# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2024--Starikov-S-Grigorev-P-Olsson-P-A-T--W-Mo-Nb # implementation = 2024--Starikov-S--W-Mo-Nb--LAMMPS--ipr1 # composition = Mo3W # 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 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 4.181943747e+02 nan nan 0.98 3.955131556e+02 nan nan 1.00 3.751515919e+02 nan nan 1.02 3.566982324e+02 nan nan 1.04 3.395631548e+02 nan nan 1.06 3.237629600e+02 4.040866731e+02 nan 1.08 3.081749711e+02 3.819997656e+02 4.230639469e+02 1.10 2.933253699e+02 3.625831614e+02 4.038041741e+02 1.12 2.794130539e+02 3.450210435e+02 3.840192382e+02 1.14 2.668971926e+02 3.294383346e+02 3.639728365e+02 1.16 2.561443838e+02 3.151990182e+02 3.449854966e+02 1.18 2.467371205e+02 3.016746762e+02 3.277356367e+02 1.20 2.380963997e+02 2.889572847e+02 3.127337503e+02 1.22 2.301535099e+02 2.775149054e+02 2.999911552e+02 1.24 2.229374871e+02 2.671977476e+02 2.885185018e+02 1.26 2.161527189e+02 2.576508945e+02 2.776182444e+02 1.28 2.099409745e+02 2.488956816e+02 2.673242325e+02 1.30 2.043042058e+02 2.410058216e+02 2.580251007e+02 1.32 1.990098552e+02 2.339174250e+02 2.495127580e+02 1.34 1.939022534e+02 2.274046878e+02 2.416839071e+02 1.36 1.891104397e+02 2.211572770e+02 2.342597672e+02 1.38 1.846520178e+02 2.153482133e+02 2.271953624e+02 1.40 1.806030402e+02 2.100226613e+02 2.207225519e+02 1.42 1.768182794e+02 2.049138097e+02 2.147358372e+02 1.44 1.732330538e+02 1.999422776e+02 2.090471256e+02 1.46 1.698995987e+02 1.951553714e+02 2.036351307e+02 1.48 1.666970783e+02 1.906401309e+02 1.986204843e+02 1.50 1.638267314e+02 1.864461995e+02 1.939155590e+02 1.52 1.611589457e+02 1.825061182e+02 1.894908690e+02 1.54 1.585740378e+02 1.787940637e+02 1.853850335e+02 1.56 1.560932718e+02 1.753728946e+02 1.815257374e+02 1.58 1.537783853e+02 1.721519215e+02 1.779825878e+02 1.60 1.515355070e+02 1.691367647e+02 1.747664040e+02 1.62 1.493528953e+02 1.662271723e+02 1.717712483e+02 1.64 1.472576097e+02 1.634853532e+02 1.689075007e+02 1.66 1.452754952e+02 1.609143906e+02 1.661698036e+02 1.68 1.434609995e+02 1.583234245e+02 1.635448348e+02 1.70 1.418300341e+02 1.557640717e+02 1.610378685e+02 1.72 1.400255023e+02 1.532189088e+02 1.587077150e+02 1.74 1.379221962e+02 1.507449628e+02 1.565378791e+02 1.76 1.356895653e+02 1.484162613e+02 1.544751121e+02 1.78 1.333718591e+02 1.462824919e+02 1.525447527e+02 1.80 1.310489978e+02 1.443718330e+02 1.507965665e+02 1.82 1.288237537e+02 1.425961331e+02 1.490547753e+02 1.84 1.269292936e+02 1.410853183e+02 1.474776528e+02 1.86 1.253784489e+02 1.396883779e+02 1.459012425e+02 1.88 1.241259676e+02 1.383594867e+02 1.444005228e+02 1.90 1.230769073e+02 1.370804478e+02 1.430436183e+02 1.92 1.221449753e+02 1.356699964e+02 1.415549224e+02 1.94 1.212804621e+02 1.339942375e+02 1.397033986e+02 1.96 