# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2018--Dickel-D-E-Baskes-M-I-Aslam-I-Barrett-C-D--Mg-Al-Zn # implementation = 2018--Dickel-D-E--Mg-Al-Zn--LAMMPS--ipr1 # composition = MgZn3 # 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 3.746967961e+02 nan nan 1.06 3.456368975e+02 nan nan 1.08 3.191236306e+02 nan nan 1.10 2.949096943e+02 nan nan 1.12 2.727741492e+02 3.732733533e+02 nan 1.14 2.525193382e+02 3.462969228e+02 nan 1.16 2.339682017e+02 3.215154173e+02 3.526699946e+02 1.18 2.169619324e+02 2.987311033e+02 3.276665984e+02 1.20 2.013579218e+02 2.777658182e+02 3.046322699e+02 1.22 1.870279602e+02 2.584588425e+02 2.833960046e+02 1.24 1.738566535e+02 2.406650242e+02 2.638032983e+02 1.26 1.617400302e+02 2.242361012e+02 2.457144218e+02 1.28 1.505843033e+02 2.089790190e+02 2.290028810e+02 1.30 1.403333462e+02 1.948113105e+02 2.135540407e+02 1.32 1.311463317e+02 1.816649435e+02 1.992638906e+02 1.34 1.226590110e+02 1.694722429e+02 1.860379385e+02 1.36 1.145717171e+02 1.581671918e+02 1.737902181e+02 1.38 1.067418213e+02 1.477244391e+02 1.624424010e+02 1.40 9.912281302e+01 1.382556001e+02 1.519230055e+02 1.42 9.172250197e+01 1.295535535e+02 1.421666934e+02 1.44 8.457516608e+01 1.214427037e+02 1.331138650e+02 1.46 7.772362467e+01 1.137534175e+02 1.246174110e+02 1.48 7.120826279e+01 1.063523003e+02 1.165222676e+02 1.50 6.506088124e+01 9.924841395e+01 1.088489793e+02 1.52 5.930187754e+01 9.245787925e+01 1.016073289e+02 1.54 5.393972216e+01 8.599677012e+01 9.479693590e+01 1.56 4.897201195e+01 7.987810762e+01 8.841004161e+01 1.58 4.438711317e+01 7.410911247e+01 8.243186299e+01 1.60 4.021916782e+01 6.883021267e+01 7.705160484e+01 1.62 3.647740819e+01 6.411921724e+01 7.236986758e+01 1.64 3.307382179e+01 5.979240843e+01 6.810054069e+01 1.66 2.994683637e+01 5.573051360e+01 6.405945009e+01 1.68 2.705597491e+01 5.186312022e+01 6.014034872e+01 1.70 2.437557177e+01 4.815280724e+01 5.629032428e+01 1.72 2.188959763e+01 4.458357138e+01 5.249161244e+01 1.74 1.958761033e+01 4.115251816e+01 4.874834438e+01 1.76 1.746184919e+01 3.786401010e+01 4.507706659e+01 1.78 1.550538465e+01 3.472564729e+01 4.150012001e+01 1.80 1.371112259e+01 3.174559876e+01 3.804116541e+01 1.82 1.207141042e+01 2.893091773e+01 3.472230144e+01 1.84 1.057800620e+01 2.628656453e+01 3.156234792e+01 1.86 9.222226398e+00 2.381493127e+01 2.857596635e+01 1.88 7.995154229e+00 2.151571793e+01 2.577336712e+01 1.90 6.887843756e+00 1.938605107e+01 2.316041337e+01 1.92 5.891491867e+00 1.742076798e+01 2.073897853e+01 1.94 4.997571307e+00 1.561281039e+01 1.850745083e+01 1.96 4.197925515e+00 1.395368606e+01 1.646130715e+01 1.98 3.484771118e+00 1.243396258e+01 1.459370051e+01 2.00 2.850623529e+00 1.104375981e+01 1.289602352e+01 2.02 2.288330150e+00 9.773205710e+00 1.135842357e+01 2.04 1.791119576e+00 