# Diatom energy (eV) vs. radial distance (Angstrom). # potential = 2013--Ravelo-R-Germann-T-C-Guerrero-O-et-al--Ta-2 # implementation = 2013--Ravelo-R--Ta-2--LAMMPS--ipr1 # NOTE: These values only provide a look at the purely pair interaction # of the potential and therefore exclude multi-body interactions. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r Ta Ta 0.02 -8.795800256e+02 0.04 -8.068353843e+02 0.06 -7.391708389e+02 0.08 -6.762690268e+02 0.10 -6.178308625e+02 0.12 -5.635745490e+02 0.14 -5.132346408e+02 0.16 -4.665611547e+02 0.18 -4.233187267e+02 0.20 -3.832858122e+02 0.22 -3.462539283e+02 0.24 -3.120269351e+02 0.26 -2.804203538e+02 0.28 -2.512607220e+02 0.30 -2.243849808e+02 0.32 -1.996398960e+02 0.34 -1.768815080e+02 0.36 -1.559746120e+02 0.38 -1.367922650e+02 0.40 -1.192153192e+02 0.42 -1.031319800e+02 0.44 -8.843738792e+01 0.46 -7.503322234e+01 0.48 -6.282732697e+01 0.50 -5.173335513e+01 0.52 -4.167043428e+01 0.54 -3.256284861e+01 0.56 -2.433973891e+01 0.58 -1.693481869e+01 0.60 -1.028610577e+01 0.62 -4.335668626e+00 0.64 9.706134099e-01 0.66 5.683276758e+00 0.68 9.849487657e+00 0.70 1.351324439e+01 0.72 1.671556825e+01 0.74 1.949468391e+01 0.76 2.188618965e+01 0.78 2.392321802e+01 0.80 2.563658752e+01 0.82 2.705494561e+01 0.84 2.820490369e+01 0.86 2.911116430e+01 0.88 2.979664114e+01 0.90 3.028257215e+01 0.92 3.058862603e+01 0.94 3.073300270e+01 0.96 3.073252783e+01 0.98 3.060274188e+01 1.00 3.035798398e+01 1.02 3.001147074e+01 1.04 2.957537057e+01 1.06 2.906087344e+01 1.08 2.847825655e+01 1.10 2.783694605e+01 1.12 2.714557505e+01 1.14 2.641203808e+01 1.16 2.564354229e+01 1.18 2.484665547e+01 1.20 2.402735117e+01 1.22 2.319105094e+01 1.24 2.234266405e+01 1.26 2.148662466e+01 1.28 2.062692666e+01 1.30 1.976715631e+01 1.32 1.891052283e+01 1.34 1.805988697e+01 1.36 1.721778779e+01 1.38 1.638646764e+01 1.40 1.556789563e+01 1.42 1.476378937e+01 1.44 1.397563544e+01 1.46 1.320470839e+01 1.48 1.245208849e+01 1.50 1.171867827e+01 1.52 1.100521793e+01 1.54 1.031229969e+01 1.56 9.640381148e+00 1.58 8.989797647e+00 1.60 8.360773834e+00 1.62 7.753434342e+00 1.64 7.167813715e+00 1.66 6.603865605e+00 1.68 6.061471286e+00 1.70 5.540447525e+00 1.72 5.040553866e+00 1.74 4.561499346e+00 1.76 4.102948691e+00 1.78 3.664528024e+00 1.80 3.245830114e+00 1.82 2.846419197e+00 1.84 2.465835402e+00 1.86 2.103598806e+00 1.88 1.759213130e+00 1.90 1.432169134e+00 1.92 1.121947688e+00 1.94 8.280225763e-01 1.96 5.498630415e-01 1.98 2.869360785e-01 2.00 3.870851077e-02 2.02 -1.953511455e-01 2.04 -4.157710089e-01 2.06 -6.230743410e-01 2.08 -8.177782188e-01 2.10 -1.000392362e+00 2.12 -1.171418099e+00 2.14 -1.331347468e+00 2.16 -1.480662436e+00 