# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2004--Zhou-X-W-Johnson-R-A-Wadley-H-N-G--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr # implementation = 2004--Zhou-X-W--Cu-Ag-Au-Ni-Pd-Pt-Al-Pb-Fe-Mo-Ta-W-Mg-Co-Ti-Zr--LAMMPS--ipr1 # composition = MgTa3 # 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 2024-04-11 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 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 5.359577774e+02 nan nan 1.16 4.940625579e+02 nan nan 1.18 4.555459600e+02 nan nan 1.20 4.201147166e+02 nan nan 1.22 3.875066903e+02 nan nan 1.24 3.574835357e+02 nan nan 1.26 3.298252819e+02 nan nan 1.28 3.043287312e+02 4.659340048e+02 5.312196815e+02 1.30 2.808083120e+02 4.324477471e+02 4.939311072e+02 1.32 2.590968194e+02 4.014303070e+02 4.593524912e+02 1.34 2.390444892e+02 3.726866636e+02 4.272673672e+02 1.36 2.205165692e+02 3.460391671e+02 3.974804318e+02 1.38 2.033904594e+02 3.213253987e+02 3.698149401e+02 1.40 1.875533841e+02 2.983966082e+02 3.441090814e+02 1.42 1.729010806e+02 2.771163769e+02 3.202127346e+02 1.44 1.593375408e+02 2.573589427e+02 2.979855953e+02 1.46 1.467753624e+02 2.390072287e+02 2.772970171e+02 1.48 1.351359432e+02 2.219512218e+02 2.580270375e+02 1.50 1.243489414e+02 2.060873614e+02 2.400673684e+02 1.52 1.143510466e+02 1.913190630e+02 2.233212783e+02 1.54 1.050845640e+02 1.775578661e+02 2.077022268e+02 1.56 9.649627015e+01 1.647244077e+02 1.931319711e+02 1.58 8.853666239e+01 1.527486117e+02 1.795389272e+02 1.60 8.115948740e+01 1.415689627e+02 1.668570696e+02 1.62 7.432140177e+01 1.311311700e+02 1.550252011e+02 1.64 6.798172106e+01 1.213866944e+02 1.439862973e+02 1.66 6.210229804e+01 1.122914773e+02 1.336867944e+02 1.68 5.664758831e+01 1.038049977e+02 1.240759064e+02 1.70 5.158487709e+01 9.588960204e+01 1.151051772e+02 1.72 4.688453039e+01 8.850999843e+01 1.067284397e+02 1.74 4.252008320e+01 8.163284201e+01 9.890216936e+01 1.76 3.847015413e+01 7.522639780e+01 9.158602698e+01 1.78 3.472637578e+01 6.926030932e+01 8.474329473e+01 1.80 3.127047191e+01 6.370549260e+01 7.834100098e+01 1.82 2.808326152e+01 5.853414392e+01 7.234970348e+01 1.84 2.514663639e+01 5.371981206e+01 6.674304639e+01 1.86 2.244351380e+01 4.923748019e+01 6.149723410e+01 1.88 1.995759046e+01 4.506360498e+01 5.659052332e+01 1.90 1.767334457e+01 4.117610223e+01 5.200278032e+01 1.92 1.557608467e+01 3.755710968e+01 4.771511737e+01 1.94 1.365199378e+01 3.419691762e+01 4.370962067e+01 1.96 1.188813050e+01 3.107979204e+01 3.996917256e+01 1.98 1.027236770e+01 2.818779208e+01 3.648306103e+01 2.00 8.793275253e+00 2.550392667e+01 3.324300885e+01 2.02 7.439981767e+00 2.301251607e+01 3.023301664e+01 2.04 6.202066590e+00 2.069911404e+01 2.743794197e+01 2.06 5.069527195e+00 1.855056389e+01 