# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2007--Vashishta-P-Kalia-R-K-Nakano-A-Rino-J-P--Si-C # implementation = 2007--Vashishta-P--Si-C--LAMMPS--ipr1 # composition = CSi3 # 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 2022-05-24 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 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 1.327644896e+02 nan nan 1.22 1.182984682e+02 nan nan 1.24 1.058810481e+02 nan nan 1.26 9.511608443e+01 nan nan 1.28 8.574082713e+01 nan nan 1.30 7.753022111e+01 nan nan 1.32 7.030424976e+01 1.236756829e+02 nan 1.34 6.391949881e+01 1.105920156e+02 1.393304598e+02 1.36 5.826433290e+01 9.930796638e+01 1.252810404e+02 1.38 5.324452698e+01 8.959204815e+01 1.129234564e+02 1.40 4.878276889e+01 8.123142116e+01 1.020297160e+02 1.42 4.481143201e+01 7.403399051e+01 9.239754923e+01 1.44 4.127496098e+01 6.782223353e+01 8.387215944e+01 1.46 3.813250314e+01 6.241324573e+01 7.632279869e+01 1.48 3.535267281e+01 5.764023780e+01 6.963896858e+01 1.50 3.291029324e+01 5.339133781e+01 6.373344440e+01 1.52 3.076470661e+01 4.958974098e+01 5.853032497e+01 1.54 2.886310851e+01 4.617173706e+01 5.396240213e+01 1.56 2.715695455e+01 4.308965704e+01 4.996778557e+01 1.58 2.560682927e+01 4.030285381e+01 4.647943855e+01 1.60 2.418850832e+01 3.777626341e+01 4.341560762e+01 1.62 2.288246502e+01 3.547838048e+01 4.069139804e+01 1.64 2.167525860e+01 3.338321451e+01 3.823399981e+01 1.66 2.055425985e+01 3.146867835e+01 3.599882576e+01 1.68 1.950500272e+01 2.971577115e+01 3.395558430e+01 1.70 1.852262507e+01 2.810802443e+01 3.208342543e+01 1.72 1.760176891e+01 2.662444731e+01 3.036444809e+01 1.74 1.673699766e+01 2.524457659e+01 2.878237837e+01 1.76 1.592362473e+01 2.395811800e+01 2.731700004e+01 1.78 1.515633468e+01 2.275616621e+01 2.595502081e+01 1.80 1.443432331e+01 2.163101709e+01 2.468643798e+01 1.82 1.375316481e+01 2.057595575e+01 2.350253149e+01 1.84 1.311010139e+01 1.958506977e+01 2.239560648e+01 1.86 1.250176784e+01 1.865190035e+01 2.135697164e+01 1.88 1.192415134e+01 1.777118271e+01 2.037957069e+01 1.90 1.137287404e+01 1.693905675e+01 1.945831680e+01 1.92 1.084889012e+01 1.615215028e+01 1.858876767e+01 1.94 1.035089986e+01 1.540753267e+01 1.776699486e+01 1.96 9.877742190e+00 1.470265437e+01 1.698950666e+01 1.98 9.428401526e+00 1.403528076e+01 1.625321419e+01 2.00 9.001989995e+00 1.340344705e+01 1.555538089e+01 2.02 8.595122575e+00 1.280509605e+01 1.489357900e+01 2.04 8.206580693e+00 1.223482985e+01 1.426565236e+01 2.06 7.836973160e+00 1.169038997e+01 1.366972769e+01 2.08 7.485285090e+00 1.117081826e+01 1.310412778e+01 2.10 7.151133123e+00 1.067529412e+01 1.256732755e+01 2.12 6.834178534e+00 1.020311252e+01 1.205796791e+01 2.14 6.533441210e+00 9.753675009e+00 1.157281622e+01 2.16 6.247725320e+00 9.326463335e+00 1.110806563e+01 2.18 5.976330920e+00 8.921022105e+00 1.066288539e+01 2.20 5.717664120e+00 8.536895578e+00 1.023656302e+01 2.22 5.473891192e+00 8.173624871e+00 9.828474856e+00 2.24 5.244495581e+00 7.830732496e+00 9.438089773e+00 2.26 5.028740684e+00 7.507451608e+00 9.064937919e+00 2.28 