154e-01 3.30 -2.808039277e-01 -4.559875778e-01 -5.391052111e-01 3.32 -2.707480648e-01 -4.413775180e-01 -5.218539694e-01 3.34 -2.610966378e-01 -4.272864031e-01 -5.050233081e-01 3.36 -2.518447828e-01 -4.136954410e-01 -4.886217331e-01 3.38 -2.429860923e-01 -4.005816707e-01 -4.726569173e-01 3.40 -2.345124380e-01 -3.879177160e-01 -4.571357039e-01 3.42 -2.264137875e-01 -3.756715213e-01 -4.420640861e-01 3.44 -2.186780171e-01 -3.638060747e-01 -4.274471679e-01 3.46 -2.112907205e-01 -3.522812162e-01 -4.132891062e-01 3.48 -2.042350135e-01 -3.410771166e-01 -3.995930377e-01 3.50 -1.974913361e-01 -3.301891697e-01 -3.863609920e-01 3.52 -1.910372522e-01 -3.196132784e-01 -3.735937920e-01 3.54 -1.848479868e-01 -3.093455716e-01 -3.612909433e-01 3.56 -1.789067056e-01 -2.993823793e-01 -3.494505139e-01 3.58 -1.732033699e-01 -2.897202019e-01 -3.380690057e-01 3.60 -1.677273079e-01 -2.803556741e-01 -3.271412178e-01 3.62 -1.624669484e-01 -2.712855236e-01 -3.166601031e-01 3.64 -1.574097469e-01 -2.625065262e-01 -3.066166193e-01 3.66 -1.525421106e-01 -2.540154571e-01 -2.969991791e-01 3.68 -1.478506340e-01 -2.458090380e-01 -2.877919865e-01 3.70 -1.433272013e-01 -2.378838828e-01 -2.789764682e-01 3.72 -1.389653186e-01 -2.302364397e-01 -2.705317689e-01 3.74 -1.347584273e-01 -2.228629309e-01 -2.624345671e-01 3.76 -1.306998838e-01 -2.157592917e-01 -2.546588866e-01 3.78 -1.267829399e-01 -2.089211063e-01 -2.471759053e-01 3.80 -1.230007224e-01 -2.023435428e-01 -2.399537622e-01 3.82 -1.193462610e-01 -1.960212873e-01 -2.329579262e-01 3.84 -1.158137231e-01 -1.899484763e-01 -2.261656542e-01 3.86 -1.123986890e-01 -1.841186277e-01 -2.195692493e-01 3.88 -1.090969580e-01 -1.785245725e-01 -2.131621601e-01 3.90 -1.059044805e-01 -1.731583838e-01 -2.069382245e-01 3.92 -1.028173529e-01 -1.680113067e-01 -2.008916551e-01 3.94 -9.983181323e-02 -1.630736870e-01 -1.950170243e-01 3.96 -9.694423683e-02 -1.583348993e-01 -1.893092484e-01 3.98 -9.415113159e-02 -1.537832751e-01 -1.837635705e-01 4.00 -9.144913363e-02 -1.494060305e-01 -1.783755438e-01 4.02 -8.883500297e-02 -1.451891934e-01 -1.731410134e-01 4.04 -8.630561923e-02 -1.411175306e-01 -1.680560981e-01 4.06 -8.385797747e-02 -1.371761979e-01 -1.631171720e-01 4.08 -8.148918413e-02 -1.333582582e-01 -1.583208451e-01 4.10 -7.919645303e-02 -1.296595817e-01 -1.536639446e-01 4.12 -7.697710151e-02 -1.260761766e-01 -1.491434951e-01 4.14 -7.482854668e-02 -1.226041843e-01 -1.447566989e-01 4.16 -7.274830174e-02 -1.192398756e-01 -1.405009164e-01 4.18 -7.073397245e-02 -1.159796469e-01 -1.363736463e-01 4.20 -6.878325371e-02 -1.128200172e-01 -1.323725050e-01 4.22 -6.689378619e-02 -1.097576238e-01 -1.284952074e-01 4.24 -6.506213058e-02 -1.067892189e-01 -1.247395460e-01 4.26 -6.328448353e-02 -1.039116665e-01 -1.211033710e-01 4.28 -6.155731625e-02 -1.011219381e-01 -1.175845705e-01 4.30 -5.987736956e-02 -9.841711006e-02 -1.141810498e-01 4.32 -5.824164382e-02 -9.579435956e-02 -1.108907114e-01 4.34 -5.664738902e-02 -9.325096175e-02 -1.077114353e-01 4.36 -5.509209475e-02 -9.078428631e-02 -1.046410582e-01 4.38 -5.357348044e-02 -8.839179433e-02 -1.016773541e-01 4.40 -5.208948544e-02 -8.607103525e-02 -9.881801383e-02 4.42 -5.063825935e-02 -8.381964380e-02 -9.606062534e-02 4.44 -4.921815224e-02 -8.163533715e-02 -9.340265376e-02 4.46 -4.782770507e-02 -7.951591199e-02 -9.084142154e-02 4.48 -4.646564005e-02 -7.745896507e-02 -8.837408870e-02 4.50 -4.513085107e-02 -7.546111132e-02 -8.599763311e-02 4.52 -4.382239425e-02 -7.351891070e-02 -8.370883083e-02 4.54 -4.253947848e-02 -7.162915407e-02 -8.150423657e-02 4.56 -4.128145596e-02 -6.978885537e-02 -7.938016416e-02 4.58 -4.004781289e-02 -6.799524375e-02 -7.733266713e-02 4.60 -3.883816016e-02 -6.624575587e-02 -7.535751934e-02 4.62 -3.765214111e-02 -6.453802811e-02 -7.345019564e-02 4.64 -3.648863307e-02 -6.286988894e-02 -7.160585272e-02 4.66 -3.534617806e-02 -6.123935126e-02 -6.981930987e-02 4.68 -3.422354356e-02 -5.964460483e-02 -6.808523144e-02 4.70 -3.311971693e-02 -5.808400872e-02 -6.640043724e-02 4.72 -3.203389168e-02 -5.655608379e-02 -6.476334580e-02 4.74 -3.096545372e-02 -5.505950527e-02 -6.317245704e-02 4.76 -2.991396758e-02 -5.359309529e-02 -6.162632168e-02 4.78 -2.887916269e-02 -5.215581557e-02 -6.012353942e-02 4.80 -2.786091963e-02 -5.074676000e-02 -5.866275728e-02 4.82 -2.685925640e-02 -4.936514742e-02 -5.724266791e-02 4.84 -2.587431469e-02 -4.801031430e-02 -5.586200797e-02 4.86 -2.490634618e-02 -4.668170755e-02 -5.451955664e-02 4.88 -2.395569880e-02 -4.537887731e-02 -5.321413407e-02 4.90 -2.302280301e-02 -4.410146981e-02 -5.194459995e-02 4.92 -2.210815816e-02 -4.284922024e-02 -5.070985214e-02 4.94 -2.121231870e-02 -4.162194565e-02 -4.950882532e-02 4.96 -2.033588058e-02 -4.041953790e-02 -4.834048968e-02 4.98 -1.947946748e-02 -3.924195666e-02 -4.720384967e-02 5.00 -1.864371720e-02 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