# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2002--Albe-K-Nordlund-K-Nord-J-Kuronen-A--Ga-As # implementation = 2002--Albe-K--Ga-As--LAMMPS--ipr1 # composition = As3Ga # 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 3.781313560e+03 nan nan 0.74 3.425028653e+03 nan nan 0.76 3.110270658e+03 nan nan 0.78 2.827960689e+03 3.870718085e+03 nan 0.80 2.580321243e+03 3.538401803e+03 nan 0.82 2.355365570e+03 3.240420309e+03 3.591835751e+03 0.84 2.150136797e+03 2.974503027e+03 3.285384707e+03 0.86 1.966160129e+03 2.736301045e+03 3.007064812e+03 0.88 1.797309810e+03 2.512058573e+03 2.756972815e+03 0.90 1.642333503e+03 2.299031282e+03 2.534448449e+03 0.92 1.503536888e+03 2.103363582e+03 2.338465880e+03 0.94 1.378212369e+03 1.931520377e+03 2.160864838e+03 0.96 1.266822852e+03 1.786831320e+03 1.999518899e+03 0.98 1.168675599e+03 1.660399643e+03 1.854251303e+03 1.00 1.081277079e+03 1.539007689e+03 1.719710198e+03 1.02 9.995782777e+02 1.422097504e+03 1.592730783e+03 1.04 9.242032229e+02 1.312243016e+03 1.473956860e+03 1.06 8.557323402e+02 1.212123591e+03 1.365376432e+03 1.08 7.942849569e+02 1.123569219e+03 1.268440616e+03 1.10 7.360233216e+02 1.047121055e+03 1.183379132e+03 1.12 6.784562708e+02 9.788888845e+02 1.102615174e+03 1.14 6.227330830e+02 9.144045937e+02 1.022515608e+03 1.16 5.702138783e+02 8.515862270e+02 9.445879534e+02 1.18 5.222785020e+02 7.891047067e+02 8.704237144e+02 1.20 4.801597799e+02 7.278365473e+02 8.020924517e+02 1.22 4.448169081e+02 6.692313491e+02 7.415652848e+02 1.24 4.151600060e+02 6.146130499e+02 6.902497888e+02 1.26 3.877747783e+02 5.655998287e+02 6.472772829e+02 1.28 3.616979233e+02 5.237349585e+02 6.077127676e+02 1.30 3.353244049e+02 4.880822454e+02 5.707292194e+02 1.32 3.090708543e+02 4.573034733e+02 5.346160401e+02 1.34 2.834724173e+02 4.291166244e+02 4.988046522e+02 1.36 2.591003781e+02 4.028852400e+02 4.638296773e+02 1.38 2.365368504e+02 3.783890305e+02 4.302155405e+02 1.40 2.163587391e+02 3.555023466e+02 3.985063397e+02 1.42 1.990202890e+02 3.340710745e+02 3.690892411e+02 1.44 1.847525117e+02 3.139884581e+02 3.423843543e+02 1.46 1.724212043e+02 2.950737914e+02 3.188676470e+02 1.48 1.608698037e+02 2.768637121e+02 2.987259343e+02 1.50 1.501111379e+02 2.593571442e+02 2.805129014e+02 1.52 1.401376909e+02 2.425844216e+02 2.635738211e+02 1.54 1.309192655e+02 2.256117147e+02 2.478864904e+02 1.56 1.223881042e+02 2.083769548e+02 2.333567802e+02 1.58 1.144287371e+02 1.912479644e+02 2.197462891e+02 1.60 1.069925981e+02 1.745870021e+02 2.069698360e+02 1.62 9.992960828e+01 1.587499090e+02 1.949464185e+02 1.64 9.270776248e+01 1.441131059e+02 1.835959386e+02 1.66 8.537682827e+01 1.310242862e+02 1.728881606e+02 1.68 7.811799226e+01 1.194865995e+02 1.627498509e+02 1.70 7.110919338e+01 1.097225772e+02 1.523964398e+02 1.72 6.450171579e+01 1.019223191e+02 1.417181165e+02 1.74 5.838791776e+01 9.544526689e+01 