4.826190029e+00 7.201592033e+00 8.708603555e+00 2.30 4.636325731e+00 6.912242868e+00 8.368724677e+00 2.32 4.458543031e+00 6.638684801e+00 8.044985467e+00 2.34 4.292153347e+00 6.380076861e+00 7.735853849e+00 2.36 4.136399061e+00 6.135453440e+00 7.438434808e+00 2.38 3.990482603e+00 5.903739870e+00 7.152527805e+00 2.40 3.852760247e+00 5.683803618e+00 6.878037012e+00 2.42 3.720592020e+00 5.474562778e+00 6.614869148e+00 2.44 3.593953998e+00 5.275145616e+00 6.362924326e+00 2.46 3.472604376e+00 5.085007628e+00 6.122089721e+00 2.48 3.355407211e+00 4.903871858e+00 5.892242314e+00 2.50 3.242063807e+00 4.731523195e+00 5.673203812e+00 2.52 3.132472767e+00 4.567744139e+00 5.464744749e+00 2.54 3.026550168e+00 4.412307757e+00 5.266578154e+00 2.56 2.924217039e+00 4.264974702e+00 5.078351365e+00 2.58 2.825397360e+00 4.125491183e+00 4.899640753e+00 2.60 2.730013856e+00 3.993580476e+00 4.729949022e+00 2.62 2.637080796e+00 3.867130140e+00 4.568257304e+00 2.64 2.545857183e+00 3.744502326e+00 4.413615577e+00 2.66 2.456317680e+00 3.625482250e+00 4.265401262e+00 2.68 2.368437629e+00 3.509857429e+00 4.122993911e+00 2.70 2.281696767e+00 3.397428533e+00 3.985813575e+00 2.72 2.195096502e+00 3.288020215e+00 3.853359048e+00 2.74 2.108917850e+00 3.181489151e+00 3.725236322e+00 2.76 2.024826746e+00 3.077726330e+00 3.601166981e+00 2.78 1.943046967e+00 2.976652204e+00 3.480971806e+00 2.80 1.863537357e+00 2.878206696e+00 3.364552570e+00 2.82 1.786257695e+00 2.782339150e+00 3.251834747e+00 2.84 1.711168644e+00 2.689002449e+00 3.142741706e+00 2.86 1.638231715e+00 2.598154129e+00 3.037200210e+00 2.88 1.567409228e+00 2.509759431e+00 2.935139426e+00 2.90 1.498664278e+00 2.423775470e+00 2.836490733e+00 2.92 1.431960708e+00 2.340159774e+00 2.741187588e+00 2.94 1.367263081e+00 2.258876966e+00 2.649165392e+00 2.96 1.304536653e+00 2.179893015e+00 2.560361384e+00 2.98 1.243747357e+00 2.103167922e+00 2.474714537e+00 3.00 1.184861777e+00 2.028662632e+00 2.392165461e+00 3.02 1.127847135e+00 1.956339001e+00 2.312275196e+00 3.04 1.072671267e+00 1.886159743e+00 2.234568564e+00 3.06 1.019302614e+00 1.818088391e+00 2.159008237e+00 3.08 9.677102023e-01 1.752089264e+00 2.085558138e+00 3.10 9.178636329e-01 1.688127431e+00 2.014183000e+00 3.12 8.697330667e-01 1.626168684e+00 1.944848332e+00 3.14 8.232644346e-01 1.566179506e+00 1.877520375e+00 3.16 7.780353456e-01 1.508127050e+00 1.812166081e+00 3.18 7.338903867e-01 1.451979114e+00 1.748753073e+00 3.20 6.908135582e-01 1.397499984e+00 1.687249628e+00 3.22 6.489894262e-01 1.344332196e+00 1.627624646e+00 3.24 6.091875170e-01 1.292451976e+00 1.569847632e+00 3.26 5.714522802e-01 1.241840599e+00 1.513888676e+00 3.28 5.357463586e-01 1.192479612e+00 1.459718432e+00 3.30 5.019261965e-01 1.144350827e+00 1.407310234e+00 3.32 4.695910512e-01 1.097436316e+00 1.356642980e+00 3.34 4.386846618e-01 1.051718411e+00 1.307689098e+00 3.36 4.091827356e-01 1.007179690e+00 1.260420908e+00 3.38 3.810614331e-01 9.638029829e-01 1.214811243e+00 3.40 3.542973590e-01 9.215713616e-01 1.170833434e+00 3.42 3.288675535e-01 8.804681388e-01 1.128461297e+00 