# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2001--Lee-B-J-Baskes-M-I-Kim-H-Cho-Y-K--Nb # implementation = 2001--Lee-B-J--Nb--LAMMPS--ipr1 # composition = Nb # 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 A1--Cu--fcc A15--beta-W A2--W--bcc A3'--alpha-La--d A3--Mg--hcp A4--C--dc A5--beta-Sn A6--In--bct A7--alpha-As Ah--alpha-Po--sc 0.50 nan nan nan nan nan nan nan nan nan nan 0.52 nan nan nan nan nan nan nan nan nan nan 0.54 nan nan nan nan nan nan nan nan nan nan 0.56 nan nan nan nan nan nan nan nan nan nan 0.58 nan nan nan nan nan nan nan nan nan nan 0.60 nan nan nan nan nan nan nan nan nan nan 0.62 nan nan nan nan nan nan nan nan nan nan 0.64 nan nan nan nan nan nan nan nan nan nan 0.66 nan nan nan nan nan 1.844844078e+02 nan nan nan nan 0.68 nan nan nan nan nan 1.747341903e+02 nan nan nan nan 0.70 nan nan nan nan nan 1.654518715e+02 nan nan 3.147471125e+02 nan 0.72 nan nan nan nan nan 1.566154687e+02 nan nan 2.973766305e+02 nan 0.74 nan nan nan nan nan 1.482040422e+02 nan nan 2.808848545e+02 nan 0.76 nan nan nan nan nan 1.401976454e+02 nan nan 2.652289920e+02 nan 0.78 nan 5.436851171e+02 nan nan nan 1.325772769e+02 4.264227765e+02 nan 2.503682982e+02 3.211055581e+02 0.80 nan 5.160754966e+02 nan nan nan 1.253248357e+02 4.046528190e+02 nan 2.362639799e+02 3.048630626e+02 0.82 nan 4.897497617e+02 nan nan nan 1.184230771e+02 3.839037879e+02 nan 2.228791023e+02 2.893712987e+02 0.84 nan 4.646512660e+02 5.515746948e+02 nan nan 1.118555722e+02 3.641298333e+02 nan 2.101785018e+02 2.745969584e+02 0.86 5.128567369e+02 4.407257745e+02 5.257550207e+02 5.128565159e+02 5.128562949e+02 1.056066679e+02 3.452871147e+02 4.944210605e+02 1.981287010e+02 2.605081837e+02 0.88 4.898546862e+02 4.179213640e+02 5.010429630e+02 4.898543060e+02 4.898539258e+02 9.966144965e+01 3.273337149e+02 4.717160202e+02 1.866978292e+02 2.470745039e+02 0.90 4.677946820e+02 3.961883273e+02 4.773934062e+02 4.677941497e+02 4.677936175e+02 9.400570613e+01 3.102295573e+02 4.499619363e+02 1.758555458e+02 2.342667765e+02 0.92 4.466401694e+02 3.754790813e+02 4.547630090e+02 4.466394917e+02 4.466388141e+02 8.862589489e+01 2.939363256e+02 4.291210861e+02 1.655729674e+02 2.220571295e+02 0.94 4.263559614e+02 3.557480787e+02 4.331101370e+02 4.263551447e+02 4.263543281e+02 8.350911035e+01 2.784173884e+02 4.091571905e+02 1.558225985e+02 2.104189064e+02 0.96 4.069081896e+02 3.369517231e+02 4.123947967e+02 4.069072399e+02 4.069062902e+02 7.864305302e+01 2.636377260e+02 3.900353601e+02 1.465782656e+02 1.993266144e+02 0.98 3.882642563e+02 3.190482882e+02 3.925785733e+02 3.882631791e+02 3.882621018e+02 7.401600039e+01 2.495638606e+02 3.717220433e+02 1.378150539e+02 1.887558733e+02 1.00 3.703927876e+02 3.019978395e+02 3.736245692e+02 3.703915880e+02 3.703903885e+02 6.961677915e+01 2.361637897e+02 3.541849764e+02 1.295092473e+02 1.786833679e+02 1.02 3.532635891e+02 2.857621593e+02 3.554973467e+02 3.532622721e+02 3.532609552e+02 6.543473884e+01 2.234069216e+02 3.373931359e+02 1.216382716e+02 1.690868020e+02 1.04 3.368476027e+02 2.703046757e+02 3.381628710e+02 3.368461730e+02 3.368447433e+02 6.145972679e+01 2.112640149e+02 3.213166914e+02 1.141806397e+02 