# 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 = MgNi3 # 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 2.036018186e+02 nan nan 1.16 1.860016513e+02 nan nan 1.18 1.699237552e+02 nan nan 1.20 1.552311941e+02 nan nan 1.22 1.417997904e+02 nan nan 1.24 1.295145604e+02 nan nan 1.26 1.182704936e+02 nan nan 1.28 1.079746158e+02 1.739114798e+02 2.016004287e+02 1.30 9.854506893e+01 1.600286965e+02 1.859212257e+02 1.32 8.990786179e+01 1.472440366e+02 1.714534233e+02 1.34 8.199455650e+01 1.354598155e+02 1.581009977e+02 1.36 7.474215846e+01 1.245904499e+02 1.457766517e+02 1.38 6.809391442e+01 1.145624674e+02 1.343996242e+02 1.40 6.199927003e+01 1.053116360e+02 1.238949135e+02 1.42 5.641262959e+01 9.677988949e+01 1.141930693e+02 1.44 5.129181087e+01 8.891332341e+01 1.052299918e+02 1.46 4.659712049e+01 8.166103467e+01 9.694672835e+01 1.48 4.229128274e+01 7.497452108e+01 8.928905573e+01 1.50 3.834045713e+01 6.880767849e+01 8.220690657e+01 1.52 3.471484342e+01 6.311742894e+01 7.565425934e+01 1.54 3.138834542e+01 5.786453259e+01 6.958959882e+01 1.56 2.833774158e+01 5.301381419e+01 6.397614626e+01 1.58 2.554168337e+01 4.853360759e+01 5.878127696e+01 1.60 2.297995951e+01 4.439502431e+01 5.397546379e+01 1.62 2.063318748e+01 4.057156246e+01 4.953132878e+01 1.64 1.848285895e+01 3.703946847e+01 4.542296966e+01 1.66 1.651158189e+01 3.377743591e+01 4.162533295e+01 1.68 1.470342084e+01 3.076608931e+01 3.811420755e+01 1.70 1.304419709e+01 2.798736598e+01 3.486624157e+01 1.72 1.152157061e+01 2.542399230e+01 3.185943025e+01 1.74 1.012484009e+01 2.305922128e+01 2.907391781e+01 1.76 8.844578312e+00 2.087690324e+01 2.649246356e+01 1.78 7.672282391e+00 1.886183212e+01 2.410024874e+01 1.80 6.600134215e+00 1.700016685e+01 2.188423571e+01 1.82 5.620862096e+00 1.527970851e+01 1.983250539e+01 1.84 4.727665231e+00 1.368989908e+01 1.793385713e+01 1.86 3.914151184e+00 1.222155805e+01 1.617769126e+01 1.88 3.174268257e+00 1.086647454e+01 1.455405338e+01 1.90 2.502232993e+00 9.617023570e+00 1.305368784e+01 1.92 1.892477296e+00 8.465915243e+00 1.166801103e+01 1.94 1.339643221e+00 7.406104367e+00 1.038900979e+01 1.96 8.386246124e-01 6.430823058e+00 9.209104074e+00 1.98 3.846376589e-01 5.533675831e+00 8.121033294e+00 2.00 -2.670684443e-02 4.708729545e+00 7.117818088e+00 2.02 -3.993497471e-01 3.950554144e+00 6.192825433e+00 2.04 -7.367609153e-01 3.254209660e+00 5.339910743e+00 2.06 -1.041952910e+00 2.615201086e+00 4.553549050e+00 2.08 -1.317532390e+00 2.029426239e+00 3.828870791e+00 2.10 -1.565774608e+00 1.493131240e+00 3.161579689e+00 2.12 -1.788702739e+00 1.002874534e+00 2.547807942e+00 2.14 -1.988156033e+00 5.554930394e-01 1.983976218e+00 2.16 -2.165841456e+00 1.480641202e-01 1.466695201e+00 2.18 -2.323368145e+00 -2.221416713e-01 9.927092743e-01 2.20 -2.462265835e+00 -5.577120308e-01 5.588676344e-01 2.22 -2.584009567e+00 -8.611410424e-01 1.621201751e-01 2.24 -2.690016622e+00 -1.134861311e+00 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-3.139764004e+00 -3.065459987e+00 2.62 -2.867099060e+00 -3.153939297e+00 -3.099204465e+00 2.64 -2.825759368e+00 -3.160583206e+00 -3.125715064e+00 2.66 -2.782336310e+00 -3.160092467e+00 -3.145601698e+00 2.68 -2.737069656e+00 -3.152918000e+00 -3.159388073e+00 2.70 -2.690196236e+00 -3.139570662e+00 -3.167501843e+00 2.72 -2.641948573e+00 -3.120622352e+00 -3.170287933e+00 2.74 -2.592552437e+00 -3.096697033e+00 -3.168033437e+00 2.76 -2.542223683e+00 -3.068448905e+00 -3.160993595e+00 2.78 -2.491164630e+00 -3.036529514e+00 -3.149412361e+00 2.80 -2.439573586e+00 -3.001551442e+00 -3.133535420e+00 2.82 -2.387622842e+00 -2.964056043e+00 -3.113615662e+00 2.84 -2.335433960e+00 -2.924495477e+00 -3.089913505e+00 2.86 -2.283115456e+00 -2.883229502e+00 -3.062693589e+00 2.88 -2.230764970e+00 -2.840535321e+00 -3.032219944e+00 2.90 -2.178472008e+00 -2.796624675e+00 -2.998751105e+00 2.92 -2.126320616e+00 -2.751662509e+00 -2.962536180e+00 2.94 -2.074391995e+00 -2.705783231e+00 -2.923812319e+00 2.96 -2.022741270e+00 -2.659102855e+00 -2.882803311e+00 2.98 -1.971404826e+00 -2.611726966e+00 -2.839721464e+00 3.00 -1.920427020e+00 -2.563755380e+00 -2.794766634e+00 3.02 -1.869858231e+00 -2.515284613e+00 -2.748130745e+00 3.04 -1.819751585e+00 -2.466408906e+00 -2.700001113e+00 3.06 -1.770159980e+00 -2.417236467e+00 -2.650565205e+00 3.08 -1.721133658e+00 -2.367859452e+00 -2.600015884e+00 3.10 -1.672718479e+00 -2.318350084e+00 -2.548556290e+00 3.12 -1.624954891e+00 -2.268784803e+00 -2.496403157e+00 3.14 -1.577877511e+00 -2.219244315e+00 -2.443802698e+00 3.16 -1.531515141e+00 -2.169811132e+00 -2.390993672e+00 3.18 -1.485891028e+00 -2.120569257e+00 -2.338201880e+00 3.20 -1.441023201e+00 -2.071602384e+00 -2.285648639e+00 3.22 -1.396924764e+00 -2.022984894e+00 -2.233538116e+00 3.24 -1.353604065e+00 -1.974763052e+00 -2.182045698e+00 3.26 -1.311064732e+00 -1.926980043e+00 -2.131310696e+00 3.28 -1.269305573e+00 -1.879681038e+00 -2.081433637e+00 3.30 -1.228320377e+00 -1.832910874e+00 -2.032474190e+00 3.32 -1.188097682e+00 -1.786711901e+00 -1.984437927e+00 3.34 -1.148620590e+00 -1.741121969e+00 -1.937302568e+00 3.36 -1.109866724e+00 -1.696172709e+00 -1.891035103e+00 3.38 -1.071808448e+00 -1.651888290e+00 -1.845596697e+00 3.40 -1.034413453e+00 -1.608284726e+00 -1.800946436e+00 3.42 -9.976455192e-01 -1.565370016e+00 -1.757043832e+00 3.44 -9.614673606e-01 -1.523144345e+00 -1.713850330e+00 3.46 -9.258408468e-01 -1.481601122e+00 -1.671330186e+00 3.48 -8.907312643e-01 -1.440727967e+00 -1.629451029e+00 3.50 -8.561103593e-01 -1.400507841e+00 -1.588184095e+00 3.52 -8.219602307e-01 -1.360920181e+00 -1.547506019e+00 3.54 -7.882774282e-01 -1.321942004e+00 -1.507397618e+00 3.56 -7.550768121e-01 -1.283548926e+00 -1.467845968e+00 3.58 -7.223945342e-01 -1.245716095e+00 -1.428844615e+00 3.60 -6.902893415e-01 -1.208419011e+00 -1.390393850e+00 3.62 -6.588413990e-01 -1.171634248e+00 -1.352500526e+00 3.64 -6.281480725e-01 -1.135340135e+00 -1.315177327e+00 3.66 -5.983166275e-01 -1.099517477e+00 -1.278441521e+00 3.68 -5.694545094e-01 -1.064150412e+00 -1.242313319e+00 3.70 -5.416585582e-01 -1.029227519e+00 -1.206814056e+00 3.72 -5.150049214e-01 -9.947432369e-01 -1.171964440e+00 3.74 -4.895413904e-01 -9.606995856e-01 -1.137783085e+00 3.76 -4.652833794e-01 -9.271080742e-01 -1.104285448e+00 3.78 -4.422139744e-01 -8.939915458e-01 -1.071483203e+00 3.80 -4.202876735e-01 -8.613855883e-01 -1.039383989e+00 3.82 -3.994368503e-01 -8.293390642e-01 -1.007991441e+00 3.84 -3.795797266e-01 -7.979133162e-01 -9.773053740e-01 3.86 -3.606286888e-01 -7.671797460e-01 -9.473220447e-01 3.88 -3.424980247e-01 -7.372157167e-01 -9.180344128e-01 3.90 -3.251104449e-01 -7.080990775e-01 -8.894323726e-01 3.92 -3.084019145e-01 -6.799018488e-01 -8.615027976e-01 3.94 -2.923251460e-01 -6.526845507e-01 -8.342302586e-01 3.96 -2.768502098e-01 -6.264904621e-01 -8.075961908e-01 3.98 -2.619642851e-01 -6.013427321e-01 -7.815796012e-01 4.00 -2.476691249e-01 -5.772429571e-01 -7.561569223e-01 4.02 -2.339771922e-01 -5.541718948e-01 -7.313020249e-01 4.04 -2.209068414e-01 -5.320918055e-01 -7.069862269e-01 4.06 -2.084771723e-01 -5.109498480e-01 -6.831783120e-01 4.08 -1.967032398e-01 -4.906819301e-01 -6.598445750e-01 4.10 -1.855922217e-01 -4.712162163e-01 -6.369489164e-01 4.12 -1.751409566e-01 -4.524777490e-01 -6.144530095e-01 4.14 -1.653349993e-01 -4.343893477e-01 -5.923165750e-01 4.16 -1.561490800e-01 -4.168752061e-01 -5.704977967e-01 4.18 -1.475486618e-01 -3.998622344e-01 -5.489539223e-01 4.20 -1.394922015e-01 -3.832813738e-01 -5.276420951e-01 4.22 -1.319336926e-01 -3.670686657e-01 -5.065204581e-01 4.24 -1.248251811e-01 -3.511662199e-01 -4.855495708e-01 4.26 -1.181190728e-01 -3.355231961e-01 -4.646941598e-01 4.28 -1.117692878e-01 -3.200968742e-01 -4.439251972e-01 4.30 -1.057338414e-01 -3.048538397e-01 -4.232222597e-01 4.32 -9.997726920e-02 -2.897712537e-01 -4.025760651e-01 4.34 -9.446900103e-02 -2.748381184e-01 -3.819910122e-01 4.36 -8.918400470e-02 -2.600563872e-01 -3.614874783e-01 4.38 -8.410376150e-02 -2.454417227e-01 -3.411035620e-01 4.40 -7.921530816e-02 -2.310236767e-01 -3.208959225e-01 4.42 -7.451155365e-02 -2.168450752e-01 -3.009393791e-01 4.44 -6.999045138e-02 -2.029604475e-01 -2.813250133e-01 4.46 -6.565408426e-02 -1.894334388e-01 -2.621566713e-01 4.48 -6.150753930e-02 -1.763332917e-01 -2.435459807e-01 4.50 -5.755765015e-02 -1.637306395e-01 -2.256062372e-01 4.52 -5.381156358e-02 -1.516929918e-01 -2.084453961e-01 4.54 -5.027614211e-02 -1.402803786e-01 -1.921609856e-01 4.56 -4.695598798e-02 -1.295416202e-01 -1.768322251e-01 4.58 -4.385337317e-02 -1.195116064e-01 -1.625174491e-01 4.60 -4.096763255e-02 -1.102098145e-01 -1.492513841e-01 4.62 -3.829505530e-02 -1.016401143e-01 -1.370447883e-01 4.64 -3.582905575e-02 -9.379173609e-02 -1.258858573e-01 4.66 -3.356056034e-02 -8.664112552e-02 -1.157430157e-01 4.68 -3.147853107e-02 -8.015437859e-02 -1.065686067e-01 4.70 -2.957054697e-02 -7.428995395e-02 -9.830299107e-02 4.72 -2.782337856e-02 -6.900130342e-02 -9.087858716e-02 4.74 -2.622350692e-02 -6.423832302e-02 -8.422357600e-02 4.76 -2.475755856e-02 -5.995182655e-02 -7.826506184e-02 4.78 -2.341264353e-02 -5.609406458e-02 -7.293125153e-02 4.80 -2.217659754e-02 -5.261894974e-02 -6.815301764e-02 4.82 -2.103813728e-02 -4.948390889e-02 -6.386756857e-02 4.84 -1.998691935e-02 -4.664911673e-02 -6.001697240e-02 4.86 -1.901351780e-02 -4.407871630e-02 -5.654849818e-02 4.88 -1.810959966e-02 -4.174061035e-02 -5.341483057e-02 4.90 -1.726775979e-02 -3.960634389e-02 -5.057398820e-02 4.92 -1.648144059e-02 -3.765088409e-02 -4.798905122e-02 4.94 -1.574485853e-02 -3.585232020e-02 -4.562777673e-02 4.96 -1.505292610e-02 -3.419156328e-02 -4.346215913e-02 4.98 -1.440117390e-02 -3.265210894e-02 -4.146797440e-02 5.00 -1.378567599e-02 -3.121967167e-02 -3.962433424e-02 5.02 -1.320298022e-02 -2.988190314e-02 -3.791326533e-02 5.04 -1.265004473e-02 -2.862813660e-02 -3.631932376e-02 5.06 -1.212418098e-02 -2.744915724e-02 -3.482924762e-02 5.08 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-1.790520802e-02 5.44 -5.108037849e-03 -1.289764539e-02 -1.729061599e-02 5.46 -4.823076848e-03 -1.238309772e-02 -1.669797324e-02 5.48 -4.542588756e-03 -1.188754220e-02 -1.612624537e-02 5.50 -4.266602033e-03 -1.141082419e-02 -1.557446674e-02 5.52 -3.995299384e-03 -1.095278005e-02 -1.504173145e-02 5.54 -3.729021092e-03 -1.051320719e-02 -1.452708052e-02 5.56 -3.468261581e-03 -1.009183971e-02 -1.402993217e-02 5.58 -3.213657772e-03 -9.688331183e-03 -1.354939334e-02 5.60 -2.965968329e-03 -9.302245217e-03 -1.308473012e-02 5.62 -2.726043732e-03 -8.933053923e-03 -1.263523868e-02 5.64 -2.494788151e-03 -8.580143282e-03 -1.220024142e-02 5.66 -2.273115148e-03 -8.242824027e-03 -1.177908361e-02 5.68 -2.061900242e-03 -7.920346247e-03 -1.137113041e-02 5.70 -1.861934034e-03 -7.611915916e-03 -1.097576423e-02 5.72 -1.673879755e-03 -7.316711705e-03 -1.059238253e-02 5.74 -1.498238792e-03 -7.033900799e-03 -1.022039583e-02 5.76 -1.335326886e-03 -6.762652827e-03 -9.859226059e-03 5.78 -1.185262474e-03 -6.502151399e-03 -9.508305309e-03 5.80 -1.047967313e-03 -6.251603130e-03 -9.167074816e-03 5.82 -9.231782603e-04 -6.010244240e-03 -8.834984398e-03 5.84 -8.104680846e-04 -5.777345046e-03 -8.511492280e-03 5.86 -7.092726045e-04 -5.552212739e-03 -8.196065403e-03 5.88 -6.189212897e-04 -5.334192881e-03 -7.888180279e-03 5.90 -5.386686516e-04 -5.122670063e-03 -7.587324453e-03 5.92 -4.677242065e-04 -4.917068126e-03 -7.292998674e-03 5.94 -4.052793918e-04 -4.716850290e-03 -7.004719842e-03 5.96 -3.505304322e-04 -4.521519495e-03 -6.722024816e-03 5.98 -3.026967039e-04 -4.330619164e-03 -6.444475142e-03 6.00 -2.610346024e-04 -4.143734574e-03 -6.171662738e-03