# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2025--Sharifi-H-Wick-C-D--Cr-Ni-Co-W # implementation = 2025--Sharifi-H--Cr-Ni-Co-W--LAMMPS--ipr1 # composition = CoW3 # 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 2025-07-01 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 3.180937854e+03 nan nan 0.92 2.919687745e+03 nan nan 0.94 2.677876613e+03 nan nan 0.96 2.454400621e+03 nan nan 0.98 2.248577477e+03 2.764527861e+03 nan 1.00 2.059526530e+03 2.552544996e+03 nan 1.02 1.886250046e+03 2.358471016e+03 2.407531995e+03 1.04 1.727691436e+03 2.178608231e+03 2.220592265e+03 1.06 1.581542636e+03 2.011216889e+03 2.046339400e+03 1.08 1.443283493e+03 1.855881762e+03 1.884514909e+03 1.10 1.313852970e+03 1.712069969e+03 1.734684699e+03 1.12 1.193989796e+03 1.578937090e+03 1.596301386e+03 1.14 1.083895351e+03 1.454362844e+03 1.468746843e+03 1.16 9.834046989e+02 1.338185670e+03 1.351364283e+03 1.18 8.921121339e+02 1.230416466e+03 1.243482156e+03 1.20 8.094622884e+02 1.130864458e+03 1.144431676e+03 1.22 7.348152717e+02 1.039202975e+03 1.053559401e+03 1.24 6.674925443e+02 9.550187333e+02 9.702360047e+02 1.26 6.068087754e+02 8.778483681e+02 8.938621183e+02 1.28 5.520946150e+02 8.072073586e+02 8.238752514e+02 1.30 5.022688803e+02 7.414279785e+02 7.580004617e+02 1.32 4.562299984e+02 6.786883196e+02 6.937566995e+02 1.34 4.138050937e+02 6.195321030e+02 6.321788651e+02 1.36 3.747859892e+02 5.642895041e+02 5.739843760e+02 1.38 3.389390640e+02 5.130975473e+02 5.195969140e+02 1.40 3.060261747e+02 4.659534098e+02 4.692212856e+02 1.42 2.758193265e+02 4.227556041e+02 4.229020057e+02 1.44 2.481097095e+02 3.833355612e+02 3.805688796e+02 1.46 2.227117595e+02 3.474816123e+02 3.420721868e+02 1.48 1.994631383e+02 3.149570257e+02 3.072096542e+02 1.50 1.782217532e+02 2.855133760e+02 2.757469102e+02 1.52 1.588610749e+02 2.589002784e+02 2.474328010e+02 1.54 1.412649720e+02 2.348723137e+02 2.220106861e+02 1.56 1.253230682e+02 2.131937871e+02 1.992265859e+02 1.58 1.109272905e+02 1.936418402e+02 1.788349005e+02 1.60 9.796986989e+01 1.760083177e+02 1.606022449e+02 1.62 8.634272586e+01 1.601007075e+02 1.443098599e+02 1.64 7.593793909e+01 1.457424017e+02 1.297549513e+02 1.66 6.664891610e+01 1.327724696e+02 1.167512273e+02 1.68 5.837186252e+01 1.210450933e+02 1.051288609e+02 1.70 5.100725618e+01 1.104287771e+02 9.473403905e+01 1.72 4.446111064e+01 1.008054156e+02 8.542822968e+01 1.74 3.864590384e+01 9.206928417e+01 7.708727029e+01 1.76 3.348116202e+01 8.412599750e+01 6.960034864e+01 1.78 2.889371605e+01 7.689147008e+01 6.286893592e+01 1.80 2.481768066e+01 7.029090317e+01 5.680571253e+01 1.82 2.119421603e+01 6.425781173e+01 5.133351113e+01 1.84 1.797114018e+01 5.873310724e+01 4.638431446e+01 1.86 1.510243156e+01 5.366424489e+01 4.189830509e+01 1.88 1.254754844e+01 4.900444564e+01 3.782297677e+01 1.90 1.027070101e+01 4.471199972e+01 3.411231647e+01 1.92 8.240300964e+00 4.074965546e+01 3.072605568e+01 