1.599448538e+02 1.06 3.211168650e+02 2.555903927e+02 3.215884563e+02 3.211153268e+02 3.211137886e+02 5.768206428e+01 1.997071192e+02 3.059269617e+02 1.071159000e+02 1.512371341e+02 1.08 3.060444672e+02 2.415858252e+02 3.057427144e+02 3.060428246e+02 3.060411819e+02 5.409252385e+01 1.887095195e+02 2.911963711e+02 1.004245867e+02 1.429441459e+02 1.10 2.916045162e+02 2.282589352e+02 2.905955035e+02 2.916027729e+02 2.916010297e+02 5.068230780e+01 1.782456821e+02 2.770984083e+02 9.408817319e+01 1.350472456e+02 1.12 2.777720977e+02 2.155790709e+02 2.761178810e+02 2.777702573e+02 2.777684169e+02 4.744302772e+01 1.682912038e+02 2.636075863e+02 8.808902684e+01 1.275286061e+02 1.14 2.645232396e+02 2.035169088e+02 2.622820568e+02 2.645213054e+02 2.645193713e+02 4.436668496e+01 1.588227620e+02 2.506994040e+02 8.241036653e+01 1.203711815e+02 1.16 2.518348782e+02 1.920443979e+02 2.490613484e+02 2.518328533e+02 2.518308285e+02 4.144565215e+01 1.498180683e+02 2.383503090e+02 7.703622193e+01 1.135586731e+02 1.18 2.396848240e+02 1.811347059e+02 2.364301384e+02 2.396827113e+02 2.396805987e+02 3.867265560e+01 1.412558232e+02 2.265376621e+02 7.195139484e+01 1.070754971e+02 1.20 2.280517297e+02 1.707621680e+02 2.243638329e+02 2.280495319e+02 2.280473342e+02 3.604075853e+01 1.331156728e+02 2.152397025e+02 6.714142227e+01 1.009067535e+02 1.22 2.169150593e+02 1.609022375e+02 2.128388220e+02 2.169127791e+02 2.169104989e+02 3.354334518e+01 1.253781680e+02 2.044355150e+02 6.259254133e+01 9.503819678e+01 1.24 2.062550582e+02 1.515314389e+02 2.018324414e+02 2.062526978e+02 2.062503375e+02 3.117410562e+01 1.180247249e+02 1.941049983e+02 5.829165581e+01 8.945620694e+01 1.26 1.960527240e+02 1.426273224e+02 1.913229357e+02 1.960502857e+02 1.960478474e+02 2.892702139e+01 1.110375867e+02 1.842288336e+02 5.422630428e+01 8.414776288e+01 1.28 1.862897790e+02 1.341684206e+02 1.812894229e+02 1.862872649e+02 1.862847507e+02 2.679635176e+01 1.043997883e+02 1.747884556e+02 5.038462980e+01 7.910041618e+01 1.30 1.769486432e+02 1.261342068e+02 1.717118607e+02 1.769460551e+02 1.769434671e+02 2.477662070e+01 9.809512098e+01 1.657660238e+02 4.675535097e+01 7.430226630e+01 1.32 1.680124085e+02 1.185050552e+02 1.625710133e+02 1.680097484e+02 1.680070883e+02 2.286260451e+01 9.210809982e+01 1.571443951e+02 4.332773447e+01 6.974193680e+01 1.34 1.594648141e+02 1.112622027e+02 1.538484204e+02 1.594620836e+02 1.594593531e+02 2.104931996e+01 8.642393190e+01 1.489070973e+02 4.009156880e+01 6.540855259e+01 1.36 1.512902220e+02 1.043877122e+02 1.455263665e+02 1.512874226e+02 1.512846233e+02 1.933201310e+01 8.102848605e+01 1.410383037e+02 3.703713932e+01 6.129171814e+01 1.38 1.434735941e+02 9.786443739e+01 1.375878521e+02 1.434707274e+02 1.434678607e+02 1.770614855e+01 7.590826388e+01 1.335228085e+02 3.415520451e+01 5.738149669e+01 1.40 1.360004700e+02 9.167598926e+01 1.300165654e+02 1.359975374e+02 1.359946048e+02 1.616739934e+01 7.105037207e+01 1.263460035e+02 3.143697329e+01 5.366839031e+01 1.42 1.288569456e+02 8.580670365e+01 1.227968555e+02 1.288539483e+02 1.288509510e+02 1.471163723e+01 6.644249586e+01 1.194938551e+02 2.887408348e+01 5.014332081e+01 1.44 