# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2013--Bonny-G-Terentyev-D-Bakaev-A-et-al--Fe-Cu-Ni-Mn # implementation = 2013--Bonny-G--Fe-Cu-Ni-Mn--LAMMPS--ipr1 # composition = CuMn3 # 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 2024-01-04 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 9.877500779e+02 nan nan 0.90 9.091354273e+02 nan nan 0.92 8.375238135e+02 nan nan 0.94 7.722249559e+02 nan nan 0.96 7.125689790e+02 nan nan 0.98 6.579284090e+02 9.136739416e+02 1.015171692e+03 1.00 6.077166979e+02 8.479974233e+02 9.416802863e+02 1.02 5.613699877e+02 7.876643777e+02 8.741850140e+02 1.04 5.184275081e+02 7.319920868e+02 8.121231282e+02 1.06 4.784839576e+02 6.804280099e+02 7.549431292e+02 1.08 4.412107175e+02 6.326272416e+02 7.021250091e+02 1.10 4.063446354e+02 5.882494795e+02 6.532724505e+02 1.12 3.736682030e+02 5.469341791e+02 6.079968400e+02 1.14 3.430186401e+02 5.083583642e+02 5.659058953e+02 1.16 3.143514418e+02 4.722758745e+02 5.266043358e+02 1.18 2.876456229e+02 4.384648495e+02 4.897835829e+02 1.20 2.628498646e+02 4.067027477e+02 4.553019321e+02 1.22 2.398387973e+02 3.767874747e+02 4.230355447e+02 1.24 2.184542404e+02 3.485668522e+02 3.928622062e+02 1.26 1.985478693e+02 3.219589155e+02 3.646310690e+02 1.28 1.800228143e+02 2.969016218e+02 3.381769874e+02 1.30 1.628190365e+02 2.733389456e+02 3.133516936e+02 1.32 1.468916446e+02 2.512022342e+02 2.900247115e+02 1.34 1.321800463e+02 2.304098354e+02 2.680924387e+02 1.36 1.186028724e+02 2.108878727e+02 2.474781054e+02 1.38 1.060842664e+02 1.925922753e+02 2.281181855e+02 1.40 9.456461266e+01 1.755102844e+02 2.099363162e+02 1.42 8.399773113e+01 1.596314208e+02 1.928376266e+02 1.44 7.434941863e+01 1.449157620e+02 1.767367882e+02 1.46 6.557846908e+01 1.312957630e+02 1.615727104e+02 1.48 5.764042159e+01 1.186840726e+02 1.473216015e+02 1.50 5.048344045e+01 1.069968722e+02 1.339658030e+02 1.52 4.405543834e+01 9.617094083e+01 1.214823947e+02 1.54 3.830471615e+01 8.615367910e+01 1.098372180e+02 1.56 3.318080606e+01 7.691295492e+01 9.899059179e+01 1.58 2.862823823e+01 6.842167516e+01 8.891703380e+01 1.60 2.458578234e+01 6.064591904e+01 7.960019627e+01 1.62 2.099145857e+01 5.354562948e+01 7.102298126e+01 1.64 1.778262785e+01 4.708360815e+01 6.316388084e+01 1.66 1.490862459e+01 4.122114205e+01 5.598398149e+01 1.68 1.234247539e+01 3.592101195e+01 4.943522083e+01 1.70 1.005971095e+01 3.114901637e+01 4.346556963e+01 1.72 8.037005226e+00 2.686831328e+01 3.802382565e+01 1.74 6.256406727e+00 2.303644075e+01 3.307281190e+01 1.76 4.701774634e+00 1.961766418e+01 2.858577871e+01 1.78 3.352702512e+00 1.658431885e+01 2.453874769e+01 1.80 2.188390247e+00 1.390716161e+01 2.091321829e+01 1.82 1.192722655e+00 1.155836507e+01 1.769134454e+01 1.84 3.513955423e-01 9.512436945e+00 1.484872233e+01 1.86 -3.516693990e-01 7.742025716e+00 1.235570908e+01 1.88 -9.296258439e-01 