1.94 6.428521138e+00 3.708409820e+01 2.762899085e+01 1.96 4.810880887e+00 3.368552164e+01 2.479037136e+01 1.98 3.365857821e+00 3.052727303e+01 2.218334996e+01 2.00 2.074543818e+00 2.758554352e+01 1.978449442e+01 2.02 9.203275523e-01 2.483918203e+01 1.757335364e+01 2.04 -1.113911963e-01 2.226959422e+01 1.553207339e+01 2.06 -1.033455029e+00 1.986067654e+01 1.364505841e+01 2.08 -1.857171824e+00 1.759876062e+01 1.189867859e+01 2.10 -2.592510599e+00 1.547253804e+01 1.028100706e+01 2.12 -3.248274444e+00 1.347291189e+01 8.781544293e+00 2.14 -3.832250092e+00 1.159279405e+01 7.390983973e+00 2.16 -4.351337786e+00 9.826870455e+00 6.101055440e+00 2.18 -4.811663940e+00 8.171298954e+00 4.904391740e+00 2.20 -5.218678807e+00 6.623350584e+00 3.794415048e+00 2.22 -5.577241047e+00 5.181020768e+00 2.765237520e+00 2.24 -5.891690911e+00 3.842644063e+00 1.811575538e+00 2.26 -6.165910938e+00 2.606546774e+00 9.286754596e-01 2.28 -6.403382153e+00 1.470753915e+00 1.122307503e-01 2.30 -6.607261122e+00 4.327346034e-01 -6.417619333e-01 2.32 -6.780428656e+00 -5.107175422e-01 -1.337076484e+00 2.34 -6.925518613e+00 -1.363483056e+00 -1.977272415e+00 2.36 -7.044948892e+00 -2.130046634e+00 -2.565707100e+00 2.38 -7.140950711e+00 -2.815379664e+00 -3.105547352e+00 2.40 -7.215573249e+00 -3.424796979e+00 -3.599783157e+00 2.42 -7.270698686e+00 -3.963806001e+00 -4.051238372e+00 2.44 -7.308056649e+00 -4.437962757e+00 -4.462575676e+00 2.46 -7.329238022e+00 -4.852746720e+00 -4.836305423e+00 2.48 -7.335707346e+00 -5.213459200e+00 -5.174794333e+00 2.50 -7.328813880e+00 -5.525146888e+00 -5.480273667e+00 2.52 -7.309801502e+00 -5.792549447e+00 -5.754846912e+00 2.54 -7.279817580e+00 -6.020068342e+00 -6.000497026e+00 2.56 -7.239920950e+00 -6.211753243e+00 -6.219093249e+00 2.58 -7.191089104e+00 -6.371302148e+00 -6.412397513e+00 2.60 -7.134224670e+00 -6.502071609e+00 -6.582070491e+00 2.62 -7.070161287e+00 -6.607094006e+00 -6.729677427e+00 2.64 -6.999668915e+00 -6.689104075e+00 -6.856699947e+00 2.66 -6.923458670e+00 -6.750563685e+00 -6.964542354e+00 2.68 -6.842187214e+00 -6.793678792e+00 -7.054526572e+00 2.70 -6.756460761e+00 -6.820423373e+00 -7.127896167e+00 2.72 -6.666838726e+00 -6.832562929e+00 -7.185820871e+00 2.74 -6.573837069e+00 -6.831676483e+00 -7.229400839e+00 2.76 -6.477931049e+00 -6.819176050e+00 -7.259669497e+00 2.78 -6.379557266e+00 -6.796323017e+00 -7.277594293e+00 2.80 -6.279117264e+00 -6.764247503e+00 -7.284084391e+00 2.82 -6.176980176e+00 -6.723963923e+00 -7.279995140e+00 2.84 -6.073484838e+00 -6.676384039e+00 -7.266131081e+00 2.86 -5.968941745e+00 -6.622328509e+00 -7.243248791e+00 2.88 -5.863634840e+00 -6.562537058e+00 -7.212059568e+00 2.90 -5.757823163e+00 -6.497677427e+00 -7.173231962e+00 2.92 -5.651742360e+00 -6.428353237e+00 -7.127394168e+00 2.94 -5.545606082e+00 -6.355110883e+00 -7.075136283e+00 2.96 -5.439607264e+00 -6.278445590e+00 -7.017012444e+00 2.98 -5.333919317e+00 -6.198806728e+00 -6.953542834e+00 3.00 -5.228697230e+00 -6.116602481e+00 -6.885215595e+00 3.02 -5.124078593e+00 -6.032203953e+00 -6.812488620e+00 3.04 -5.020184572e+00 -5.945948783e+00 -6.735791251e+00 3.06 -4.917120831e+00 -5.858144324e+00 -6.655525889e+00 3.08 -4.814978430e+00 -5.769070452e+00 -6.572069506e+00 3.10 -4.713834704e+00 -5.678982038e+00 -6.485775080e+00 3.12 -4.613754163e+00 -5.588111123e+00 -6.396972950e+00 3.14 -4.514789405e+00 -5.496668826e+00 -6.305972094e+00 3.16 -4.416982081e+00 -5.404847020e+00 -6.213061341e+00 3.18 -4.320363925e+00 -5.312819787e+00 -6.118510510e+00 3.20 -4.224957856e+00 -5.220744678e+00 -6.022571498e+00 3.22 -4.130779160e+00 -5.128763799e+00 -5.925479293e+00 3.24 -4.037836756e+00 -5.037004746e+00 -5.827452943e+00 3.26 -3.946134527e+00 -4.945581405e+00 -5.728696472e+00 3.28 -3.855672693e+00 -4.854594665e+00 -5.629399734e+00 3.30 -3.766449186e+00 -4.764133055e+00 -5.529739235e+00 3.32 -3.678460981e+00 -4.674273367e+00 -5.429878897e+00 3.34 -3.591705322e+00 -4.585081288e+00 -5.329970793e+00 3.36 -3.506180789e+00 -4.496612100e+00 -5.230155826e+00 3.38 -3.421888153e+00 -4.408911468e+00 -5.130564386e+00 3.40 -3.338830965e+00 -4.322016362e+00 -5.031316959e+00 3.42 -3.257015865e+00 -4.235956103e+00 -4.932524707e+00 3.44 -3.176452599e+00 -4.150753548e+00 -4.834290018e+00 3.46 -3.097153764e+00 -4.066426366e+00 -4.736707022e+00 3.48 -3.019134313e+00 -3.982988371e+00 -4.639862077e+00 3.50 -2.942410883e+00 -3.900450845e+00 -4.543834233e+00 3.52 -2.867001009e+00 -3.818823775e+00 -4.448695665e+00 3.54 -2.792922281e+00 -3.738116952e+00 -4.354512083e+00 3.56 -2.720191532e+00 -3.658340850e+00 -4.261343122e+00 3.58 -2.648824090e+00 -3.579507270e+00 -4.169242704e+00 3.60 -2.578833148e+00 -3.501629710e+00 -4.078259385e+00 3.62 -2.510229279e+00 -3.424723483e+00 -3.988436677e+00 3.64 -2.443020099e+00 -3.348805592e+00 -3.899813359e+00 3.66 -2.377210091e+00 -3.273894423e+00 -3.812423757e+00 3.68 -2.312800557e+00 -3.200009293e+00 -3.726298026e+00 3.70 -2.249789695e+00 -3.127169918e+00 -3.641462395e+00 3.72 -2.188172764e+00 -3.055395855e+00 -3.557939416e+00 3.74 -2.127942313e+00 -2.984705954e+00 -3.475748185e+00 3.76 -2.069088455e+00 -2.915117871e+00 -3.394904559e+00 3.78 -2.011599151e+00 -2.846647653e+00 -3.315421350e+00 3.80 -1.955460496e+00 -2.779309418e+00 -3.237308521e+00 3.82 -1.900656995e+00 -2.713115126e+00 -3.160573354e+00 3.84 -1.847171810e+00 -2.648074454e+00 -3.085220621e+00 3.86 -1.794986981e+00 -2.584194736e+00 -3.011252737e+00 3.88 -1.744083622e+00 -2.521480988e+00 -2.938669907e+00 3.90 -1.694442083e+00 -2.459935981e+00 -2.867470259e+00 3.92 -1.646042096e+00 -2.399560355e+00 -2.797649975e+00 3.94 -1.598862889e+00 -2.340352765e+00 -2.729203406e+00 3.96 -1.552883290e+00 -2.282310034e+00 -2.662123188e+00 3.98 -1.508081808e+00 -2.225427321e+00 -2.596400343e+00 4.00 -1.464436716e+00 -2.169698283e+00 -2.532024375e+00 4.02 -1.420243981e+00 -2.115115228e+00 -2.468983360e+00 