2.484348451e+01 2.08 4.032835782e+00 1.655501666e+01 2.243639380e+01 2.10 3.083064241e+00 1.470186785e+01 2.020430504e+01 2.12 2.212028771e+00 1.298162385e+01 1.813555711e+01 2.14 1.412403047e+00 1.138573246e+01 1.621903134e+01 2.16 6.777665394e-01 9.906413201e+00 1.444400620e+01 2.18 2.579396547e-03 8.536507837e+00 1.280006454e+01 2.20 -6.179021521e-01 7.269357960e+00 1.127708283e+01 2.22 -1.187748976e+00 6.098703204e+00 9.865315242e+00 2.24 -1.710494504e+00 5.018595416e+00 8.555552071e+00 2.26 -2.189262992e+00 4.023323907e+00 7.339309130e+00 2.28 -2.626878029e+00 3.107351610e+00 6.208987293e+00 2.30 -3.025945327e+00 2.265268333e+00 5.157955774e+00 2.32 -3.388911238e+00 1.491766832e+00 4.180534779e+00 2.34 -3.718099145e+00 7.816528637e-01 3.271891382e+00 2.36 -4.015729098e+00 1.298881494e-01 2.427880831e+00 2.38 -4.283924067e+00 -4.683390441e-01 1.644872626e+00 2.40 -4.524708547e+00 -1.017533361e+00 9.195947606e-01 2.42 -4.740004388e+00 -1.521822730e+00 2.490130534e-01 2.44 -4.931401855e+00 -1.984915481e+00 -3.697486953e-01 2.46 -5.100620746e+00 -2.410093382e+00 -9.394536988e-01 2.48 -5.249521582e+00 -2.800236664e+00 -1.462772250e+00 2.50 -5.379807411e+00 -3.157871688e+00 -1.942288136e+00 2.52 -5.493027640e+00 -3.485228942e+00 -2.380497756e+00 2.54 -5.590581445e+00 -3.784300717e+00 -2.779810802e+00 2.56 -5.673721509e+00 -4.056891546e+00 -3.142553412e+00 2.58 -5.743558920e+00 -4.304658273e+00 -3.470976049e+00 2.60 -5.800983881e+00 -4.529139551e+00 -3.767265294e+00 2.62 -5.846279551e+00 -4.731773249e+00 -4.033557436e+00 2.64 -5.879553315e+00 -4.913761359e+00 -4.271951573e+00 2.66 -5.900946435e+00 -5.076402996e+00 -4.484516748e+00 2.68 -5.910630594e+00 -5.220987451e+00 -4.673292659e+00 2.70 -5.908808079e+00 -5.348827828e+00 -4.840279733e+00 2.72 -5.895713836e+00 -5.461152742e+00 -4.987371683e+00 2.74 -5.871617052e+00 -5.559091676e+00 -5.116161871e+00 2.76 -5.836820180e+00 -5.643680251e+00 -5.228612026e+00 2.78 -5.791654104e+00 -5.715865736e+00 -5.326592465e+00 2.80 -5.736469754e+00 -5.776505755e+00 -5.411763276e+00 2.82 -5.671626483e+00 -5.826183395e+00 -5.485570523e+00 2.84 -5.597480650e+00 -5.865252872e+00 -5.549255262e+00 2.86 -5.514375825e+00 -5.894006354e+00 -5.603872298e+00 2.88 -5.422637299e+00 -5.912664978e+00 -5.650312181e+00 2.90 -5.322572530e+00 -5.921484747e+00 -5.689097782e+00 2.92 -5.214478370e+00 -5.920759255e+00 -5.720324933e+00 2.94 -5.098657207e+00 -5.910812519e+00 -5.744115947e+00 2.96 -4.975437264e+00 -5.891991168e+00 -5.760650449e+00 2.98 -4.845201931e+00 -5.864655982e+00 -5.770152681e+00 3.00 -4.708420892e+00 -5.829173204e+00 -5.772877529e+00 3.02 -4.565681507e+00 -5.785906250e+00 -5.769101223e+00 3.04 -4.417715469e+00 -5.735208486e+00 -5.759111403e+00 3.06 -4.265415447e+00 -5.677418782e+00 -5.743198525e+00 3.08 -4.109836644e+00 -5.612858094e+00 -5.721648180e+00 3.10 -3.952179436e+00 -5.541830935e+00 -5.694734310e+00 3.12 -3.793751744e+00 -5.464629093e+00 -5.662713371e+00 3.14 -3.635913185e+00 -5.381539756e+00 -5.625819498e+00 3.16 -3.480006659e+00 -5.292854415e+00 -5.584260782e+00 3.18 -3.327285878e+00 -5.198881856e+00 -5.538216785e+00 3.20 -3.178848626e+00 -5.099960764e+00 -5.487837424e+00 3.22 -3.035584663e+00 -4.996471699e+00 -5.433243595e+00 3.24 -2.898144477e+00 -4.888846326e+00 -5.374528857e+00 3.26 -2.766931206e+00 -4.777571907e+00 -5.311763053e+00 3.28 -2.642114127e+00 -4.663189334e+00 -5.244996779e+00 3.30 -2.523671386e+00 -4.546283644e+00 -5.174266564e+00 3.32 -2.411434501e+00 -4.427467033e+00 -5.099600165e+00 3.34 -2.304982996e+00 -4.307355710e+00 -5.021021411e+00 3.36 -2.203822105e+00 -4.186543116e+00 -4.938554099e+00 3.38 -2.107428254e+00 -4.065572801e+00 -4.852224600e+00 3.40 -2.015036961e+00 -3.944914333e+00 -4.762063048e+00 3.42 -1.925790616e+00 -3.824945239e+00 -4.668103183e+00 3.44 -1.839011946e+00 -3.705940216e+00 -4.570381173e+00 3.46 -1.754222956e+00 -3.588068849e+00 -4.468933915e+00 3.48 -1.671141149e+00 -3.471400704e+00 -4.363797438e+00 3.50 -1.589655056e+00 -3.355916683e+00 -4.255005778e+00 3.52 -1.509786805e+00 -3.241524924e+00 -4.142592786e+00 3.54 -1.431647952e+00 -3.128079503e+00 -4.026592716e+00 3.56 -1.355395625e+00 -3.015413128e+00 -3.907046462e+00 3.58 -1.281194852e+00 -2.903347070e+00 -3.784008539e+00 3.60 -1.209190887e+00 -2.791647079e+00 -3.657556843e+00 3.62 -1.139492903e+00 -2.680108231e+00 -3.527804496e+00 3.64 -1.072168341e+00 -2.568574399e+00 -3.394913160e+00 3.66 -1.007245752e+00 -2.456951770e+00 -3.259106950e+00 3.68 -9.447232851e-01 -2.345166225e+00 -3.120685822e+00 3.70 -8.845799843e-01 -2.233124472e+00 -2.980070603e+00 3.72 -8.267874265e-01 -2.120830599e+00 -2.837717934e+00 3.74 -7.713198616e-01 -2.008404168e+00 -2.694124100e+00 3.76 -7.181616521e-01 -1.896080496e+00 -2.549895792e+00 3.78 -6.673114082e-01 -1.784206178e+00 -2.405728161e+00 3.80 -6.187827320e-01 -1.673228807e+00 -2.262206979e+00 3.82 -5.726019024e-01 -1.563680351e+00 -2.119888719e+00 3.84 -5.288031576e-01 -1.456154403e+00 -1.979442303e+00 3.86 -4.874224366e-01 -1.351278351e+00 -1.841624741e+00 3.88 -4.484905285e-01 -1.249682364e+00 -1.707244787e+00 3.90 -4.120265388e-01 -1.151967662e+00 -1.577120829e+00 3.92 -3.780323341e-01 -1.058676703e+00 -1.452036818e+00 3.94 -3.464891186e-01 -9.702686672e-01 -1.332701303e+00 3.96 -3.173547876e-01 -8.871001701e-01 -1.219711784e+00 3.98 -2.905642771e-01 -8.094152124e-01 -1.113529826e+00 4.00 -2.660310244e-01 -7.373423186e-01 -1.014466632e+00 4.02 -2.436497112e-01 -6.708990731e-01 -9.226799583e-01 4.04 -2.232991220e-01 -6.100025105e-01 -8.381809995e-01 4.06 -2.048490297e-01 -5.544836083e-01 -7.608491567e-01 4.08 -1.881625407e-01 -5.041040629e-01 -6.904521177e-01 4.10 -1.730996520e-01 -4.585733122e-01 -6.266687009e-01 4.12 -1.595209096e-01 -4.175668647e-01 -5.691122152e-01 4.14 -1.472903769e-01 -3.807388134e-01 -5.173525906e-01 4.16 -1.362779156e-01 -3.477365205e-01 -4.709360891e-01 4.18 -1.263608222e-01 -3.182105756e-01 -4.294019328e-01 4.20 -1.174248901e-01 -2.918228198e-01 -3.922956175e-01 4.22 -1.093649881e-01 -2.682521391e-01 -3.591790025e-01 4.24 -1.020852436e-01 -2.471983131e-01 -3.296374749e-01 4.26 -9.549892496e-02 -2.283842496e-01 -3.032846039e-01 4.28 -8.952810055e-02 -2.115569346e-01 -2.797647371e-01 4.30 -8.410314600e-02 -1.964874083e-01 -2.587539840e-01 4.32 -7.916215634e-02 -1.829700324e-01 -2.399599892e-01 4.34 -7.465030978e-02 -1.708212770e-01 -2.231208395e-01 4.36 -7.051902247e-02 -1.598782122e-01 -2.080033875e-01 4.38 -6.672609366e-02 -1.499968050e-01 -1.944012137e-01 4.40 -6.323384959e-02 -1.410501981e-01 -1.821323948e-01 4.42 -6.000943877e-02 -1.329269965e-01 -1.710372036e-01 4.44 -5.702406523e-02 -1.255294687e-01 -1.609758230e-01 4.46 -5.425250174e-02 -1.187713938e-01 -1.518261192e-01 4.48 -5.167265037e-02 -1.125788589e-01 -1.434815750e-01 4.50 -4.926515078e-02 -1.068873584e-01 -1.358493511e-01 4.52 -4.701288728e-02 -1.016404155e-01 -1.288477293e-01 4.54 -4.490128733e-02 -9.678866736e-02 -1.224064459e-01 4.56 -4.291709254e-02 -9.228901049e-02 -1.164639740e-01 4.58 -4.104879608e-02 -8.810382005e-02 -1.109667558e-01 4.60 -3.928625703e-02 -8.420024873e-02 -1.058676514e-01 4.62 -3.762052045e-02 -8.054960535e-02 -1.011251622e-01 4.64 -3.604366112e-02 -7.712680553e-02 -9.670274435e-02 4.66 -3.454864791e-02 -7.390989142e-02 -9.256820860e-02 4.68 -3.312922639e-02 -7.087961319e-02 -8.869319543e-02 4.70 -3.177981718e-02 -6.801906553e-02 -8.505271508e-02 4.72 -3.049542805e-02 -6.531337267e-02 -8.162474243e-02 4.74 -2.927157790e-02 -6.274941584e-02 -7.838985940e-02 4.76 -2.810423098e-02 -6.031559661e-02 -7.533093595e-02 4.78 -2.698974011e-02 -5.800163417e-02 -7.243284787e-02 4.80 -2.592476626e-02 -5.579818390e-02 -6.968222776e-02 4.82 -2.490624140e-02 -5.369754665e-02 -6.706724384e-02 4.84 -2.393143323e-02 -5.169218531e-02 -6.457740503e-02 4.86 -2.299783601e-02 -4.977555794e-02 -6.220338965e-02 4.88 -2.210314047e-02 -4.794174665e-02 -5.993689547e-02 4.90 -2.124521001e-02 -4.618542906e-02 -5.777050880e-02 4.92 -2.042205990e-02 -4.450178429e-02 -5.569759057e-02 4.94 -1.963183907e-02 -4.288642069e-02 -5.371217740e-02 4.96 -1.887281406e-02 -4.133532185e-02 -5.180889545e-02 4.98 -1.814335492e-02 -3.984480111e-02 -4.998288712e-02 5.00 -1.744192266e-02 -3.841146122e-02 -4.822974680e-02 5.02 -1.676705825e-02 -3.703215964e-02 -4.654546466e-02 