1.220296519e+02 8.024161039e+01 1.159137065e+02 1.220265912e+02 1.220235305e+02 1.333492345e+01 6.207287369e+01 1.129528824e+02 2.645858124e+01 4.679761153e+01 1.46 1.155057358e+02 7.496640363e+01 1.093527126e+02 1.155026127e+02 1.154994897e+02 1.203349999e+01 5.793027291e+01 1.067101365e+02 2.418290151e+01 4.362296988e+01 1.48 1.092728401e+02 6.996741343e+01 1.031000540e+02 1.092696558e+02 1.092664715e+02 1.080378119e+01 5.400396659e+01 1.007531798e+02 2.203984939e+01 4.061147064e+01 1.50 1.033190856e+02 6.523157853e+01 9.714247405e+01 1.033158410e+02 1.033125964e+02 9.642345811e+00 5.028371131e+01 9.507006663e+01 2.002258239e+01 3.775553996e+01 1.52 9.763305296e+01 6.074642024e+01 9.146725682e+01 9.762974904e+01 9.762644514e+01 8.545929433e+00 4.675972589e+01 8.964932463e+01 1.812459354e+01 3.504794011e+01 1.54 9.220376552e+01 5.650001741e+01 8.606220602e+01 9.220040315e+01 9.219704080e+01 7.511417264e+00 4.342267106e+01 8.447993644e+01 1.633969527e+01 3.248175484e+01 1.56 8.702067280e+01 5.248098254e+01 8.091562440e+01 8.701725281e+01 8.701383283e+01 6.535837254e+00 4.026363005e+01 7.955132235e+01 1.466200411e+01 3.005037538e+01 1.58 8.207363450e+01 4.867843872e+01 7.601629405e+01 8.207015767e+01 8.206668085e+01 5.616353543e+00 3.727408994e+01 7.485332357e+01 1.308592608e+01 2.774748705e+01 1.60 7.735290513e+01 4.508199769e+01 7.135345748e+01 7.734937221e+01 7.734583929e+01 4.750260235e+00 3.444592390e+01 7.037618603e+01 1.160614278e+01 2.556705646e+01 1.62 7.284911920e+01 4.168173874e+01 6.691679939e+01 7.284553088e+01 7.284194256e+01 3.934975438e+00 3.177137414e+01 6.611054488e+01 1.021759815e+01 2.350331925e+01 1.64 6.855327691e+01 3.846818853e+01 6.269642914e+01 6.854963386e+01 6.854599082e+01 3.168035617e+00 2.924303565e+01 6.204740954e+01 8.915485875e+00 2.155076838e+01 1.66 6.445673045e+01 3.543230171e+01 5.868286391e+01 6.445303331e+01 6.444933619e+01 2.447090187e+00 2.685384062e+01 5.817814927e+01 7.695237357e+00 1.970414286e+01 1.68 6.055117070e+01 3.256544239e+01 5.486701254e+01 6.054742009e+01 6.054366949e+01 1.769896374e+00 2.459704351e+01 5.449447932e+01 6.552510283e+00 1.795841708e+01 1.70 5.682861450e+01 2.985936640e+01 5.124015995e+01 5.682481101e+01 5.682100753e+01 1.134314369e+00 2.246620684e+01 5.098844764e+01 5.483177732e+00 1.630879048e+01 1.72 5.328139234e+01 2.730620429e+01 4.779395214e+01 5.327753655e+01 5.327368077e+01 5.383061896e-01 2.045518752e+01 4.765242197e+01 4.483317799e+00 1.475067779e+01 1.74 4.990213654e+01 2.489844498e+01 4.452038189e+01 4.989822900e+01 4.989432147e+01 -2.007760082e-02 1.855812383e+01 4.447907754e+01 3.549203718e+00 1.327969956e+01 1.76 4.668376979e+01 2.262892022e+01 4.141177484e+01 4.667981105e+01 4.667585232e+01 -5.427020212e-01 1.676942297e+01 4.146138515e+01 2.677294491e+00 1.189167322e+01 1.78 4.361949421e+01 2.049078960e+01 3.846077627e+01 4.361548482e+01 4.361147543e+01 -1.031335542e+00 1.508374907e+01 3.859259975e+01 1.864225813e+00 1.058260443e+01 1.80 4.070278077e+01 1.847752623e+01 3.566033830e+01 4.069872125e+01 4.069466174e+01 -1.487669341e+00 1.349601186e+01 3.586624940e+01 1.106801600e+00 9.348678885e+00 1.82 3.792735904e+01 1.658290309e+01 