# 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 = Ni3Ti # 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 1.555101320e+02 nan nan 1.16 1.416559171e+02 nan nan 1.18 1.290055152e+02 nan nan 1.20 1.174500586e+02 nan nan 1.22 1.068914373e+02 nan nan 1.24 9.723901408e+01 nan nan 1.26 8.841024905e+01 nan nan 1.28 8.033239286e+01 1.321152470e+02 1.541929043e+02 1.30 7.294144933e+01 1.211932502e+02 1.418280402e+02 1.32 6.617912597e+01 1.111410329e+02 1.304237906e+02 1.34 5.999085158e+01 1.018800198e+02 1.199043392e+02 1.36 5.432609164e+01 9.334186084e+01 1.102008814e+02 1.38 4.913943011e+01 8.546874851e+01 1.012496491e+02 1.40 4.439050559e+01 7.821061879e+01 9.299109572e+01 1.42 4.004281970e+01 7.152213221e+01 8.536961821e+01 1.44 3.606254901e+01 6.536097604e+01 7.833360745e+01 1.46 3.241793137e+01 5.968709947e+01 7.183567761e+01 1.48 2.907932385e+01 5.446223961e+01 6.583247772e+01 1.50 2.601982673e+01 4.964977870e+01 6.028409028e+01 1.52 2.321593915e+01 4.521519970e+01 5.515388996e+01 1.54 2.064768652e+01 4.112685958e+01 5.040909174e+01 1.56 1.829737727e+01 3.735635290e+01 4.602104398e+01 1.58 1.614862309e+01 3.387817082e+01 4.196455718e+01 1.60 1.418553109e+01 3.066914724e+01 3.821669295e+01 1.62 1.239249876e+01 2.770824674e+01 3.475579722e+01 1.64 1.075449357e+01 2.497660558e+01 3.156105499e+01 1.66 9.257458924e+00 2.245741359e+01 2.861233998e+01 1.68 7.888638841e+00 2.013549264e+01 2.589012283e+01 1.70 6.636745575e+00 1.799637334e+01 2.337555702e+01 1.72 5.491920865e+00 1.602612402e+01 2.105111579e+01 1.74 4.445520649e+00 1.421130388e+01 1.890098593e+01 1.76 3.489864033e+00 1.253913213e+01 1.691150407e+01 1.78 2.618065038e+00 1.099777107e+01 1.507104431e+01 1.80 1.823934977e+00 9.576605169e+00 1.336942318e+01 1.82 1.101882875e+00 8.266408739e+00 1.179731115e+01 1.84 4.467907699e-01 7.059303145e+00 1.034587732e+01 1.86 -1.461152822e-01 5.948481346e+00 9.006704752e+00 1.88 -6.813773914e-01 4.927795617e+00 7.771864475e+00 1.90 -1.163391838e+00 3.991372775e+00 6.633988105e+00 1.92 -1.596453889e+00 3.133382962e+00 5.586246951e+00 1.94 -1.984746837e+00 2.348001163e+00 4.622256922e+00 1.96 -2.332285300e+00 1.629522843e+00 3.735978212e+00 1.98 -2.642844170e+00 9.725454439e-01 2.921660617e+00 2.00 -2.919901425e+00 3.721140896e-01 2.173847435e+00 2.02 -3.166602576e+00 -1.762282936e-01 1.487433185e+00 2.04 -3.385744107e+00 -6.764755684e-01 8.577529948e-01 2.06 -3.579776482e+00 -1.132224118e+00 2.806519231e-01 2.08 -3.750832292e+00 -1.546724710e+00 -2.475205743e-01 2.10 -3.900779245e+00 -1.922910740e+00 -7.300032770e-01 2.12 -4.031288340e+00 -2.263420041e+00 -1.169761877e+00 2.14 -4.143899429e+00 -2.570629618e+00 -1.569620041e+00 2.16 -4.240065816e+00 -2.846708962e+00 -1.932350609e+00 2.18 -4.321168983e+00 -3.093685826e+00 -2.260719287e+00 2.20 -4.388509442e+00 -3.313513014e+00 -2.557483694e+00 2.22 -4.443291442e+00 -3.508124593e+00 -2.825351635e+00 2.24 -4.486616816e+00 -3.679470490e+00 -3.066911306e+00 2.26 -4.519544335e+00 -3.829524261e+00 -3.284553218e+00 2.28 -4.542925009e+00 -3.960268272e+00 -3.480408930e+00 2.30 -4.557491758e+00 -4.073666461e+00 -3.656323534e+00 2.32 -4.563929779e+00 -4.171632527e+00 -3.813866381e+00 2.34 -4.562911460e+00 -4.255988847e+00 -3.954370433e+00 2.36 -4.555135561e+00 -4.328411650e+00 -4.078983502e+00 2.38 -4.541343141e+00 -4.390368221e+00 -4.188715473e+00 2.40 -4.522221368e+00 -4.443068098e+00 -4.284472616e+00 2.42 -4.498366929e+00 -4.487450518e+00 -4.367080087e+00 2.44 -4.470279321e+00 -4.524229553e+00 -4.437298415e+00 2.46 -4.437983884e+00 -4.553972961e+00 -4.495841338e+00 2.48 -4.401460488e+00 -4.577019234e+00 -4.543399558e+00 2.50 -4.360792031e+00 -4.593654793e+00 -4.580671293e+00 2.52 -4.316140202e+00 -4.604161648e+00 -4.608402905e+00 2.54 -4.267724717e+00 -4.608829627e+00 -4.627463677e+00 2.56 -4.215801245e+00 -4.607963422e+00 -4.638697196e+00 2.58 -4.160639123e+00 -4.601878469e+00 -4.643009787e+00 2.60 -4.102503558e+00 -4.590852873e+00 -4.641353506e+00 2.62 -4.041645849e+00 -4.575081080e+00 -4.634667807e+00 2.64 -3.978302130e+00 -4.554768913e+00 -4.623807516e+00 2.66 -3.912697354e+00 -4.530051283e+00 -4.609483575e+00 2.68 -3.845050656e+00 -4.500949701e+00 -4.592186570e+00 2.70 -3.775579210e+00 -4.467412554e+00 -4.572152898e+00 2.72 -3.704499543e+00 -4.429510410e+00 -4.549515985e+00 2.74 -3.632026651e+00 -4.387430791e+00 -4.524182782e+00 2.76 -3.558371877e+00 -4.341450556e+00 -4.495828421e+00 2.78 -3.483740569e+00 -4.291902148e+00 -4.464207431e+00 2.80 -3.408330434e+00 -4.239138427e+00 -4.429171733e+00 2.82 -3.332330698e+00 -4.183502036e+00 -4.390659406e+00 2.84 -3.255922607e+00 -4.125305324e+00 -4.348682874e+00 2.86 -3.179280542e+00 -4.064822141e+00 -4.303317192e+00 2.88 -3.102573219e+00 -4.002289791e+00 -4.254688564e+00 2.90 -3.025964130e+00 -3.937916928e+00 -4.202962743e+00 2.92 -2.949610565e+00 -3.871893179e+00 -4.148333059e+00 2.94 -2.873661542e+00 -3.804397796e+00 -4.091008398e+00 2.96 -2.798254280e+00 -3.735606354e+00 -4.031202173e+00 2.98 -2.723511475e+00 -3.665695552e+00 -3.969124134e+00 3.00 -2.649539127e+00 -3.594846224e+00 -3.904975078e+00 3.02 -2.576425706e+00 -3.523244223e+00 -3.838946259e+00 3.04 -2.504242478e+00 -3.451078574e+00 -3.771221756e+00 3.06 -2.433044733e+00 -3.378537141e+00 -3.701983173e+00 3.08 -2.362873704e+00 -3.305800183e+00 -3.631415325e+00 3.10 -2.293759101e+00 -3.233034538e+00 -3.559711620e+00 3.12 -2.225722254e+00 -3.160389540e+00 -3.487077909e+00 3.14 -2.158779736e+00 -3.087996108e+00 -3.413733687e+00 3.16 -2.092947134e+00 -3.015968030e+00 -3.339909858e+00 3.18 -2.028242389e+00 -2.944405169e+00 -3.265842979e+00 3.20 -1.964687999e+00 -2.873396648e+00 -3.191766839e+00 3.22 -1.902311528e+00 -2.803023353e+00 -3.117903279e+00 3.24 -1.841144253e+00 -2.733359375e+00 -3.044454196e+00 3.26 -1.781218368e+00 -2.664472445e+00 -2.971596933e+00 3.28 -1.722563568e+00 -2.596423659e+00 -2.899483486e+00 3.30 -1.665203909e+00 -2.529266843e+00 -2.828243035e+00 3.32 -1.609155474e+00 -2.463047849e+00 -2.757986083e+00 3.34 -1.554424867e+00 -2.397803993e+00 -2.688808189e+00 3.36 -1.501008207e+00 -2.333563784e+00 -2.620791743e+00 3.38 -1.448890333e+00 -2.270347037e+00 -2.554005269e+00 3.40 -1.398044244e+00 -2.208165421e+00 -2.488500904e+00 3.42 -1.348431076e+00 -2.147023565e+00 -2.424311468e+00 3.44 -1.300001504e+00 -2.086920471e+00 -2.361448652e+00 3.46 -1.252697904e+00 -2.027851455e+00 -2.299903343e+00 3.48 -1.206458726e+00 -1.969810170e+00 -2.239648246e+00 3.50 -1.161223676e+00 -1.912790495e+00 -2.180642263e+00 3.52 -1.116939690e+00 -1.856787907e+00 -2.122836076e+00 3.54 -1.073566994e+00 -1.801799971e+00 -2.066177128e+00 3.56 -1.031084573e+00 -1.747825777e+00 -2.010614617e+00 3.58 -9.894942991e-01 -1.694864425e+00 -1.956103080e+00 3.60 -9.488229353e-01 -1.642912964e+00 -1.902604842e+00 3.62 -9.091213414e-01 -1.591964412e+00 -1.850091260e+00 3.64 -8.704604440e-01 -1.542006516e+00 -1.798542896e+00 3.66 -8.329240629e-01 -1.493021666e+00 -1.747948813e+00 3.68 -7.965993158e-01 -1.444988123e+00 -1.698305246e+00 3.70 -7.615659506e-01 -1.397882388e+00 -1.649613870e+00 3.72 -7.278863163e-01 -1.351682354e+00 -1.601879931e+00 3.74 -6.955976364e-01 -1.306370803e+00 -1.555110400e+00 3.76 -6.647077695e-01 -1.261938831e+00 -1.509312327e+00 3.78 -6.351948931e-01 -1.218388779e+00 -1.464491460e+00 3.80 -6.070107757e-01 -1.175736289e+00 -1.420651185e+00 3.82 -5.800867305e-01 -1.134011088e+00 -1.377791781e+00 3.84 -5.543410858e-01 -1.093256204e+00 -1.335909974e+00 3.86 -5.296870376e-01 -1.053525424e+00 -1.294998739e+00 3.88 -5.060399596e-01 -1.014879075e+00 -1.255047313e+00 3.90 -4.833235231e-01 -9.773785069e-01 -1.216041379e+00 3.92 -4.614742026e-01 -9.410799068e-01 -1.177963336e+00 3.94 -4.404440764e-01 -9.060284576e-01 -1.140792867e+00 3.96 -4.202015255e-01 -8.722533131e-01 -1.104507153e+00 3.98 -4.007303326e-01 -8.397645323e-01 -1.069081545e+00 4.00 -3.820270315e-01 -8.085518877e-01 -1.034489979e+00 4.02 -3.640970173e-01 -7.785856293e-01 -1.000705368e+00 4.04 -3.469499101e-01 -7.498187894e-01 -9.676998554e-01 4.06 -3.305947991e-01 -7.221904715e-01 -9.354448761e-01 4.08 -3.150359965e-01 -6.956295484e-01 -9.039109876e-01 4.10 -3.002698204e-01 -6.700582252e-01 -8.730674904e-01 4.12 -2.862827194e-01 -6.453955384e-01 -8.428818941e-01 4.14 -2.730508027e-01 -6.215596138e-01 -8.133193582e-01 4.16 -2.605406093e-01 -5.984700681e-01 -7.843422741e-01 4.18 -2.487107994e-01 -5.760495378e-01 -7.559101700e-01 4.20 -2.375143850e-01 -5.542249169e-01 -7.279800920e-01 4.22 -2.269011448e-01 -5.329283721e-01 -7.005075607e-01 4.24 -2.168199429e-01 -5.120982705e-01 -6.734481290e-01 4.26 -2.072207760e-01 -4.916801296e-01 -6.467594966e-01 4.28 -1.980562554e-01 -4.716276586e-01 -6.204040783e-01 4.30 -1.892832044e-01 -4.519039113e-01 -5.943518777e-01 4.32 -1.808639645e-01 -4.324825156e-01 -5.685834766e-01 4.34 -1.727663881e-01 -4.133488852e-01 -5.430929120e-01 4.36 -1.649642522e-01 -3.945012632e-01 -5.178901692e-01 4.38 -1.574375459e-01 -3.759514016e-01 -4.930029857e-01 4.40 -1.501721266e-01 -3.577246582e-01 -4.684776434e-01 4.42 -1.431594655e-01 -3.398593034e-01 -4.443784576e-01 4.44 -1.363959396e-01 -3.224048901e-01 -4.207857593e-01 4.46 -1.298819205e-01 -3.054196402e-01 -3.977923179e-01 4.48 -1.236206618e-01 -2.889669465e-01 -3.754983610e-01 4.50 -1.176170579e-01 -2.731112354e-01 -3.540055709e-01 4.52 -1.118763428e-01 -2.579135727e-01 -3.334105567e-01 4.54 -1.064030196e-01 -2.434274636e-01 -3.137989537e-01 4.56 -1.011996576e-01 -2.296952959e-01 -2.952396268e-01 4.58 -9.626628674e-02 -2.167457862e-01 -2.777811842e-01 4.60 -9.159993138e-02 -2.045926398e-01 -2.614498423e-01 4.62 -8.719449499e-02 -1.932344525e-01 -2.462492307e-01 4.64 -8.304092231e-02 -1.826557237e-01 -2.321618552e-01 4.66 -7.912757475e-02 -1.728287229e-01 -2.191518406e-01 4.68 -7.544074132e-02 -1.637158973e-01 -2.071684885e-01 4.70 -7.196520880e-02 -1.552725103e-01 -1.961501787e-01 4.72 -6.868482643e-02 -1.474492315e-01 -1.860282085e-01 4.74 -6.558301817e-02 -1.401942381e-01 -1.767302754e-01 4.76 -6.264321471e-02 -1.334558784e-01 -1.681834184e-01 4.78 -5.984919397e-02 -1.271839831e-01 -1.603162301e-01 4.80 -5.718533252e-02 -1.213308250e-01 -1.530605590e-01 4.82 -5.463677900e-02 -1.158521904e-01 -1.463532226e-01 4.84 -5.218956551e-02 -1.107076752e-01 -1.401360818e-01 4.86 -4.983067505e-02 -1.058611891e-01 -1.343563487e-01 4.88 -4.754808284e-02 -1.012810175e-01 -1.289666331e-01 4.90 -4.533078739e-02 -9.693978363e-02 -1.239247691e-01 4.92 -4.316884485e-02 -9.281429497e-02 -1.191934975e-01 4.94 -4.105341707e-02 -8.888529626e-02 -1.147400654e-01 4.96 -3.897684031e-02 -8.513714345e-02 -1.105357880e-01 4.98 -3.693271643e-02 -8.155740638e-02 -1.065556020e-01 5.00 -3.491602545e-02 -7.813641032e-02 -1.027776335e-01 5.02 -3.292325264e-02 -7.486672900e-02 -9.918279182e-02 5.04 -3.095251684e-02 -7.174264818e-02 -9.575439743e-02 5.06 -2.900368240e-02 -6.875962701e-02 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-3.356170462e-02 -4.957511424e-02 5.44 -3.521333828e-03 -3.224856781e-02 -4.772244022e-02 5.46 -3.027748595e-03 -3.096505535e-02 -4.589651883e-02 5.48 -2.598050012e-03 -2.970704618e-02 -4.409374828e-02 5.50 -2.225465555e-03 -2.847079260e-02 -4.231074283e-02 5.52 -1.903535188e-03 -2.725293838e-02 -4.054439578e-02 5.54 -1.626217059e-03 -2.605054672e-02 -3.879193502e-02 5.56 -1.387951899e-03 -2.486113727e-02 -3.705110105e-02 5.58 -1.183693785e-03 -2.368273223e-02 -3.532010858e-02 5.60 -1.008914927e-03 -2.251390884e-02 -3.359784965e-02 5.62 -8.595915089e-04 -2.135385447e-02 -3.188397635e-02 5.64 -7.321766316e-04 -2.020241937e-02 -3.017900213e-02 5.66 -6.235652333e-04 -1.906016050e-02 -2.848438715e-02 5.68 -5.310547862e-04 -1.792836938e-02 -2.680259678e-02 5.70 -4.523045843e-04 -1.680907587e-02 -2.513712202e-02 5.72 -3.852956150e-04 -1.570502099e-02 -2.349245114e-02 5.74 -3.282923217e-04 -1.461959296e-02 -2.187398448e-02 5.76 -2.798070696e-04 -1.355672123e-02 -2.028788461e-02 5.78 -2.385677471e-04 -1.252060190e-02 -1.874067243e-02 5.80 -2.034886551e-04 -1.151576671e-02 -1.723933603e-02 5.82 -1.736446500e-04 -1.054686767e-02 -1.579101479e-02 5.84 -1.482483954e-04 -9.618365626e-03 -1.440253616e-02 5.86 -1.266305016e-04 -8.734324896e-03 -1.308011164e-02 5.88 -1.082222879e-04 -7.898230051e-03 -1.182906522e-02 5.90 -9.254090104e-05 -7.112838740e-03 -1.065361547e-02 5.92 -7.917652030e-05 -6.380080942e-03 -9.556726735e-03 5.94 -6.778139432e-05 -5.701009783e-03 -8.540037414e-03 5.96 -5.806047215e-05 -5.075803687e-03 -7.603864807e-03 5.98 -4.976341651e-05 -4.503814673e-03 -6.747279003e-03 6.00 -4.267780781e-05 -3.983653978e-03 -5.968232485e-03