8.612820768e+00 9.970256124e+00 2.06 1.352635522e+00 7.553800553e+00 8.720470315e+00 2.08 9.669575377e-01 6.588176841e+00 7.597926537e+00 2.10 6.286106011e-01 5.708831087e+00 6.591649685e+00 2.12 3.325653146e-01 4.909392659e+00 5.691023868e+00 2.14 7.423048215e-02 4.184113334e+00 4.885935709e+00 2.16 -1.505603432e-01 3.527721266e+00 4.166873753e+00 2.18 -3.455669604e-01 2.935281567e+00 3.524991339e+00 2.20 -5.141639571e-01 2.402086738e+00 2.952139826e+00 2.22 -6.593644594e-01 1.923584900e+00 2.440878312e+00 2.24 -7.838452311e-01 1.495355344e+00 1.984465251e+00 2.26 -8.899731004e-01 1.113119213e+00 1.576836543e+00 2.28 -9.798426283e-01 7.727693905e-01 1.212573919e+00 2.30 -1.055315421e+00 4.704074857e-01 8.868667549e-01 2.32 -1.118042577e+00 2.023788333e-01 5.954698248e-01 2.34 -1.169483948e+00 -3.470019077e-02 3.346589653e-01 2.36 -1.210926468e+00 -2.439250479e-01 1.011861758e-01 2.38 -1.243501408e+00 -4.280964061e-01 -1.077647167e-01 2.40 -1.268200911e+00 -5.897239415e-01 -2.946226730e-01 2.42 -1.285901799e+00 -7.310601880e-01 -4.615058942e-01 2.44 -1.297391637e+00 -8.541490077e-01 -6.103096255e-01 2.46 -1.303379898e+00 -9.608410876e-01 -7.427364579e-01 2.48 -1.304505679e+00 -1.052805197e+00 -8.603145265e-01 2.50 -1.301344606e+00 -1.131540961e+00 -9.644140491e-01 2.52 -1.294415043e+00 -1.198392362e+00 -1.056262503e+00 2.54 -1.284183666e+00 -1.254564690e+00 -1.136963522e+00 2.56 -1.271070488e+00 -1.301144947e+00 -1.207520355e+00 2.58 -1.255453377e+00 -1.339114728e+00 -1.268847867e+00 2.60 -1.237672138e+00 -1.369360276e+00 -1.321780506e+00 2.62 -1.218032184e+00 -1.392681760e+00 -1.367079508e+00 2.64 -1.196807865e+00 -1.409801776e+00 -1.405439449e+00 2.66 -1.174245460e+00 -1.421373071e+00 -1.437494180e+00 2.68 -1.150565892e+00 -1.427985520e+00 -1.463822234e+00 2.70 -1.125967174e+00 -1.430172419e+00 -1.484951733e+00 2.72 -1.100626624e+00 -1.428416125e+00 -1.501364855e+00 2.74 -1.074702866e+00 -1.423153125e+00 -1.513501893e+00 2.76 -1.048337642e+00 -1.414778562e+00 -1.521764953e+00 2.78 -1.021657446e+00 -1.403650295e+00 -1.526521316e+00 2.80 -9.947750067e-01 -1.390092529e+00 -1.528106501e+00 2.82 -9.677906246e-01 -1.374399061e+00 -1.526827052e+00 2.84 -9.407933824e-01 -1.356836190e+00 -1.522963077e+00 2.86 -9.138622395e-01 -1.337645321e+00 -1.516770559e+00 2.88 -8.870670206e-01 -1.317045306e+00 -1.508483466e+00 2.90 -8.604693109e-01 -1.295234536e+00 -1.498315660e+00 2.92 -8.341232637e-01 -1.272392830e+00 -1.486462657e+00 2.94 -8.080763316e-01 -1.248683130e+00 -1.473103208e+00 2.96 -7.823699268e-01 -1.224253028e+00 -1.458400757e+00 2.98 -7.570400171e-01 -1.199236146e+00 -1.442504762e+00 3.00 -7.321176666e-01 -1.173753378e+00 -1.425551896e+00 3.02 -7.076295215e-01 -1.147914020e+00 -1.407667149e+00 3.04 -6.835982515e-01 -1.121816786e+00 -1.388964830e+00 3.06 -6.600429472e-01 -1.095550736e+00 -1.369549475e+00 3.08 -6.369794797e-01 -1.069196113e+00 -1.349516682e+00 3.10 -6.144208255e-01 -1.042825110e+00 -1.328953871e+00 3.12 -5.923773599e-01 -1.016502563e+00 -1.307940972e+00 3.14 -5.708571225e-01 -9.902865845e-01 -1.286551058e+00 3.16 -5.498660567e-01 -9.642291454e-01 -1.264850922e+00 3.18 -5.294082268e-01 -9.383765985e-01 -1.242901599e+00 3.20 -5.094860132e-01 -9.127701643e-01 -1.220758850e+00 3.22 -4.901002901e-01 -8.874463716e-01 -1.198473592e+00 3.24 -4.712505853e-01 -8.624374627e-01 -1.176092306e+00 3.26 -4.529352251e-01 -8.377717633e-01 -1.153657397e+00 3.28 -4.351514648e-01 -8.134740232e-01 -1.131207525e+00 3.30 -4.178956078e-01 -7.895657271e-01 -1.108777917e+00 3.32 -4.011631122e-01 -7.660653813e-01 -1.086400638e+00 3.34 -3.849486877e-01 -7.429887759e-01 -1.064104848e+00 3.36 -3.692463836e-01 -7.203492255e-01 -1.041917038e+00 3.38 -3.540496680e-01 -6.981577913e-01 -1.019861238e+00 3.40 -3.393514996e-01 -6.764234835e-01 -9.979592141e-01 3.42 -3.251443927e-01 -6.551534484e-01 -9.762306493e-01 3.44 -3.114204760e-01 -6.343531394e-01 -9.546933047e-01 3.46 -2.981715460e-01 -6.140264750e-01 -9.333631705e-01 3.48 -2.853891151e-01 -5.941759824e-01 -9.122546040e-01 3.50 -2.730644552e-01 -5.748029308e-01 -8.913804561e-01 3.52 -2.611886376e-01 -5.559074528e-01 -8.707521871e-01 3.54 -2.497525680e-01 -5.374886561e-01 -8.503799741e-01 3.56 -2.387470195e-01 -5.195447256e-01 -8.302728089e-01 3.58 -2.281626617e-01 -5.020730179e-01 -8.104385883e-01 3.60 -2.179900869e-01 -4.850701467e-01 -7.908841980e-01 3.62 -2.082198343e-01 -4.685320618e-01 -7.716155887e-01 3.64 -1.988424116e-01 -4.524541216e-01 -7.526378474e-01 3.66 -1.898483143e-01 -4.368311585e-01 -7.339552626e-01 3.68 -1.812280437e-01 -4.216575403e-01 -7.155713846e-01 3.70 -1.729721225e-01 -4.069272242e-01 -6.974890817e-01 3.72 -1.650711089e-01 -3.926338087e-01 -6.797105916e-01 3.74 -1.575156101e-01 -3.787705787e-01 -6.622375695e-01 3.76 -1.502962934e-01 -3.653305481e-01 -6.450711322e-01 3.78 -1.434038969e-01 -3.523064982e-01 -6.282118994e-01 3.80 -1.368292385e-01 -3.396910127e-01 -6.116600322e-01 3.82 -1.305632247e-01 -3.274765098e-01 -5.954152681e-01 3.84 -1.245968575e-01 -3.156552711e-01 -5.794769543e-01 3.86 -1.189212417e-01 -3.042194685e-01 -5.638440783e-01 3.88 -1.135275905e-01 -2.931611879e-01 -5.485152968e-01 3.90 -1.084072305e-01 -2.824724513e-01 -5.334889620e-01 3.92 -1.035516070e-01 -2.721452365e-01 -5.187631464e-01 3.94 -9.895228750e-02 -2.621714959e-01 -5.043356666e-01 3.96 -9.460096569e-02 -2.525431717e-01 -4.902041042e-01 3.98 -9.048946443e-02 -2.432522120e-01 -4.763658266e-01 4.00 -8.660973857e-02 -2.342905832e-01 -4.628180055e-01 4.02 -8.295387729e-02 -2.256502828e-01 -4.495576349e-01 4.04 -7.951410618e-02 -2.173233502e-01 -4.365815475e-01 4.06 -7.628278894e-02 -2.093018764e-01 -4.238864303e-01 4.08 -7.325242890e-02 -2.015780132e-01 -4.114688388e-01 4.10 -7.041567017e-02 -1.941439811e-01 -3.993252110e-01 4.12 -6.776529868e-02 -1.869920762e-01 -3.874518799e-01 4.14 -6.529424298e-02 -1.801146772e-01 -3.758450854e-01 4.16 -6.299557481e-02 -1.735042508e-01 -3.645009854e-01 4.18 -6.086250957e-02 -1.671533569e-01 -3.534156666e-01 4.20 -5.888840663e-02 -1.610546530e-01 -3.425851540e-01 4.22 -5.706676947e-02 -1.552008986e-01 -3.320054201e-01 4.24 -5.539124571e-02 -1.495849586e-01 -3.216723937e-01 4.26 -5.385562709e-02 -1.441998061e-01 -3.115819679e-01 4.28 -5.245384923e-02 -1.390385258e-01 -3.017300073e-01 4.30 -5.117999140e-02 -1.340943158e-01 -2.921123558e-01 4.32 -5.002827619e-02 -1.293604898e-01 -2.827248425e-01 4.34 -4.899306902e-02 -1.248304791e-01 -2.735632881e-01 4.36 -4.806887768e-02 -1.204978337e-01 -2.646235109e-01 4.38 -4.725035171e-02 -1.163562238e-01 -2.559013319e-01 4.40 -4.653228179e-02 -1.123994404e-01 -2.473925800e-01 4.42 -4.590959902e-02 -1.086213967e-01 -2.390930966e-01 4.44 -4.537737412e-02 -1.050161279e-01 -2.309987399e-01 4.46 -4.493081663e-02 -1.015777923e-01 -2.231053892e-01 4.48 -4.456527397e-02 -9.830067106e-02 -2.154089482e-01 4.50 -4.427623052e-02 -9.517916837e-02 -2.079053491e-01 4.52 -4.405930658e-02 -9.220781156e-02 -2.005905551e-01 4.54 -4.391025728e-02 -8.938125074e-02 -1.934605641e-01 4.56 -4.382497145e-02 -8.669425854e-02 -1.865114109e-01 4.58 -4.379947042e-02 -8.414172967e-02 -1.797391700e-01 4.60 -4.382990672e-02 -8.171868041e-02 -1.731399579e-01 4.62 -4.391256278e-02 -7.942024794e-02 -1.667099349e-01 4.64 -4.404384951e-02 -7.724168968e-02 -1.604453075e-01 4.66 -4.422030482e-02 -7.517838243e-02 -1.543423297e-01 4.68 -4.443859213e-02 -7.322582152e-02 -1.483973049e-01 4.70 -4.469549872e-02 -7.137961985e-02 -1.426065871e-01 4.72 -4.498793407e-02 -6.963550684e-02 -1.369665823e-01 4.74 -4.531292815e-02 -6.798932736e-02 -1.314737496e-01 4.76 -4.566762956e-02 -6.643704052e-02 -1.261246019e-01 4.78 -4.604930371e-02 -6.497471853e-02 -1.209157072e-01 4.80 -4.645533083e-02 -6.359854533e-02 -1.158436890e-01 4.82 -4.688352136e-02 -6.230481534e-02 -1.109052270e-01 4.84 -4.894588384e-02 -6.108993203e-02 -1.060970579e-01 4.86 -6.672755610e-02 -5.995040647e-02 -1.014159751e-01 4.88 -1.174964590e-01 -5.888285591e-02 -9.685882982e-02 4.90 -1.556546891e-01 -5.788400220e-02 -9.242253072e-02 4.92 -1.541343745e-01 -5.695067026e-02 -8.810404435e-02 4.94 -1.526461089e-01 -5.607978646e-02 -8.390039509e-02 4.96 -1.511885271e-01 -5.526837697e-02 -7.980866516e-02 4.98 -1.497603227e-01 -5.451356610e-02 -7.582599451e-02 5.00 -1.483602471e-01 -5.381257457e-02 -7.194958068e-02 5.02 -1.469871070e-01 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