6.219492246e+00 1.018227032e+01 1.90 -1.395073104e+00 4.918536748e+00 8.296338419e+00 1.92 -1.760354953e+00 3.812243452e+00 6.661045485e+00 1.94 -2.034908589e+00 2.870505829e+00 5.244400016e+00 1.96 -2.228735871e+00 2.064400457e+00 4.017961392e+00 1.98 -2.358447984e+00 1.365447492e+00 2.953361524e+00 2.00 -2.441832959e+00 7.454770295e-01 2.022603911e+00 2.02 -2.496461090e+00 1.837825974e-01 1.203913898e+00 2.04 -2.538785295e+00 -3.245101411e-01 4.900788262e-01 2.06 -2.582412239e+00 -7.807156630e-01 -1.232196611e-01 2.08 -2.631401928e+00 -1.185471760e+00 -6.409063860e-01 2.10 -2.683376111e+00 -1.539495588e+00 -1.068086744e+00 2.12 -2.734888276e+00 -1.845521484e+00 -1.412992295e+00 2.14 -2.782485317e+00 -2.106552828e+00 -1.688404699e+00 2.16 -2.823602682e+00 -2.324756915e+00 -1.907481802e+00 2.18 -2.858174149e+00 -2.502255879e+00 -2.083287834e+00 2.20 -2.886242825e+00 -2.640895980e+00 -2.227832252e+00 2.22 -2.907787434e+00 -2.742651409e+00 -2.351339752e+00 2.24 -2.922769653e+00 -2.810794402e+00 -2.458332841e+00 2.26 -2.931115968e+00 -2.852047573e+00 -2.551535404e+00 2.28 -2.932726548e+00 -2.873999584e+00 -2.632979745e+00 2.30 -2.927480505e+00 -2.884289126e+00 -2.704419148e+00 2.32 -2.915240346e+00 -2.890040436e+00 -2.767100424e+00 2.34 -2.895863796e+00 -2.896000269e+00 -2.821086065e+00 2.36 -2.869391045e+00 -2.904402662e+00 -2.866929069e+00 2.38 -2.836559796e+00 -2.914193338e+00 -2.905224167e+00 2.40 -2.798522350e+00 -2.923942151e+00 -2.936577353e+00 2.42 -2.756441593e+00 -2.932192382e+00 -2.961599567e+00 2.44 -2.711435925e+00 -2.937461042e+00 -2.980922739e+00 2.46 -2.664611532e+00 -2.938288338e+00 -2.995061930e+00 2.48 -2.617146095e+00 -2.934204041e+00 -3.004203184e+00 2.50 -2.570274291e+00 -2.925676296e+00 -3.008488011e+00 2.52 -2.525003953e+00 -2.913324464e+00 -3.007933030e+00 2.54 -2.481234564e+00 -2.897686192e+00 -3.002132170e+00 2.56 -2.438559956e+00 -2.879229833e+00 -2.990551008e+00 2.58 -2.396558342e+00 -2.858328835e+00 -2.972792027e+00 2.60 -2.354788160e+00 -2.835279691e+00 -2.949504932e+00 2.62 -2.312789130e+00 -2.810377801e+00 -2.921767954e+00 2.64 -2.270082418e+00 -2.783905505e+00 -2.890672227e+00 2.66 -2.226052238e+00 -2.756105765e+00 -2.857344641e+00 2.68 -2.180274300e+00 -2.727014589e+00 -2.822941671e+00 2.70 -2.132907611e+00 -2.696375362e+00 -2.788624483e+00 2.72 -2.084162531e+00 -2.663951968e+00 -2.755048649e+00 2.74 -2.034249091e+00 -2.629534975e+00 -2.721727641e+00 2.76 -1.983379458e+00 -2.592923741e+00 -2.688049184e+00 2.78 -1.931772136e+00 -2.553915297e+00 -2.653439168e+00 2.80 -1.879657566e+00 -2.512296677e+00 -2.617354618e+00 2.82 -1.827240942e+00 -2.467841777e+00 -2.579274171e+00 2.84 -1.774265799e+00 -2.420464642e+00 -2.538708848e+00 2.86 -1.720182287e+00 -2.370386759e+00 -2.495524729e+00 2.88 -1.664451668e+00 -2.317861252e+00 -2.449872634e+00 2.90 -1.606590169e+00 -2.263238916e+00 -2.402066952e+00 2.92 -1.546205862e+00 -2.207074776e+00 -2.352728803e+00 2.94 -1.482986279e+00 -2.149943896e+00 -2.302502474e+00 2.96 -1.416719406e+00 -2.092404943e+00 -2.251994620e+00 2.98 -1.347447995e+00 -2.034921045e+00 -2.201651189e+00 3.00 -1.276166550e+00 -1.977835694e+00 -2.151850493e+00 3.02 -1.204098501e+00 -1.921275000e+00 -2.102961802e+00 3.04 -1.132464560e+00 -1.865339497e+00 -2.055348489e+00 3.06 -1.062482193e+00 -1.810140152e+00 -2.009371460e+00 3.08 -9.953410452e-01 -1.755735487e+00 -1.965299261e+00 3.10 -9.320878294e-01 -1.701828887e+00 -1.922859451e+00 3.12 -8.736993622e-01 -1.648002762e+00 -1.881589042e+00 3.14 -8.205567371e-01 -1.593849835e+00 -1.841033550e+00 3.16 -7.721733910e-01 -1.539075534e+00 -1.800748642e+00 3.18 -7.279787712e-01 -1.483785549e+00 -1.760300947e+00 3.20 -6.873845780e-01 -1.428177735e+00 -1.719268342e+00 3.22 -6.497917842e-01 -1.372452429e+00 -1.677239667e+00 3.24 -6.145968071e-01 -1.316812667e+00 -1.633814095e+00 3.26 -5.811829223e-01 -1.261471344e+00 -1.588612161e+00 3.28 -5.490191624e-01 -1.206841871e+00 -1.541563185e+00 3.30 -5.179915960e-01 -1.153567996e+00 -1.492952205e+00 3.32 -4.881931154e-01 -1.102224382e+00 -1.443094449e+00 3.34 -4.597102797e-01 -1.052959717e+00 -1.392309470e+00 3.36 -4.326215342e-01 -1.005778315e+00 -1.340919633e+00 3.38 -4.069982533e-01 -9.606682566e-01 -1.289248644e+00 3.40 -3.829055606e-01 -9.175574723e-01 -1.237620138e+00 3.42 -3.604005693e-01 -8.763375097e-01 -1.186356384e+00 3.44 -3.395399791e-01 -8.368889619e-01 -1.135776970e+00 3.46 -3.203552386e-01 -7.990101781e-01 -1.086090599e+00 3.48 -3.027945826e-01 -7.623156763e-01 -1.037205004e+00 3.50 -2.867467433e-01 -7.265610773e-01 -9.889718332e-01 3.52 -2.720099629e-01 -6.915801926e-01 -9.412366085e-01 3.54 -2.583712884e-01 -6.572026138e-01 -8.938378723e-01 3.56 -2.456177638e-01 -6.232533201e-01 -8.466062222e-01 3.58 -2.335371783e-01 -5.895528832e-01 -7.993634256e-01 3.60 -2.219342231e-01 -5.559219230e-01 -7.519277766e-01 3.62 -2.106654337e-01 -5.221821649e-01 -7.041144042e-01 3.64 -1.996084080e-01 -4.881879957e-01 -6.557818012e-01 3.66 -1.887614688e-01 -4.541170069e-01 -6.072527464e-01 3.68 -1.781808814e-01 -4.203325226e-01 -5.590839529e-01 3.70 -1.679267238e-01 -3.871998972e-01 -5.118241704e-01 3.72 -1.580550259e-01 -3.550808674e-01 -4.660137130e-01 3.74 -1.486213793e-01 -3.243334978e-01 -4.221859637e-01 3.76 -1.396851772e-01 -2.953122624e-01 -3.808685574e-01 3.78 -1.313193866e-01 -2.683685859e-01 -3.425841533e-01 3.80 -1.236374842e-01 -2.438452818e-01 -3.078503435e-01 3.82 -1.167686280e-01 -2.220852071e-01 -2.771706412e-01 3.84 -1.107579723e-01 -2.032041911e-01 -2.507162658e-01 3.86 -1.055282359e-01 -1.870095170e-01 -2.282027764e-01 3.88 -1.009219218e-01 -1.732847306e-01 -2.093024060e-01 3.90 -9.688463452e-02 -1.617813912e-01 -1.936725463e-01 3.92 -9.337763443e-02 -1.522101242e-01 -1.809034340e-01 3.94 -9.034150340e-02 -1.443020420e-01 -1.705455589e-01 3.96 -8.770232078e-02 -1.377641028e-01 -1.621435081e-01 3.98 -8.537636620e-02 -1.322888750e-01 -1.552384569e-01 4.00 -8.327809723e-02 -1.275607599e-01 -1.493673595e-01 4.02 -8.137919981e-02 -1.233239582e-01 -1.441309703e-01 4.04 -7.959672416e-02 -1.194821223e-01 -1.394070652e-01 4.06 -7.784521823e-02 -1.159553074e-01 -1.351436235e-01 4.08 -7.605923659e-02 -1.126736819e-01 -1.312888352e-01 4.10 -7.418963393e-02 -1.095739833e-01 -1.277885728e-01 4.12 -7.220042944e-02 -1.066001453e-01 -1.245897066e-01 4.14 -7.006616525e-02 -1.037022145e-01 -1.216403884e-01 4.16 -6.776969296e-02 -1.008346747e-01 -1.188890132e-01 4.18 -6.530033346e-02 -9.795548576e-02 -1.162838424e-01 4.20 -6.265236466e-02 -9.501838647e-02 -1.137678785e-01 4.22 -5.982380017e-02 -9.199424275e-02 -1.112967666e-01 4.24 -5.679837521e-02 -8.891323002e-02 -1.088632299e-01 4.26 -5.360076810e-02 -8.580976964e-02 -1.064686648e-01 4.28 -5.028374096e-02 -8.271491156e-02 -1.041144061e-01 4.30 -4.689134348e-02 -7.965700785e-02 -1.018015819e-01 4.32 -4.346066204e-02 -7.663483397e-02 -9.949012267e-02 4.34 -4.002338895e-02 -7.366592597e-02 -9.717112073e-02 4.36 -3.660722820e-02 -7.079133847e-02 -9.487434203e-02 4.38 -3.323713933e-02 -6.804528817e-02 -9.262350776e-02 4.40 -2.993640322e-02 -6.545503612e-02 -9.043720263e-02 4.42 -2.672747479e-02 -6.304068168e-02 -8.832966483e-02 4.44 -2.363257048e-02 -6.081506855e-02 -8.631147209e-02 4.46 -2.067392862e-02 -5.878397371e-02 -8.439013634e-02 4.48 -1.787368530e-02 -5.696005526e-02 -8.259069087e-02 4.50 -1.525333484e-02 -5.534861197e-02 -8.093336892e-02 4.52 -1.283279517e-02 -5.389306187e-02 -7.935038601e-02 4.54 -1.062917106e-02 -5.254121645e-02 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-2.185832692e-02 -3.278811538e-02 4.92 1.249795174e-06 -1.989401968e-02 -2.984165453e-02 4.94 1.250000000e-06 -1.797902358e-02 -2.696916037e-02 4.96 1.250000000e-06 -1.612393378e-02 -2.418652567e-02 4.98 1.250000000e-06 -1.433935724e-02 -2.150966086e-02 5.00 1.250000000e-06 -1.263588597e-02 -1.895445395e-02 5.02 1.250000000e-06 -1.102392842e-02 -1.653651763e-02 5.04 1.250000000e-06 -9.513400683e-03 -1.427072603e-02 5.06 1.250000000e-06 -8.113297386e-03 -1.217057108e-02 5.08 1.250000000e-06 -6.831184324e-03 -1.024740149e-02 5.10 1.250000000e-06 -5.672674872e-03 -8.509637309e-03 5.12 1.250000000e-06 -4.640964842e-03 -6.962072263e-03 5.14 1.250000000e-06 -3.736500152e-03 -5.605375228e-03 5.16 1.250000000e-06 -2.956836321e-03 -4.435879482e-03 5.18 1.250000000e-06 -2.296720605e-03 -3.445705907e-03 5.20 1.250000000e-06 -1.748392805e-03 -2.623214208e-03 5.22 1.250000000e-06 -1.302067651e-03 -1.953726477e-03 5.24 1.250000000e-06 -9.465373548e-04 -1.420431032e-03 5.26 1.250000000e-06 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