1.309289422e+02 1.76 5.286489051e+01 8.926515946e+01 1.202375350e+02 1.78 4.800059010e+01 8.340568537e+01 1.098414491e+02 1.80 4.382524405e+01 7.790670954e+01 9.992815427e+01 1.82 4.032107466e+01 7.278933071e+01 9.067441975e+01 1.84 3.741172355e+01 6.805567792e+01 8.226342342e+01 1.86 3.476035785e+01 6.369192487e+01 7.487795956e+01 1.88 3.229919593e+01 5.966986463e+01 6.865701099e+01 1.90 3.001622571e+01 5.594661137e+01 6.370059765e+01 1.92 2.789823484e+01 5.245973788e+01 5.972227859e+01 1.94 2.592661863e+01 4.917535038e+01 5.599742777e+01 1.96 2.408025346e+01 4.608199454e+01 5.248800963e+01 1.98 2.235121854e+01 4.315487253e+01 4.918901373e+01 2.00 2.073243793e+01 4.037674146e+01 4.607361431e+01 2.02 1.921725136e+01 3.774631164e+01 4.312098375e+01 2.04 1.779939003e+01 3.526205556e+01 4.033330324e+01 2.06 1.647295400e+01 3.292181027e+01 3.771201756e+01 2.08 1.523239070e+01 3.072252158e+01 3.525655281e+01 2.10 1.407247483e+01 2.866012235e+01 3.295590995e+01 2.12 1.298828932e+01 2.672952904e+01 3.080123356e+01 2.14 1.197520746e+01 2.492473527e+01 2.878777509e+01 2.16 1.102887597e+01 2.323897796e+01 2.690839888e+01 2.18 1.014519919e+01 2.166495024e+01 2.515443452e+01 2.20 9.320324005e+00 2.019503699e+01 2.351549253e+01 2.22 8.550625806e+00 1.881905625e+01 2.197347964e+01 2.24 7.832695149e+00 1.752523691e+01 2.052055340e+01 2.26 7.163325238e+00 1.630874653e+01 1.915184321e+01 2.28 6.539500115e+00 1.516524108e+01 1.785906433e+01 2.30 5.958383530e+00 1.409061308e+01 1.663334249e+01 2.32 5.417308460e+00 1.308097900e+01 1.547313001e+01 2.34 4.913767232e+00 1.213266717e+01 1.437701424e+01 2.36 4.445402211e+00 1.124220642e+01 1.334350774e+01 2.38 4.009997036e+00 1.040631536e+01 1.237096963e+01 2.40 3.605468351e+00 9.621892159e+00 1.145755554e+01 2.42 3.229858026e+00 8.886004884e+00 1.060119399e+01 2.44 2.881325817e+00 8.195882388e+00 9.799586189e+00 2.46 2.558142457e+00 7.548905656e+00 9.050225360e+00 2.48 2.258683145e+00 6.942599615e+00 8.350431487e+00 2.50 1.981421414e+00 6.374625389e+00 7.697397203e+00 2.52 1.724923345e+00 5.837920087e+00 7.088240444e+00 2.54 1.487842133e+00 5.293832391e+00 6.520059778e+00 2.56 1.268912947e+00 4.740744259e+00 5.989245592e+00 2.58 1.066948106e+00 4.186668039e+00 5.491425789e+00 2.60 8.780414130e-01 3.639585565e+00 5.024641988e+00 2.62 6.623456405e-01 3.107119050e+00 4.587155771e+00 2.64 4.135415578e-01 2.596257749e+00 4.177321119e+00 2.66 1.455787202e-01 2.113146376e+00 3.793579639e+00 2.68 -1.262572717e-01 1.662936775e+00 3.434456036e+00 2.70 -3.875801417e-01 1.249699832e+00 3.098553812e+00 2.72 -6.258046205e-01 8.763905850e-01 2.784551185e+00 2.74 -8.309047357e-01 5.448564782e-01 2.491197218e+00 2.76 -9.959895479e-01 2.558775205e-01 2.217308142e+00 2.78 -1.117657778e+00 8.791938026e-03 1.961763867e+00 2.80 -1.196093245e+00 -2.006045722e-01 1.723504672e+00 2.82 -1.234867057e+00 -3.740506237e-01 1.501528062e+00 2.84 -1.240425593e+00 -5.133299519e-01 1.294885787e+00 2.86 -1.221271596e+00 -6.210730587e-01 1.102681013e+00 2.88 -1.186892786e+00 -7.123626615e-01 9.240656386e-01 2.90 -1.146554077e+00 -7.960759864e-01 7.582377424e-01 2.92 -1.108129833e+00 -8.805311521e-01 5.821891026e-01 2.94 -1.077181860e+00 -9.707069824e-01 3.789624848e-01 2.96 -1.053066828e+00 -1.061550560e+00 1.573113855e-01 2.98 -1.030026650e+00 -1.148302801e+00 -7.376806282e-02 3.00 -1.007239984e+00 -1.226789478e+00 -3.054624344e-01 3.02 -9.847221253e-01 -1.293659165e+00 -5.295365503e-01 3.04 -9.624866969e-01 -1.346550640e+00 -7.386862975e-01 3.06 -9.405457641e-01 -1.384177574e+00 -9.268374373e-01 3.08 -9.189099427e-01 -1.406325783e+00 -1.089380126e+00 3.10 -8.975885007e-01 -1.413767180e+00 -1.223329262e+00 3.12 -8.765894533e-01 -1.408102323e+00 -1.327400748e+00 3.14 -8.559196530e-01 -1.391278790e+00 -1.401993771e+00 3.16 -8.355848728e-01 -1.365175479e+00 -1.449070332e+00 3.18 -8.155898861e-01 -1.332047211e+00 -1.471926756e+00 3.20 -7.959385401e-01 -1.294406913e+00 -1.474859592e+00 3.22 -7.730234855e-01 -1.251269187e+00 -1.459370075e+00 3.24 -7.435948509e-01 -1.201081945e+00 -1.426306918e+00 3.26 -7.082244251e-01 -1.145692698e+00 -1.379634031e+00 3.28 -6.675283025e-01 -1.086968784e+00 -1.323154133e+00 3.30 -6.221699383e-01 -1.026673838e+00 -1.260178705e+00 3.32 -5.728647270e-01 -9.631595289e-01 -1.191280332e+00 3.34 -5.203856017e-01 -8.939860677e-01 -1.115296902e+00 3.36 -4.655690637e-01 -8.196728705e-01 -1.032528559e+00 3.38 -4.093208037e-01 -7.408441950e-01 -9.433878967e-01 3.40 -3.526196596e-01 -6.582575659e-01 -8.484269236e-01 3.42 -2.965180347e-01 -5.728418669e-01 -7.483773201e-01 3.44 -2.421361403e-01 -4.857498108e-01 -6.442162065e-01 3.46 -1.906466685e-01 -3.984298711e-01 -5.372764168e-01 3.48 -1.432460855e-01 -3.127210648e-01 -4.294276261e-01 3.50 -1.011091856e-01 -2.309667196e-01 -3.233547625e-01 3.52 -6.532550365e-02 -1.561227993e-01 -2.229287773e-01 3.54 -3.682010389e-02 -9.178882146e-02 -1.335501336e-01 3.56 -1.626688675e-02 -4.200590051e-02 -6.209584712e-02 3.58 -4.008442106e-03 -1.059962395e-02 -1.583872333e-02 3.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.62 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.64 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 3.80 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0.000000000e+00 4.18 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.20 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.22 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.24 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.26 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.28 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.30 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.54 0.000000000e+00 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