2.18 -1.619834224e+00 2.20 -1.749322744e+00 2.22 -1.869576118e+00 2.24 -1.981030295e+00 2.26 -2.084108731e+00 2.28 -2.179222156e+00 2.30 -2.266768396e+00 2.32 -2.347132257e+00 2.34 -2.420685462e+00 2.36 -2.487786640e+00 2.38 -2.548781356e+00 2.40 -2.604002177e+00 2.42 -2.653768782e+00 2.44 -2.698388096e+00 2.46 -2.738154457e+00 2.48 -2.773349805e+00 2.50 -2.804243892e+00 2.52 -2.831094516e+00 2.54 -2.854147766e+00 2.56 -2.873638287e+00 2.58 -2.889789551e+00 2.60 -2.902814144e+00 2.62 -2.912914056e+00 2.64 -2.920280982e+00 2.66 -2.925096629e+00 2.68 -2.927533020e+00 2.70 -2.927752810e+00 2.72 -2.925909597e+00 2.74 -2.922148236e+00 2.76 -2.916605153e+00 2.78 -2.909408655e+00 2.80 -2.900679245e+00 2.82 -2.890529926e+00 2.84 -2.879066508e+00 2.86 -2.866387909e+00 2.88 -2.852586367e+00 2.90 -2.837743677e+00 2.92 -2.821922601e+00 2.94 -2.805167372e+00 2.96 -2.787506920e+00 2.98 -2.768957770e+00 3.00 -2.749526617e+00 3.02 -2.729212607e+00 3.04 -2.708009340e+00 3.06 -2.685906622e+00 3.08 -2.662891985e+00 3.10 -2.638952003e+00 3.12 -2.614073399e+00 3.14 -2.588243996e+00 3.16 -2.561453489e+00 3.18 -2.533694092e+00 3.20 -2.504961037e+00 3.22 -2.475252973e+00 3.24 -2.444572249e+00 3.26 -2.412925113e+00 3.28 -2.380321823e+00 3.30 -2.346776694e+00 3.32 -2.312308077e+00 3.34 -2.276938285e+00 3.36 -2.240693480e+00 3.38 -2.203603514e+00 3.40 -2.165701740e+00 3.42 -2.127024801e+00 3.44 -2.087612395e+00 3.46 -2.047507028e+00 3.48 -2.006753750e+00 3.50 -1.965399891e+00 3.52 -1.923494793e+00 3.54 -1.881089532e+00 3.56 -1.838236657e+00 3.58 -1.794989924e+00 3.60 -1.751404035e+00 3.62 -1.707534396e+00 3.64 -1.663436870e+00 3.66 -1.619167556e+00 3.68 -1.574782565e+00 3.70 -1.530337821e+00 3.72 -1.485888864e+00 3.74 -1.441490674e+00 3.76 -1.397197502e+00 3.78 -1.353062714e+00 3.80 -1.309138656e+00 3.82 -1.265476518e+00 3.84 -1.222126219e+00 3.86 -1.179136303e+00 3.88 -1.136553840e+00 3.90 -1.094424341e+00 3.92 -1.052791683e+00 3.94 -1.011698044e+00 3.96 -9.711838395e-01 3.98 -9.312876748e-01 4.00 -8.920462992e-01 4.02 -8.534945674e-01 4.04 -8.156654078e-01 4.06 -7.785897942e-01 4.08 -7.422967234e-01 4.10 -7.068131962e-01 4.12 -6.721642018e-01 4.14 -6.383727063e-01 4.16 -6.054596434e-01 4.18 -5.734439080e-01 4.20 -5.423423523e-01 4.22 -5.121697837e-01 4.24 -4.829389656e-01 4.26 -4.546606195e-01 4.28 -4.273434293e-01 4.30 -4.009940479e-01 4.32 -3.756171062e-01 4.34 -3.512152233e-01 4.36 -3.277890202e-01 4.38 -3.053371359e-01 4.40 -2.838562461e-01 4.42 -2.633410853e-01 4.44 -2.437844721e-01 4.46 -2.251773391e-01 4.48 -2.075087661e-01 4.50 -1.907660186e-01 4.52 -1.749345906e-01 4.54 -1.599982532e-01 4.56 -1.459391090e-01 4.58 -1.327376527e-01 4.60 -1.203728376e-01 4.62 -1.088221497e-01 4.64 -9.806168839e-02 4.66 -8.806624120e-02 4.68 -7.880935801e-02 4.70 -7.026359343e-02 4.72 -6.240050595e-02 4.74 -5.519076385e-02 4.76 -4.860427549e-02 4.78 -4.261029732e-02 4.80 -3.717749050e-02 4.82 -3.227435818e-02 4.84 -2.786923670e-02 4.86 -2.393042072e-02 4.88 -2.042632199e-02 4.90 -1.732562856e-02 4.92 -1.459746309e-02 4.94 -1.221153869e-02 4.96 -1.013831079e-02 4.98 -8.349123105e-03 5.00 -6.816346020e-03 5.02 -5.513505506e-03 5.04 -4.415400657e-03 5.06 -3.498208064e-03 5.08 -2.739571263e-03 5.10 -2.118673677e-03 5.12 -1.616293633e-03 5.14 -1.214840329e-03 5.16 -8.983698912e-04 5.18 -6.525810734e-04 5.20 -4.647905208e-04 5.22 -3.238880135e-04 5.24 -2.202725702e-04 5.26 -1.457708176e-04 5.28 -9.353953785e-05 5.30 -5.795481199e-05 5.32 -3.449063763e-05 5.34 -1.959030008e-05 5.36 -1.053408781e-05 5.38 -5.307132887e-06 5.40 -2.471198780e-06 5.42 -1.044102018e-06 5.44 -3.901170138e-07 5.46 -1.241594015e-07 5.48 -3.176928109e-08 5.50 -5.937533784e-09 5.52 -6.786664803e-10 5.54 -3.211963198e-11 5.56 -1.922797979e-13 5.58 -3.925479146e-23 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00 6.02 0.000000000e+00 6.04 0.000000000e+00 6.06 0.000000000e+00 6.08 0.000000000e+00 6.10 0.000000000e+00 6.12 0.000000000e+00 6.14 0.000000000e+00 6.16 0.000000000e+00 6.18 0.000000000e+00 6.20 0.000000000e+00 6.22 0.000000000e+00 6.24 0.000000000e+00 6.26 0.000000000e+00 6.28 0.000000000e+00 6.30 0.000000000e+00 6.32 0.000000000e+00 6.34 0.000000000e+00 6.36 0.000000000e+00 6.38 0.000000000e+00 6.40 0.000000000e+00 6.42 0.000000000e+00 6.44 0.000000000e+00 6.46 0.000000000e+00 6.48 0.000000000e+00 6.50 0.000000000e+00 6.52 0.000000000e+00 6.54 0.000000000e+00 6.56 0.000000000e+00 6.58 0.000000000e+00 6.60 0.000000000e+00 6.62 0.000000000e+00 6.64 0.000000000e+00 6.66 0.000000000e+00 6.68 0.000000000e+00 6.70 0.000000000e+00 6.72 0.000000000e+00 6.74 0.000000000e+00 6.76 0.000000000e+00 6.78 0.000000000e+00 6.80 0.000000000e+00 6.82 0.000000000e+00 6.84 0.000000000e+00 6.86 0.000000000e+00 6.88 0.000000000e+00 6.90 0.000000000e+00 6.92 0.000000000e+00 6.94 0.000000000e+00 6.96 0.000000000e+00 6.98 0.000000000e+00 7.00 0.000000000e+00 7.02 0.000000000e+00 7.04 0.000000000e+00 7.06 0.000000000e+00 7.08 0.000000000e+00 7.10 0.000000000e+00 7.12 0.000000000e+00 7.14 0.000000000e+00 7.16 0.000000000e+00 7.18 0.000000000e+00 7.20 0.000000000e+00 7.22 0.000000000e+00 7.24 0.000000000e+00 7.26 0.000000000e+00 7.28 0.000000000e+00 7.30 0.000000000e+00 7.32 0.000000000e+00 7.34 0.000000000e+00 7.36 0.000000000e+00 7.38 0.000000000e+00 7.40 0.000000000e+00 7.42 0.000000000e+00 7.44 0.000000000e+00 7.46 0.000000000e+00 