5.04 -1.611737271e-02 -3.570397907e-02 -4.492637873e-02 5.06 -1.549153842e-02 -3.442420234e-02 -4.336913332e-02 5.08 -1.488828135e-02 -3.319029120e-02 -4.187064312e-02 5.10 -1.430637415e-02 -3.199986885e-02 -4.042806208e-02 5.12 -1.374463014e-02 -3.085070570e-02 -3.903875638e-02 5.14 -1.320189812e-02 -2.974070848e-02 -3.770028102e-02 5.16 -1.267705795e-02 -2.866791226e-02 -3.641035941e-02 5.18 -1.216901702e-02 -2.763047548e-02 -3.516686559e-02 5.20 -1.167670771e-02 -2.662667781e-02 -3.396780873e-02 5.22 -1.119908582e-02 -2.565492055e-02 -3.281131956e-02 5.24 -1.073513031e-02 -2.471372946e-02 -3.169563845e-02 5.26 -1.028384424e-02 -2.380175954e-02 -3.061910496e-02 5.28 -9.844257513e-03 -2.291780109e-02 -2.958014859e-02 5.30 -9.415431233e-03 -2.206078637e-02 -2.857728064e-02 5.32 -8.996464226e-03 -2.122979563e-02 -2.760908696e-02 5.34 -8.586501762e-03 -2.042406103e-02 -2.667422120e-02 5.36 -8.184746707e-03 -1.964293853e-02 -2.577135664e-02 5.38 -7.790473153e-03 -1.888595073e-02 -2.489924559e-02 5.40 -7.403042437e-03 -1.815278072e-02 -2.405672707e-02 5.42 -7.021921257e-03 -1.744323306e-02 -2.324268645e-02 5.44 -6.646701275e-03 -1.675721002e-02 -2.245605187e-02 5.46 -6.277119282e-03 -1.609468129e-02 -2.169579087e-02 5.48 -5.913076589e-03 -1.545564872e-02 -2.096090730e-02 5.50 -5.554655916e-03 -1.484010847e-02 -2.025043852e-02 5.52 -5.202133729e-03 -1.424801353e-02 -1.956345267e-02 5.54 -4.855985773e-03 -1.367923977e-02 -1.889894098e-02 5.56 -4.516883590e-03 -1.313355843e-02 -1.825625275e-02 5.58 -4.185680170e-03 -1.261061714e-02 -1.763440985e-02 5.60 -3.863383609e-03 -1.210993068e-02 -1.703258047e-02 5.62 -3.551118688e-03 -1.163088143e-02 -1.644995237e-02 5.64 -3.250077663e-03 -1.117272842e-02 -1.588573097e-02 5.66 -2.961462938e-03 -1.073462332e-02 -1.533913758e-02 5.68 -2.686425577e-03 -1.031563091e-02 -1.480940774e-02 5.70 -2.426004483e-03 -9.914751853e-03 -1.429578967e-02 5.72 -2.181071302e-03 -9.530945677e-03 -1.379754289e-02 5.74 -1.952285671e-03 -9.163152250e-03 -1.331393694e-02 5.76 -1.740064350e-03 -8.810310667e-03 -1.284425041e-02 5.78 -1.544566161e-03 -8.471374924e-03 -1.238777011e-02 5.80 -1.365692903e-03 -8.145326187e-03 -1.194379064e-02 5.82 -1.203104802e-03 -7.831181846e-03 -1.151161422e-02 5.84 -1.056247708e-03 -7.528001735e-03 -1.109055107e-02 5.86 -9.243885416e-04 -7.234892064e-03 -1.067992025e-02 5.88 -8.066552368e-04 -6.951007633e-03 -1.027905116e-02 5.90 -7.020777077e-04 -6.675552913e-03 -9.887285792e-03 5.92 -6.096269502e-04 -6.407782517e-03 -9.503981836e-03 5.94 -5.282501664e-04 -6.147001530e-03 -9.128516737e-03 5.96 -4.569006037e-04 -5.892566078e-03 -8.760292867e-03 5.98 -3.945615230e-04 -5.643884443e-03 -8.398743852e-03 6.00 -3.402643009e-04 -5.400418934e-03 -8.043342127e-03