1.204373347e+02 1.321888768e+02 1.376415287e+02 1.98 1.196040255e+02 1.303322353e+02 1.354525219e+02 2.00 1.188102438e+02 1.285155676e+02 1.332511013e+02 2.02 1.180810054e+02 1.268123660e+02 1.311510036e+02 2.04 1.173848045e+02 1.252547426e+02 1.292420922e+02 2.06 1.167177349e+02 1.238571632e+02 1.275939203e+02 2.08 1.161013925e+02 1.226123621e+02 1.261733458e+02 2.10 1.155383947e+02 1.215185869e+02 1.249230007e+02 2.12 7.803573776e+01 1.205629903e+02 1.238106644e+02 2.14 4.084750544e+01 1.197031576e+02 1.228239722e+02 2.16 1.912265034e+01 1.189047108e+02 1.219447678e+02 2.18 7.934261575e+00 1.181633151e+02 1.211144801e+02 2.20 2.072628253e+00 1.052998361e+02 1.202786690e+02 2.22 -1.515997764e+00 9.628889283e+01 1.194471452e+02 2.24 -3.506484393e+00 9.091858453e+01 1.186510025e+02 2.26 -4.535406593e+00 8.842347677e+01 1.178997977e+02 2.28 -5.168415168e+00 8.732282241e+01 1.171768941e+02 2.30 -5.585295910e+00 6.429481421e+01 1.156748884e+02 2.32 -5.855454484e+00 4.414401447e+01 1.124832564e+02 2.34 -6.090806238e+00 2.793420435e+01 6.797012004e+01 2.36 -6.295027914e+00 1.421961081e+01 4.214527762e+01 2.38 -6.458025671e+00 4.930038339e+00 2.503029372e+01 2.40 -6.587676444e+00 -2.182006036e-01 1.379337340e+01 2.42 -6.701276486e+00 -2.909896199e+00 6.593659005e+00 2.44 -6.798577551e+00 -4.341070329e+00 2.133166785e+00 2.46 -6.875927200e+00 -5.067258331e+00 -5.706019234e-01 2.48 -6.923999820e+00 -5.481536614e+00 -2.197370076e+00 2.50 -6.942115475e+00 -5.771634734e+00 -3.165281286e+00 2.52 -6.948661260e+00 -6.028694294e+00 -3.751086543e+00 2.54 -6.961186772e+00 -6.258469336e+00 -4.139251406e+00 2.56 -6.968057462e+00 -6.467250179e+00 -4.437309647e+00 2.58 -6.966824107e+00 -6.669926579e+00 -4.712194516e+00 2.60 -6.940200651e+00 -6.856860626e+00 -5.017143612e+00 2.62 -6.889065297e+00 -7.015443827e+00 -5.329913441e+00 2.64 -6.817563200e+00 -7.130590467e+00 -5.628167856e+00 2.66 -6.748709949e+00 -7.204109916e+00 -5.904179093e+00 2.68 -6.687751823e+00 -7.252437334e+00 -6.168837129e+00 2.70 -6.624967209e+00 -7.289164012e+00 -6.410377894e+00 2.72 -6.553763318e+00 -7.313073185e+00 -6.557135007e+00 2.74 -6.463352142e+00 -7.322982526e+00 -6.626651774e+00 2.76 -6.362516952e+00 -7.313267378e+00 -6.684566535e+00 2.78 -6.266320007e+00 -7.290689602e+00 -6.742555986e+00 2.80 -6.163198978e+00 -7.257736587e+00 -6.790119705e+00 2.82 -6.056394126e+00 -7.209683982e+00 -6.820533276e+00 2.84 -5.950954014e+00 -7.146101251e+00 -6.866244695e+00 2.86 -5.846371005e+00 -7.065402949e+00 -6.911011512e+00 2.88 -5.740212892e+00 -6.967959010e+00 -6.940626994e+00 2.90 -5.633140032e+00 -6.865282353e+00 -6.954124437e+00 2.92 -5.526914541e+00 -6.767964948e+00 -6.951210194e+00 2.94 -5.422668469e+00 -6.667174981e+00 -6.922679984e+00 2.96 -5.320867769e+00 -6.555917540e+00 -6.871891683e+00 2.98 -5.223882361e+00 -6.437299142e+00 -6.810085548e+00 3.00 -5.135904538e+00 -6.319354552e+00 -6.743343498e+00 3.02 -5.045731423e+00 -6.207751580e+00 -6.663403223e+00 3.04 -4.964874459e+00 -6.105995016e+00 -6.564816554e+00 3.06 -4.890677439e+00 -6.009408248e+00 -6.459701712e+00 3.08 -4.821010835e+00 -5.912992423e+00 -6.361220561e+00 3.10 -4.751024905e+00 -5.818181024e+00 -6.285132200e+00 3.12 -4.663935354e+00 -5.701778886e+00 -6.213161388e+00 3.14 -4.553198343e+00 -5.561385616e+00 -6.123218231e+00 3.16 -4.426585272e+00 -5.429305758e+00 -6.020565268e+00 3.18 -4.304625306e+00 -5.319984047e+00 -5.911234522e+00 3.20 -4.202924088e+00 -5.180252048e+00 -5.801489209e+00 3.22 -4.117697517e+00 -5.061249812e+00 -5.699184101e+00 3.24 -4.036711193e+00 -4.999053786e+00 -5.609328502e+00 3.26 -3.953572228e+00 -4.955884850e+00 -5.534481275e+00 3.28 -3.889772984e+00 -4.891909337e+00 -5.474874488e+00 3.30 -3.786740110e+00 -4.797315282e+00 -5.422027570e+00 3.32 -3.711340084e+00 -4.674228728e+00 -5.375166653e+00 3.34 -3.619897005e+00 -4.523931775e+00 -5.334854831e+00 3.36 -3.496191975e+00 -4.359275376e+00 -5.297737393e+00 3.38 -3.335597779e+00 -4.167735721e+00 -5.258601003e+00 3.40 -3.128726805e+00 -4.011769412e+00 -5.212385471e+00 3.42 -2.880695196e+00 -3.852836498e+00 -5.148718119e+00 3.44 -2.605514507e+00 -3.720822357e+00 -5.064119659e+00 3.46 -2.314356605e+00 -3.613589069e+00 -4.959926651e+00 3.48 -2.023234357e+00 -3.528514829e+00 -4.832121876e+00 3.50 -1.755589901e+00 -3.460159664e+00 -4.674989247e+00 3.52 -1.533587519e+00 -3.402310193e+00 -4.489069712e+00 3.54 -1.359871406e+00 -3.344528020e+00 -4.308185160e+00 3.56 -1.226665338e+00 -3.289202946e+00 -4.170824952e+00 3.58 -1.125059939e+00 -3.246644860e+00 -4.102016998e+00 3.60 -1.047198113e+00 -3.212705082e+00 -4.068958228e+00 3.62 -9.869688745e-01 -3.182435427e+00 -4.039851460e+00 3.64 -9.381918522e-01 -3.150081839e+00 -4.015913877e+00 3.66 -8.982606107e-01 -3.112130165e+00 -3.998325541e+00 3.68 -8.658954469e-01 -3.063254113e+00 -3.983978121e+00 3.70 -8.394876867e-01 -2.999115052e+00 -3.966055769e+00 3.72 -8.174189401e-01 -2.912912775e+00 -3.939271969e+00 3.74 -7.980850347e-01 -2.804920786e+00 -3.903599653e+00 3.76 -7.799819556e-01 -2.684130056e+00 -3.848890201e+00 3.78 -7.628089886e-01 -2.558958954e+00 -3.703369804e+00 3.80 -7.472572158e-01 -2.437589496e+00 -3.501515843e+00 3.82 -7.352113465e-01 -2.299138678e+00 -3.250061642e+00 3.84 -7.289774898e-01 -2.138268100e+00 -2.963486639e+00 3.86 -7.309101486e-01 -1.963870164e+00 -2.658104611e+00 3.88 -7.428143480e-01 -1.785428084e+00 -2.350622135e+00 3.90 -7.644881891e-01 -1.614054839e+00 -2.058169601e+00 3.92 -7.950027162e-01 -1.461337561e+00 -1.798271157e+00 3.94 -8.329574913e-01 -1.335511609e+00 -1.583051698e+00 3.96 -8.759602399e-01 -1.235210567e+00 -1.409897727e+00 3.98 -9.213415202e-01 -1.157225698e+00 -1.273376005e+00 