4.04 -1.353014687e+00 -2.061669265e+00 -2.407264034e+00 4.06 -9.681082362e-01 -2.009350432e+00 -2.346851864e+00 4.08 -7.940956583e-01 -1.958147826e+00 -2.287731126e+00 4.10 -7.684029929e-01 -1.908049705e+00 -2.229884967e+00 4.12 -7.464153031e-01 -1.859043589e+00 -2.173295469e+00 4.14 -7.249836846e-01 -1.811116349e+00 -2.117943705e+00 4.16 -7.040972687e-01 -1.764254283e+00 -2.063809787e+00 4.18 -6.837452422e-01 -1.718443191e+00 -2.010872920e+00 4.20 -6.639168566e-01 -1.673668435e+00 -1.959111437e+00 4.22 -6.446014378e-01 -1.629914999e+00 -1.908502840e+00 4.24 -6.257883940e-01 -1.587167545e+00 -1.859023834e+00 4.26 -6.074672234e-01 -1.545080297e+00 -1.810650350e+00 4.28 -5.896275211e-01 -1.497089809e+00 -1.763357573e+00 4.30 -5.722589856e-01 -1.426173528e+00 -1.717119959e+00 4.32 -5.553514245e-01 -1.330015030e+00 -1.671911244e+00 4.34 -5.388947600e-01 -1.278661388e+00 -1.627704449e+00 4.36 -5.228790335e-01 -1.245501897e+00 -1.584471881e+00 4.38 -5.072944099e-01 -1.213107554e+00 -1.542185121e+00 4.40 -4.912289309e-01 -1.181465509e+00 -1.500815007e+00 4.42 -4.587547085e-01 -1.150562849e+00 -1.460331602e+00 4.44 -3.694013580e-01 -1.120386621e+00 -1.420704162e+00 4.46 -2.114045876e-01 -1.090923856e+00 -1.381901084e+00 4.48 -1.481299988e-01 -1.062161585e+00 -1.343889853e+00 4.50 -1.437772361e-01 -1.034086853e+00 -1.306636980e+00 4.52 -1.395392497e-01 -1.006686742e+00 -1.270107937e+00 4.54 -1.354136214e-01 -9.799483814e-01 -1.234267098e+00 4.56 -1.313979535e-01 -9.538589623e-01 -1.199077708e+00 4.58 -1.274898707e-01 -9.284057505e-01 -1.164501880e+00 4.60 -1.236870217e-01 -9.035760979e-01 -1.130500672e+00 4.62 -1.199870802e-01 -8.793574529e-01 -1.097034271e+00 4.64 -1.163877467e-01 -8.557373705e-01 -1.064062364e+00 4.66 -1.128867491e-01 -8.327035204e-01 -1.031544764e+00 4.68 -1.094818441e-01 -8.102436955e-01 -9.994424133e-01 4.70 -1.061708179e-01 -7.883458189e-01 -9.677189020e-01 4.72 -1.029514870e-01 -7.669979505e-01 -9.363426554e-01 4.74 -9.982169923e-02 -7.461882929e-01 -9.052899515e-01 4.76 -9.677933407e-02 -7.259051963e-01 -8.745488725e-01 4.78 -9.382230340e-02 -7.061371637e-01 -8.441241723e-01 4.80 -9.094855188e-02 -6.868728545e-01 -8.140427911e-01 4.82 -8.815605744e-02 -6.681010882e-01 -7.843593608e-01 4.84 -8.544283158e-02 -6.498108478e-01 -7.551605295e-01 4.86 -8.280691964e-02 -6.319912821e-01 -7.265664184e-01 4.88 -8.024640106e-02 -6.146317082e-01 -6.987272688e-01 4.90 -7.775938948e-02 -5.977216131e-01 -6.718136821e-01 4.92 -7.510312486e-02 -5.795178482e-01 -6.439612406e-01 4.94 -6.930883003e-02 -5.385181230e-01 -5.903706524e-01 4.96 -5.357799474e-02 -4.241297599e-01 -4.544227845e-01 4.98 -2.388063981e-02 -1.994043733e-01 -2.026583883e-01 5.00 -1.313392624e-24 -1.143375621e-23 -9.705744430e-24 5.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.14 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.16 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00