3.44 3.047494842e-01 8.404768644e-01 1.087669124e+00 3.46 2.819210377e-01 8.015813226e-01 1.048431669e+00 3.48 2.603605111e-01 7.637655287e-01 1.010724138e+00 3.50 2.400466049e-01 7.270137268e-01 9.745221779e-01 3.52 2.209584144e-01 6.913103868e-01 9.398018703e-01 3.54 2.030754227e-01 6.566402017e-01 9.065397184e-01 3.56 1.863774933e-01 6.229880857e-01 8.747126398e-01 3.58 1.708448624e-01 5.903391710e-01 8.442979578e-01 3.60 1.564581318e-01 5.586788060e-01 8.152733928e-01 3.62 1.431982624e-01 5.279925524e-01 7.876170550e-01 3.64 1.310465667e-01 4.982661833e-01 7.613074360e-01 3.66 1.199847024e-01 4.694856805e-01 7.363234018e-01 3.68 1.099819005e-01 4.416373173e-01 7.126186553e-01 3.70 1.007416350e-01 4.147093273e-01 6.896150813e-01 3.72 9.213848486e-02 3.886889693e-01 6.670764774e-01 3.74 8.416278627e-02 3.635629309e-01 6.449978627e-01 3.76 7.680502448e-02 3.393181017e-01 6.233742691e-01 3.78 7.005583241e-02 3.159415706e-01 6.022007434e-01 3.80 6.390598880e-02 2.934206237e-01 5.814723494e-01 3.82 5.834641659e-02 2.717427414e-01 5.611841706e-01 3.84 5.336818112e-02 2.508956193e-01 5.413313117e-01 3.86 4.896248836e-02 2.308713590e-01 5.219089013e-01 3.88 4.512068319e-02 2.116609341e-01 5.029120930e-01 3.90 4.183424752e-02 1.932522940e-01 4.843360675e-01 3.92 3.909479856e-02 1.756335824e-01 4.661760342e-01 3.94 3.678125592e-02 1.587931337e-01 4.484272327e-01 3.96 3.435936951e-02 1.427194707e-01 4.310849340e-01 3.98 3.176496221e-02 1.274013010e-01 4.141444421e-01 4.00 2.900211439e-02 1.128275144e-01 3.976010950e-01 4.02 2.607478563e-02 9.898717990e-02 3.814502659e-01 4.04 2.298681903e-02 8.586954275e-02 3.656873642e-01 4.06 1.974194532e-02 7.346402177e-02 3.503078366e-01 4.08 1.634743639e-02 6.176020647e-02 3.353071674e-01 4.10 1.301503628e-02 5.074785430e-02 3.206808801e-01 4.12 9.864792996e-03 4.041688793e-02 3.064245375e-01 4.14 6.894511918e-03 3.075739253e-02 2.925337424e-01 4.16 4.102016926e-03 2.175961319e-02 2.790041385e-01 4.18 1.485150827e-03 1.341395223e-02 2.658314105e-01 4.20 -9.582242517e-04 5.710966673e-03 2.530112849e-01 4.22 -3.230226521e-03 -1.358634349e-03 2.405395302e-01 4.24 -5.332954215e-03 -7.803992072e-03 2.284119572e-01 4.26 -7.303273950e-03 -1.363410059e-02 2.166264827e-01 4.28 -9.208469436e-03 -1.885780931e-02 2.051828053e-01 4.30 -1.105053566e-02 -2.348382532e-02 1.940767467e-01 4.32 -1.282987844e-02 -2.752071583e-02 1.833040847e-01 4.34 -1.454691423e-02 -3.097691043e-02 1.728606481e-01 4.36 -1.620206921e-02 -3.386070347e-02 1.627423172e-01 4.38 -1.779577848e-02 -3.618025628e-02 1.529450225e-01 4.40 -1.932848529e-02 -3.794359943e-02 1.434647454e-01 4.42 -2.080064025e-02 -3.915863493e-02 1.342975172e-01 4.44 -2.221270066e-02 -3.983313842e-02 1.254394188e-01 4.46 -2.356512984e-02 -3.997476125e-02 1.168865806e-01 4.48 -2.485839648e-02 -3.959103265e-02 1.086351819e-01 4.50 -2.609297409e-02 -3.868936177e-02 1.006814507e-01 4.52 -2.726934040e-02 -3.752362036e-02 9.302166296e-02 4.54 -2.838797684e-02 -3.639143143e-02 8.565214263e-02 4.56 -2.944936804e-02 -3.529233686e-02 7.856926084e-02 4.58 -3.045400135e-02 -3.422531532e-02 7.176943563e-02 4.60 -3.140236644e-02 -3.318938033e-02 6.524913150e-02 4.62 -3.229495480e-02 -3.218357888e-02 5.900485892e-02 4.64 -3.313225942e-02 -3.120699028e-02 5.303317391e-02 4.66 -3.391477436e-02 -3.025872487e-02 4.733067755e-02 4.68 -3.464299445e-02 -2.933792297e-02 4.189401552e-02 4.70 -3.531741491e-02 -2.844375371e-02 3.671987762e-02 4.72 -3.593853106e-02 -2.757541402e-02 3.180499731e-02 4.74 -3.650683806e-02 -2.673212758e-02 2.714615121e-02 4.76 -3.702283056e-02 -2.591314388e-02 2.274015864e-02 4.78 -3.748700251e-02 -2.511773726e-02 1.858388110e-02 4.80 -3.789984690e-02 -2.434520602e-02 1.467422184e-02 4.82 -3.826185550e-02 -2.359487155e-02 1.100812532e-02 4.84 -3.857351870e-02 -2.286607752e-02 7.582576759e-03 4.86 -3.883532525e-02 -2.215818904e-02 4.394601617e-03 4.88 -3.904776213e-02 -2.147059195e-02 1.441265143e-03 4.90 -3.921131435e-02 -2.080269201e-02 -1.280328130e-03 4.92 -3.932646479e-02 -2.015391427e-02 -3.773034869e-03 4.94 -3.939369402e-02 -1.952370231e-02 -6.039673418e-03 4.96 -3.941348023e-02 -1.891151767e-02 -8.083024283e-03 4.98 -3.938629902e-02 -1.831683912e-02 -9.905830609e-03 5.00 -3.931262332e-02 -1.773916213e-02 -1.151079866e-02 5.02 -3.919292326e-02 -1.717799828e-02 -1.290059829e-02 5.04 -3.902766610e-02 -1.663287463e-02 -1.407786343e-02 5.06 -3.881731608e-02 -1.610333328e-02 -1.504519251e-02 5.08 -3.856233437e-02 -1.558893075e-02 -1.580514899e-02 5.10 -3.826317896e-02 -1.508923757e-02 -1.636026178e-02 5.12 -3.792030462e-02 -1.460383773e-02 -1.671302570e-02 5.14 -3.753416279e-02 -1.413232825e-02 -1.686590196e-02 5.16 -3.710520155e-02 -1.367431871e-02 -1.682131859e-02 5.18 -3.663386554e-02 -1.322943086e-02 -1.658167090e-02 5.20 -3.612059593e-02 -1.279729817e-02 -1.615127581e-02 5.22 -3.556583035e-02 -1.237756544e-02 -1.565845740e-02 5.24 -3.497000286e-02 -1.196988841e-02 -1.517907768e-02 5.26 -3.433354392e-02 -1.157393343e-02 -1.471276723e-02 5.28 -3.365688035e-02 -1.118937703e-02 -1.425916789e-02 5.30 -3.294043528e-02 -1.081590565e-02 -1.381793237e-02 5.32 -3.218462817e-02 -1.045321527e-02 -1.338872387e-02 5.34 -3.138987476e-02 -1.010101109e-02 -1.297121576e-02 5.36 -3.055658705e-02 -9.759007248e-03 -1.256509124e-02 5.38 -2.968517329e-02 -9.426926492e-03 -1.217004298e-02 5.40 -2.877603797e-02 -9.104499921e-03 -1.178577286e-02 5.42 -2.782958184e-02 -8.791466697e-03 -1.141199163e-02 5.44 -2.684620183e-02 -8.487573781e-03 -1.104841866e-02 5.46 -2.582629114e-02 -8.192575680e-03 -1.069478159e-02 5.48 -2.477023917e-02 -7.906234196e-03 -1.035081615e-02 5.50 -2.367843153e-02 -7.628318192e-03 -1.001626582e-02 5.52 -2.255125009e-02 -7.358603363e-03 -9.690881636e-03 5.54 -2.138907294e-02 -7.096872009e-03 -9.374421904e-03 5.56 -2.019227441e-02 -6.842912828e-03 -9.066651997e-03 5.58 -1.896122508e-02 -6.596520706e-03 -8.767344116e-03 5.60 -1.769629180e-02 -6.357496518e-03 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-3.119232780e-03 -4.428624772e-03 5.98 1.231427260e-02 -2.989087732e-03 -4.259534425e-03 6.00 1.418544997e-02 -2.863333495e-03 -4.095372235e-03