4.00 -9.656259632e-01 -1.097963392e+00 -1.167850467e+00 4.02 -1.007158883e+00 -1.053082115e+00 -1.087318798e+00 4.04 -1.045440553e+00 -1.018089969e+00 -1.025160726e+00 4.06 -1.079983274e+00 -9.884991546e-01 -9.748722018e-01 4.08 -1.110579008e+00 -9.617231093e-01 -9.328548166e-01 4.10 -1.138106378e+00 -9.374094131e-01 -8.988324815e-01 4.12 -1.164593479e+00 -9.159973185e-01 -8.726431130e-01 4.14 -1.190336620e+00 -8.987791092e-01 -8.528960697e-01 4.16 -1.214490575e+00 -8.871176950e-01 -8.376638296e-01 4.18 -1.235782533e+00 -8.823993947e-01 -8.250555669e-01 4.20 -1.252999833e+00 -8.860182666e-01 -8.131600121e-01 4.22 -1.265173752e+00 -8.991663697e-01 -8.004585035e-01 4.24 -1.272663957e+00 -9.212141927e-01 -7.869974632e-01 4.26 -1.277569136e+00 -9.502408259e-01 -7.731913992e-01 4.28 -1.282484507e+00 -9.842501409e-01 -7.597816165e-01 4.30 -1.289596663e+00 -1.021219857e+00 -7.481018354e-01 4.32 -1.300588090e+00 -1.059121425e+00 -7.422022852e-01 4.34 -1.316645300e+00 -1.096017701e+00 -7.470817630e-01 4.36 -1.338719222e+00 -1.130999164e+00 -7.662961835e-01 4.38 -1.365014146e+00 -1.163686130e+00 -8.029782643e-01 4.40 -1.392053131e+00 -1.193710293e+00 -8.513589185e-01 4.42 -1.416248220e+00 -1.220706889e+00 -8.981081890e-01 4.44 -1.434812407e+00 -1.244313890e+00 -9.410332877e-01 4.46 -1.445316441e+00 -1.264048260e+00 -9.781009327e-01 4.48 -1.445795716e+00 -1.279552877e+00 -1.008263186e+00 4.50 -1.436999770e+00 -1.291539975e+00 -1.032276620e+00 4.52 -1.421071118e+00 -1.300863151e+00 -1.051094846e+00 4.54 -1.400317776e+00 -1.308370550e+00 -1.065655680e+00 4.56 -1.377277382e+00 -1.314902834e+00 -1.076885469e+00 4.58 -1.354510286e+00 -1.320886569e+00 -1.085712986e+00 4.60 -1.334526994e+00 -1.326040654e+00 -1.093059055e+00 4.62 -1.319280719e+00 -1.329642396e+00 -1.099334092e+00 4.64 -1.309931986e+00 -1.330515290e+00 -1.104277318e+00 4.66 -1.305301021e+00 -1.327458492e+00 -1.107296701e+00 4.68 -1.303397395e+00 -1.319316515e+00 -1.107695868e+00 4.70 -1.302224289e+00 -1.305805805e+00 -1.104962956e+00 4.72 -1.299644679e+00 -1.287557158e+00 -1.099194020e+00 4.74 -1.292634547e+00 -1.265377663e+00 -1.091385278e+00 4.76 -1.279452960e+00 -1.240926079e+00 -1.083281554e+00 4.78 -1.260513960e+00 -1.216382853e+00 -1.076813117e+00 4.80 -1.236391374e+00 -1.194041293e+00 -1.073636261e+00 4.82 -1.207664422e+00 -1.176088983e+00 -1.075284349e+00 4.84 -1.175105643e+00 -1.164420486e+00 -1.083314332e+00 4.86 -1.140450328e+00 -1.160789100e+00 -1.099400059e+00 4.88 -1.103536548e+00 -1.166106333e+00 -1.124300869e+00 4.90 -1.063250464e+00 -1.179218286e+00 -1.155958899e+00 4.92 -1.018409187e+00 -1.198201594e+00 -1.191674337e+00 4.94 -9.677700681e-01 -1.219987093e+00 -1.228574757e+00 4.96 -9.100842191e-01 -1.241660302e+00 -1.263662290e+00 4.98 -8.468896254e-01 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