7.48 0.000000000e+00 7.50 0.000000000e+00 7.52 0.000000000e+00 7.54 0.000000000e+00 7.56 0.000000000e+00 7.58 0.000000000e+00 7.60 0.000000000e+00 7.62 0.000000000e+00 7.64 0.000000000e+00 7.66 0.000000000e+00 7.68 0.000000000e+00 7.70 0.000000000e+00 7.72 0.000000000e+00 7.74 0.000000000e+00 7.76 0.000000000e+00 7.78 0.000000000e+00 7.80 0.000000000e+00 7.82 0.000000000e+00 7.84 0.000000000e+00 7.86 0.000000000e+00 7.88 0.000000000e+00 7.90 0.000000000e+00 7.92 0.000000000e+00 7.94 0.000000000e+00 7.96 0.000000000e+00 7.98 0.000000000e+00 8.00 0.000000000e+00 8.02 0.000000000e+00 8.04 0.000000000e+00 8.06 0.000000000e+00 8.08 0.000000000e+00 8.10 0.000000000e+00 8.12 0.000000000e+00 8.14 0.000000000e+00 8.16 0.000000000e+00 8.18 0.000000000e+00 8.20 0.000000000e+00 8.22 0.000000000e+00 8.24 0.000000000e+00 8.26 0.000000000e+00 8.28 0.000000000e+00 8.30 0.000000000e+00 8.32 0.000000000e+00 8.34 0.000000000e+00 8.36 0.000000000e+00 8.38 0.000000000e+00 8.40 0.000000000e+00 8.42 0.000000000e+00 8.44 0.000000000e+00 8.46 0.000000000e+00 8.48 0.000000000e+00 8.50 0.000000000e+00 8.52 0.000000000e+00 8.54 0.000000000e+00 8.56 0.000000000e+00 8.58 0.000000000e+00 8.60 0.000000000e+00 8.62 0.000000000e+00 8.64 0.000000000e+00 8.66 0.000000000e+00 8.68 0.000000000e+00 8.70 0.000000000e+00 8.72 0.000000000e+00 8.74 0.000000000e+00 8.76 0.000000000e+00 8.78 0.000000000e+00 8.80 0.000000000e+00 8.82 0.000000000e+00 8.84 0.000000000e+00 8.86 0.000000000e+00 8.88 0.000000000e+00 8.90 0.000000000e+00 8.92 0.000000000e+00 8.94 0.000000000e+00 8.96 0.000000000e+00 8.98 0.000000000e+00 9.00 0.000000000e+00 9.02 0.000000000e+00 9.04 0.000000000e+00 9.06 0.000000000e+00 9.08 0.000000000e+00 9.10 0.000000000e+00 9.12 0.000000000e+00 9.14 0.000000000e+00 9.16 0.000000000e+00 9.18 0.000000000e+00 9.20 0.000000000e+00 9.22 0.000000000e+00 9.24 0.000000000e+00 9.26 0.000000000e+00 9.28 0.000000000e+00 9.30 0.000000000e+00 9.32 0.000000000e+00 9.34 0.000000000e+00 9.36 0.000000000e+00 9.38 0.000000000e+00 9.40 0.000000000e+00 9.42 0.000000000e+00 9.44 0.000000000e+00 9.46 0.000000000e+00 9.48 0.000000000e+00 9.50 0.000000000e+00 9.52 0.000000000e+00 9.54 0.000000000e+00 9.56 0.000000000e+00 9.58 0.000000000e+00 9.60 0.000000000e+00 9.62 0.000000000e+00 9.64 0.000000000e+00 9.66 0.000000000e+00 9.68 0.000000000e+00 9.70 0.000000000e+00 9.72 0.000000000e+00 9.74 0.000000000e+00 9.76 0.000000000e+00 9.78 0.000000000e+00 9.80 0.000000000e+00 9.82 0.000000000e+00 9.84 0.000000000e+00 9.86 0.000000000e+00 9.88 0.000000000e+00 9.90 0.000000000e+00 9.92 0.000000000e+00 9.94 0.000000000e+00 9.96 0.000000000e+00 9.98 0.000000000e+00 10.00 0.000000000e+00