3.300370762e+01 3.792324992e+01 3.791914082e+01 -1.913316648e+00 1.200135567e+01 3.327612471e+01 4.019859513e-01 8.186254410e+00 1.84 3.528720742e+01 1.480097980e+01 3.048441366e+01 3.528304925e+01 3.527889108e+01 -2.309816268e+00 1.059514909e+01 3.081626858e+01 -2.531046996e-01 7.091853441e+00 1.86 3.277654369e+01 1.312609015e+01 2.809625729e+01 3.277233698e+01 3.276813028e+01 -2.678635919e+00 9.272974904e+00 2.848096645e+01 -8.612089201e-01 6.062155803e+00 1.88 3.038981583e+01 1.155282998e+01 2.583329990e+01 3.038556113e+01 3.038130645e+01 -3.021175435e+00 8.030620602e+00 2.626473684e+01 -1.424927300e+00 5.093991818e+00 1.90 2.812169336e+01 1.007604569e+01 2.368985294e+01 2.811739122e+01 2.811308909e+01 -3.338769806e+00 6.864069226e+00 2.416232224e+01 -1.946729134e+00 4.184335701e+00 1.92 2.596705878e+01 8.690823201e+00 2.166046781e+01 2.596270977e+01 2.595836076e+01 -3.632692086e+00 5.769490648e+00 2.216868038e+01 -2.428958788e+00 3.330299251e+00 1.94 2.392099953e+01 7.392477378e+00 1.973992625e+01 2.391660421e+01 2.391220891e+01 -3.904156169e+00 4.743233213e+00 2.027897583e+01 -2.873841757e+00 2.529125803e+00 1.96 2.197880009e+01 6.176541909e+00 1.792323099e+01 2.197435907e+01 2.196991805e+01 -4.154319434e+00 3.781815771e+00 1.848857190e+01 -3.283490438e+00 1.778184454e+00 1.98 2.013593448e+01 5.038759623e+00 1.620559686e+01 2.013144835e+01 2.012696223e+01 -4.384285265e+00 2.881920033e+00 1.679302283e+01 -3.659909630e+00 1.074964530e+00 2.00 1.838805895e+01 3.975073218e+00 1.458244217e+01 1.838352836e+01 1.837899777e+01 -4.595105467e+00 2.040383280e+00 1.518806636e+01 -4.005001758e+00 4.170703003e-01 2.02 1.673100505e+01 2.981616383e+00 1.304938050e+01 1.672643065e+01 1.672185626e+01 -4.787782561e+00 1.254191373e+00 1.366961645e+01 -4.320571631e+00 -1.977840865e-01 2.04 1.516077285e+01 2.054705302e+00 1.160221276e+01 1.515615533e+01 1.515153781e+01 -4.963270987e+00 5.204720896e-01 1.223375640e+01 -4.608152621e+00 -7.717794420e-01 2.06 1.367352445e+01 1.190830520e+00 1.023691956e+01 1.366886452e+01 1.366420461e+01 -5.119907899e+00 -1.635112642e-01 1.087673216e+01 -4.868409136e+00 -1.306996172e+00 2.08 1.226557779e+01 3.866491637e-01 8.949653959e+00 1.226087620e+01 1.225617463e+01 -5.241353277e+00 -8.003659508e-01 9.594945927e+00 -5.104880599e+00 -1.805418703e+00 2.10 1.093340058e+01 -3.610224410e-01 7.736734359e+00 1.092865812e+01 1.092391567e+01 -5.359849389e+00 -1.392575636e+00 8.384949956e+00 -5.317975456e+00 -2.268939727e+00 2.12 9.673604568e+00 -1.055214021e+00 6.594637820e+00 9.668822050e+00 9.664039540e+00 -5.474403465e+00 -1.942505966e+00 7.243440647e+00 -5.508709057e+00 -2.699364251e+00 2.14 8.482939919e+00 -1.698811149e+00 5.519993554e+00 8.478118204e+00 8.473296496e+00 -5.576165130e+00 -2.452409898e+00 6.167252825e+00 -5.680089443e+00 -3.098413477e+00 2.16 7.358289893e+00 -2.294569167e+00 4.509576698e+00 7.353429884e+00 7.348569881e+00 -5.665818535e+00 -2.924432796e+00 5.153354253e+00 -5.832251997e+00 -3.467728519e+00 2.18 6.296665672e+00 -2.845099213e+00 3.560302343e+00 6.291768315e+00 6.286870964e+00 -5.744016035e+00 -3.360617310e+00 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