# 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 = AlMo3 # 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 2.788206858e+02 nan nan 1.16 2.566112959e+02 nan nan 1.18 2.362249066e+02 nan nan 1.20 2.174851411e+02 nan nan 1.22 2.002339447e+02 nan nan 1.24 1.843298937e+02 nan nan 1.26 1.696483233e+02 nan nan 1.28 1.560815003e+02 2.416248511e+02 2.775600390e+02 1.30 1.435377771e+02 2.239098390e+02 2.576487872e+02 1.32 1.319395504e+02 2.075221634e+02 2.391869409e+02 1.34 1.212198443e+02 1.923455671e+02 2.220512881e+02 1.36 1.113181296e+02 1.782724644e+02 2.061351052e+02 1.38 1.021769204e+02 1.652052462e+02 1.913454142e+02 1.40 9.374022518e+01 1.530570970e+02 1.775988381e+02 1.42 8.595356564e+01 1.417516793e+02 1.648187268e+02 1.44 7.876453329e+01 1.312217731e+02 1.529341778e+02 1.46 7.212326197e+01 1.214076555e+02 1.418798172e+02 1.48 6.598285874e+01 1.122561252e+02 1.315953711e+02 1.50 6.029998576e+01 1.037202999e+02 1.220249227e+02 1.52 5.503556025e+01 9.575950130e+01 1.131161725e+02 1.54 5.015528872e+01 8.833860957e+01 1.048200199e+02 1.56 4.562973320e+01 8.142687911e+01 9.709053992e+01 1.58 4.143386850e+01 7.499652912e+01 8.988517004e+01 1.60 3.754630915e+01 6.902136395e+01 8.316486051e+01 1.62 3.394837504e+01 6.347559251e+01 7.689402562e+01 1.64 3.062401369e+01 5.833301089e+01 7.104026336e+01 1.66 2.756439954e+01 5.356669518e+01 6.557396918e+01 1.68 2.475468401e+01 4.914924394e+01 6.046805745e+01 1.70 2.217938865e+01 4.505342114e+01 5.569790322e+01 1.72 1.982262165e+01 4.125289892e+01 5.124140252e+01 1.74 1.766744851e+01 3.772283385e+01 4.707894163e+01 1.76 1.569716181e+01 3.444020764e+01 4.319314427e+01 1.78 1.389547721e+01 3.138443933e+01 3.956840358e+01 1.80 1.224664737e+01 2.854172818e+01 3.619029022e+01 1.82 1.073552167e+01 2.589869113e+01 3.304495899e+01 1.84 9.347650767e+00 2.344164328e+01 3.011996884e+01 1.86 8.069530776e+00 2.115905889e+01 2.740732840e+01 1.88 6.888986249e+00 1.903963971e+01 2.489331840e+01 1.90 5.795558459e+00 1.707349054e+01 2.256374104e+01 1.92 4.780709245e+00 1.525161832e+01 2.040601538e+01 1.94 3.837734818e+00 1.356548816e+01 1.840663438e+01 1.96 2.961436523e+00 1.200674550e+01 1.655251846e+01 1.98 2.147690933e+00 1.056711879e+01 1.483136148e+01 2.00 1.393052921e+00 9.238445770e+00 1.323170111e+01 2.02 6.944602040e-01 8.012742212e+00 1.174302780e+01 2.04 4.904645146e-02 6.882251544e+00 1.035593140e+01 2.06 -5.459623412e-01 5.839456259e+00 9.062230024e+00 2.08 -1.093301248e+00 4.877073331e+00 7.855017154e+00 2.10 -1.595696250e+00 3.988074773e+00 6.728592806e+00 2.12 -2.055885527e+00 3.165761664e+00 5.678287221e+00 2.14 -2.476633896e+00 2.403886958e+00 4.700215075e+00 2.16 -2.860730753e+00 1.696792395e+00 3.791008011e+00 2.18 -3.210958177e+00 1.039514745e+00 2.947568068e+00 2.20 -3.530024435e+00 4.278283824e-01 2.166873465e+00 2.22 -3.820476992e+00 -1.417851283e-01 1.445856626e+00 2.24 -4.084623947e+00 -6.722268125e-01 7.813603427e-01 2.26 -4.324490698e+00 -1.165902640e+00 1.701607798e-01 2.28 -4.541819709e+00 -1.624850498e+00 -3.909715817e-01 2.30 -4.738100955e+00 -2.050851172e+00 -9.052092620e-01 2.32 -4.914612410e+00 -2.445513607e+00 -1.375630768e+00 2.34 -5.072454673e+00 -2.810333477e+00 -1.805216810e+00 2.36 -5.212573814e+00 -3.146729996e+00 -2.196869302e+00 2.38 -5.335774017e+00 -3.456067463e+00 -2.553435032e+00 2.40 -5.442427832e+00 -3.739667599e+00 -2.877718119e+00 2.42 -5.533091032e+00 -3.998816804e+00 -3.172472825e+00 2.44 -5.608583762e+00 -4.234770358e+00 -3.440375903e+00 2.46 -5.669592754e+00 -4.448753978e+00 -3.683983819e+00 2.48 -5.716709596e+00 -4.641962469e+00 -3.905683760e+00 2.50 -5.750468232e+00 -4.815555704e+00 -4.107648293e+00 2.52 -5.771378237e+00 -4.970653464e+00 -4.291802243e+00 2.54 -5.779951671e+00 -5.108331632e+00 -4.459807470e+00 2.56 -5.776512343e+00 -5.229621450e+00 -4.613067301e+00 2.58 -5.760781145e+00 -5.335489995e+00 -4.752748467e+00 2.60 -5.732469896e+00 -5.426641694e+00 -4.879815173e+00 2.62 -5.691412421e+00 -5.504070842e+00 -4.995068472e+00 2.64 -5.637558533e+00 -5.568766974e+00 -5.099184632e+00 2.66 -5.571286952e+00 -5.621767632e+00 -5.192678453e+00 2.68 -5.493433320e+00 -5.663988182e+00 -5.275777892e+00 2.70 -5.404067701e+00 -5.696217011e+00 -5.349187893e+00 2.72 -5.303476851e+00 -5.719136236e+00 -5.413610217e+00 2.74 -5.192239016e+00 -5.733348759e+00 -5.469677606e+00 2.76 -5.071235718e+00 -5.739237607e+00 -5.517972596e+00 2.78 -4.941639804e+00 -5.736837257e+00 -5.559043251e+00 2.80 -4.804876853e+00 -5.726197204e+00 -5.593415884e+00 2.82 -4.662574807e+00 -5.707359256e+00 -5.621603509e+00 2.84 -4.516444772e+00 -5.680339485e+00 -5.644093102e+00 2.86 -4.368158657e+00 -5.645224685e+00 -5.661058923e+00 2.88 -4.219245596e+00 -5.602251790e+00 -5.672429402e+00 2.90 -4.071008945e+00 -5.552575301e+00 -5.678160490e+00 2.92 -3.924474019e+00 -5.496393435e+00 -5.678212936e+00 2.94 -3.780371001e+00 -5.433637546e+00 -5.672520144e+00 2.96 -3.639151458e+00 -5.364357419e+00 -5.660963943e+00 2.98 -3.501032582e+00 -5.288713005e+00 -5.643630962e+00 3.00 -3.366059435e+00 -5.206961065e+00 -5.620738957e+00 3.02 -3.234174189e+00 -5.119449037e+00 -5.591771544e+00 3.04 -3.105281486e+00 -5.026610039e+00 -5.556187883e+00 3.06 -2.979301044e+00 -4.928896334e+00 -5.513465382e+00 3.08 -2.856201798e+00 -4.826742867e+00 -5.463117051e+00 3.10 -2.736015653e+00 -4.720540607e+00 -5.404706196e+00 3.12 -2.618832615e+00 -4.610615907e+00 -5.337857106e+00 3.14 -2.504782033e+00 -4.497218657e+00 -5.262264937e+00 3.16 -2.394006399e+00 -4.380520605e+00 -5.177714932e+00 3.18 -2.286634419e+00 -4.260623932e+00 -5.084070958e+00 3.20 -2.182758963e+00 -4.137578498e+00 -4.981268696e+00 3.22 -2.082423516e+00 -4.011405494e+00 -4.869318559e+00 3.24 -1.985618449e+00 -3.882124933e+00 -4.748311546e+00 3.26 -1.892286338e+00 -3.749784629e+00 -4.618429186e+00 3.28 -1.802334152e+00 -3.614488664e+00 -4.479957799e+00 3.30 -1.715649370e+00 -3.476423603e+00 -4.333306369e+00 3.32 -1.632117064e+00 -3.335880776e+00 -4.179026274e+00 3.34 -1.551635339e+00 -3.193272884e+00 -4.017830143e+00 3.36 -1.474127210e+00 -3.049143113e+00 -3.850606370e+00 3.38 -1.399547743e+00 -2.904165050e+00 -3.678425511e+00 3.40 -1.327886012e+00 -2.759132154e+00 -3.502535057e+00 3.42 -1.259162112e+00 -2.614936370e+00 -3.324340075e+00 3.44 -1.193420090e+00 -2.472536633e+00 -3.145368765e+00 3.46 -1.130717824e+00 -2.332919378e+00 -2.967224045e+00 3.48 -1.071115562e+00 -2.197054374e+00 -2.791524353e+00 3.50 -1.014664407e+00 -2.065850012e+00 -2.619838654e+00 3.52 -9.613961824e-01 -1.940112419e+00 -2.453621754e+00 3.54 -9.113156558e-01 -1.820512255e+00 -2.294156002e+00 3.56 -8.643957301e-01 -1.707561980e+00 -2.142505039e+00 3.58 -8.205757534e-01 -1.601604890e+00 -1.999483284e+00 3.60 -7.797626608e-01 -1.502815738e+00 -1.865643016e+00 3.62 -7.418344261e-01 -1.411211419e+00 -1.741278664e+00 3.64 -7.066451453e-01 -1.326669368e+00 -1.626445970e+00 3.66 -6.740309987e-01 -1.248950867e+00 -1.520992382e+00 3.68 -6.438162775e-01 -1.177726595e+00 -1.424594355e+00 3.70 -6.158193041e-01 -1.112602054e+00 -1.336797350e+00 3.72 -5.898581400e-01 -1.053141141e+00 -1.257054926e+00 3.74 -5.657542320e-01 -9.988867047e-01 -1.184764292e+00 3.76 -5.433357788e-01 -9.493775141e-01 -1.119296678e+00 3.78 -5.224401535e-01 -9.041615135e-01 -1.060021830e+00 3.80 -5.029154472e-01 -8.628055588e-01 -1.006326649e+00 3.82 -4.846212728e-01 -8.249020423e-01 -9.576284458e-01 3.84 -4.674289750e-01 -7.900729033e-01 -9.133835893e-01 3.86 -4.512213879e-01 -7.579715508e-01 -8.730923983e-01 3.88 -4.358922648e-01 -7.282831936e-01 -8.363011266e-01 3.90 -4.213454878e-01 -7.007240186e-01 -8.026018006e-01 3.92 -4.074941404e-01 -6.750395834e-01 -7.716305533e-01 3.94 -3.942595273e-01 -6.510027604e-01 -7.430650088e-01 3.96 -3.815701500e-01 -6.284113863e-01 -7.166210370e-01 3.98 -3.693607357e-01 -6.070858940e-01 -6.920492989e-01 4.00 -3.575713008e-01 -5.868669935e-01 -6.691317163e-01 4.02 -3.461462894e-01 -5.676135550e-01 -6.476780310e-01 4.04 -3.350337990e-01 -5.492007181e-01 -6.275225513e-01 4.06 -3.241849082e-01 -5.315181759e-01 -6.085211423e-01 4.08 -3.135531194e-01 -5.144689268e-01 -5.905485100e-01 4.10 -3.030939324e-01 -4.979687710e-01 -5.734957426e-01 4.12 -2.927645667e-01 -4.819451996e-01 -5.572679673e-01 4.14 -2.825238519e-01 -4.663369819e-01 -5.417826069e-01 4.16 -2.723323099e-01 -4.510941231e-01 -5.269679747e-01 4.18 -2.621524528e-01 -4.361778795e-01 -5.127613251e-01 4.20 -2.519493182e-01 -4.215608062e-01 -4.991076021e-01 4.22 -2.416912575e-01 -4.072266918e-01 -4.859583412e-01 4.24 -2.313509814e-01 -3.931702306e-01 -4.732707024e-01 4.26 -2.209068449e-01 -3.793962940e-01 -4.610066207e-01 4.28 -2.103443247e-01 -3.659186974e-01 -4.491320637e-01 4.30 -1.996576068e-01 -3.527584210e-01 -4.376163808e-01 4.32 -1.888511540e-01 -3.399413293e-01 -4.264317338e-01 4.34 -1.779410836e-01 -3.274955279e-01 -4.155525976e-01 4.36 -1.669561419e-01 -3.154485727e-01 -4.049553208e-01 4.38 -1.559380943e-01 -3.038247946e-01 -3.946177386e-01 4.40 -1.449412332e-01 -2.926429996e-01 -3.845188310e-01 4.42 -1.340309951e-01 -2.819147527e-01 -3.746384201e-01 4.44 -1.232815459e-01 -2.716433701e-01 -3.649569027e-01 4.46 -1.127724705e-01 -2.618236357e-01 -3.554550151e-01 4.48 -1.025847963e-01 -2.524421706e-01 -3.461136284e-01 4.50 -9.279670652e-02 -2.434783201e-01 -3.369135745e-01 4.52 -8.347936720e-02 -2.349053632e-01 -3.278354895e-01 4.54 -7.469331658e-02 -2.266918854e-01 -3.188597646e-01 4.56 -6.648570616e-02 -2.188031612e-01 -3.099663884e-01 4.58 -5.888871731e-02 -2.112024646e-01 -3.011349889e-01 4.60 -5.191909864e-02 -2.038522076e-01 -2.923448509e-01 4.62 -4.557880576e-02 -1.967147726e-01 -2.835750161e-01 4.64 -3.985649082e-02 -1.897533865e-01 -2.748044597e-01 4.66 -3.472963862e-02 -1.829331739e-01 -2.660123556e-01 4.68 -3.016700381e-02 -1.762211853e-01 -2.571784448e-01 4.70 -2.613108645e-02 -1.695868935e-01 -2.482835141e-01 4.72 -2.257986118e-02 -1.630026650e-01 -2.393099949e-01 4.74 -1.947001689e-02 -1.564442173e-01 -2.302426797e-01 4.76 -1.675861504e-02 -1.498910873e-01 -2.210695496e-01 4.78 -1.440354934e-02 -1.433271207e-01 -2.117826889e-01 4.80 -1.236461847e-02 -1.367409697e-01 -2.023792502e-01 4.82 -1.060423985e-02 -1.301266074e-01 -1.928624125e-01 4.84 -9.087868601e-03 -1.234837316e-01 -1.832422595e-01 4.86 -7.784186398e-03 -1.168181219e-01 -1.735364871e-01 4.88 -6.665119491e-03 -1.101417962e-01 -1.637708392e-01 4.90 -5.705736694e-03 -1.034729382e-01 -1.539791755e-01 4.92 -4.884068454e-03 -9.683553562e-02 -1.442030849e-01 4.94 -4.180879214e-03 -9.025869271e-02 -1.344909921e-01 4.96 -3.579416996e-03 -8.377561076e-02 -1.248967503e-01 4.98 -3.065157303e-03 -7.742226919e-02 -1.154777676e-01 5.00 -2.625553070e-03 -7.123587709e-02 -1.062927754e-01 5.02 -2.249798210e-03 -6.525320032e-02 -9.739939686e-02 5.04 -1.928609105e-03 -5.950889177e-02 -8.885170941e-02 5.06 -1.654026150e-03 -5.403395793e-02 -8.069800180e-02 5.08 -1.419235986e-03 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-1.000287150e-04 -4.967948580e-03 -7.430335392e-03 5.46 -8.684595357e-05 -4.323515584e-03 -6.466515698e-03 5.48 -7.544768897e-05 -3.762121262e-03 -5.626873006e-03 5.50 -6.558609849e-05 -3.273440649e-03 -4.895972522e-03 5.52 -5.704861517e-05 -2.848310991e-03 -4.260115305e-03 5.54 -4.965280002e-05 -2.478635316e-03 -3.707191853e-03 5.56 -4.324197475e-05 -2.157284084e-03 -3.226547286e-03 5.58 -3.768150062e-05 -1.877998599e-03 -2.808818983e-03 5.60 -3.285560573e-05 -1.635298639e-03 -2.445811301e-03 5.62 -2.866467853e-05 -1.424395887e-03 -2.130363029e-03 5.64 -2.502295826e-05 -1.241114037e-03 -1.856228031e-03 5.66 -2.185656273e-05 -1.081815946e-03 -1.617966387e-03 5.68 -1.910180301e-05 -9.433378608e-04 -1.410846100e-03 5.70 -1.670374277e-05 -8.229304985e-04 -1.230755010e-03 5.72 -1.461496597e-05 -7.182066093e-04 -1.074122409e-03 5.74 -1.279452196e-05 -6.270945555e-04 -9.378496269e-04 5.76 -1.120702206e-05 -5.477973988e-04 -8.192488553e-04 5.78 -9.821865328e-06 -4.787569756e-04 -7.159894265e-04 5.80 -8.612574745e-06 -4.186224479e-04 -6.260507791e-04 5.82 -7.556227505e-06 -3.662228410e-04 -5.476813868e-04 5.84 -6.632965961e-06 -3.205431156e-04 -4.793629695e-04 5.86 -5.825577502e-06 -2.807033526e-04 -4.197793608e-04 5.88 -5.119133380e-06 -2.459406736e-04 -3.677894655e-04 5.90 -4.500678033e-06 -2.155935551e-04 -3.224037968e-04 5.92 -3.958961720e-06 -1.890882315e-04 -2.827641387e-04 5.94 -3.484210279e-06 -1.659269186e-04 -2.481259293e-04 5.96 -3.067926688e-06 -1.456776185e-04 -2.178430117e-04 5.98 -2.702719975e-06 -1.279652976e-04 -1.913544373e-04 6.00 -2.382157625e-06 -1.124642560e-04 -1.681730510e-04