# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1986--Foiles-S-M-Baskes-M-I-Daw-M-S--Ag-Au-Cu-Ni-Pd-Pt # implementation = 1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1 # composition = NiPt3 # 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 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 1.248981781e+03 nan nan 0.88 1.131116826e+03 nan nan 0.90 1.025383734e+03 nan nan 0.92 9.304200942e+02 nan nan 0.94 8.450304680e+02 nan nan 0.96 7.681659400e+02 1.127450904e+03 1.274166463e+03 0.98 6.989039072e+02 1.030177430e+03 1.166330099e+03 1.00 6.364248042e+02 9.420571629e+02 1.068452711e+03 1.02 5.800120823e+02 8.621539370e+02 9.795281866e+02 1.04 5.290252570e+02 7.896378256e+02 8.986550511e+02 1.06 4.828979785e+02 7.237674012e+02 8.250435628e+02 1.08 4.411242212e+02 6.638802661e+02 7.579803118e+02 1.10 4.032586631e+02 6.093901929e+02 6.968344917e+02 1.12 3.689005242e+02 5.597652404e+02 6.410402800e+02 1.14 3.376958398e+02 5.145316249e+02 5.900881732e+02 1.16 3.093271435e+02 4.732694974e+02 5.435221073e+02 1.18 2.835108228e+02 4.355989002e+02 5.009328242e+02 1.20 2.599932359e+02 4.011764413e+02 4.619520665e+02 1.22 2.385464232e+02 3.696932647e+02 4.262457651e+02 1.24 2.189689908e+02 3.408756856e+02 3.935136740e+02 1.26 2.010801359e+02 3.144746549e+02 3.634877141e+02 1.28 1.847168687e+02 2.902661108e+02 3.359222148e+02 1.30 1.697327388e+02 2.680466618e+02 3.105950362e+02 1.32 1.559985737e+02 2.476351827e+02 2.873070364e+02 1.34 1.433976371e+02 2.288676823e+02 2.658782177e+02 1.36 1.318241182e+02 2.115972214e+02 2.461444675e+02 1.38 1.211826305e+02 1.956901809e+02 2.279559557e+02 1.40 1.113891719e+02 1.810256578e+02 2.111776178e+02 1.42 1.023677471e+02 1.674945703e+02 1.956889187e+02 1.44 9.405007288e+01 1.549985652e+02 1.813796642e+02 1.46 8.637338258e+01 1.434484384e+02 1.681496935e+02 1.48 7.928133339e+01 1.327631452e+02 1.559067852e+02 1.50 7.272511448e+01 1.228696529e+02 1.445681903e+02 1.52 6.665930805e+01 1.137021369e+02 1.340596070e+02 1.54 6.104292426e+01 1.052002221e+02 1.243119286e+02 1.56 5.583880837e+01 9.730899690e+01 1.152641560e+02 1.58 5.101340092e+01 8.997923967e+01 1.068596647e+02 1.60 4.653519219e+01 8.316671878e+01 9.904697646e+01 1.62 4.237749655e+01 7.683088103e+01 9.177918067e+01 1.64 3.851514986e+01 7.093408948e+01 8.501360250e+01 1.66 3.492523981e+01 6.544232399e+01 7.871132380e+01 1.68 3.158688177e+01 6.032465387e+01 7.283686204e+01 1.70 2.848093578e+01 5.555268780e+01 6.735775615e+01 1.72 2.558962670e+01 5.109989797e+01 6.224399897e+01 1.74 2.290437636e+01 4.694370627e+01 5.746874165e+01 1.76 2.039344329e+01 4.306244891e+01 5.300715027e+01 1.78 1.807396646e+01 3.943580904e+01 4.883594605e+01 1.80 1.591692654e+01 3.604581858e+01 4.493453763e+01 1.82 1.391341736e+01 3.287596610e+01 4.128416990e+01 1.84 1.205526079e+01 2.991084523e+01 3.786734860e+01 1.86 1.033463636e+01 2.713628240e+01 3.466743054e+01 1.88 8.744009156e+00 2.454330614e+01 3.166951686e+01 1.90 7.276079026e+00 2.212243710e+01 2.885985323e+01 1.92 5.923902035e+00 1.984521805e+01 2.622571627e+01 1.94 4.680779055e+00 1.773144859e+01 2.376071266e+01 1.96 3.540180642e+00 1.575532500e+01 2.143675361e+01 1.98 2.495773475e+00 1.391011054e+01 1.928085739e+01 2.00 1.542486140e+00 1.218931294e+01 1.726016586e+01 2.02 6.741851247e-01 1.058667097e+01 1.536745082e+01 2.04 -1.144690460e-01 9.096145355e+00 1.359720104e+01 2.06 -8.285740001e-01 7.711725546e+00 1.194358892e+01 2.08 -1.472991809e+00 6.427647182e+00 1.040085138e+01 2.10 -2.052410191e+00 5.238690624e+00 8.963429231e+00 2.12 -2.570921850e+00 4.139464270e+00 7.625961074e+00 2.14 -3.032708007e+00 3.125171849e+00 6.383279166e+00 2.16 -3.442002903e+00 2.191295050e+00 5.230437974e+00 2.18 -3.802598371e+00 1.333661854e+00 4.162504870e+00 2.20 -4.118070506e+00 5.472117124e-01 3.174870090e+00 2.22 -4.391596768e+00 -1.722501492e-01 2.263280341e+00 2.24 -4.626676946e+00 -8.287373659e-01 1.423861650e+00 2.26 -4.826350724e+00 -1.426086591e+00 6.519472327e-01 2.28 -4.993906148e+00 -1.967961975e+00 -5.633024022e-02 2.30 -5.131633475e+00 -2.457498299e+00 -7.046750702e-01 2.32 -5.242180268e+00 -2.898190582e+00 -1.296631951e+00 2.34 -5.328002615e+00 -3.293359735e+00 -1.835589749e+00 2.36 -5.390637880e+00 -3.646039587e+00 -2.324524194e+00 2.38 -5.432574707e+00 -3.959114481e+00 -2.766723382e+00 2.40 -5.456134640e+00 -4.235300088e+00 -3.165535696e+00 2.42 -5.462986273e+00 -4.477142805e+00 -3.523618766e+00 2.44 -5.454687517e+00 -4.687231709e+00 -3.843391557e+00 2.46 -5.432808588e+00 -4.867889380e+00 -4.127402433e+00 2.48 -5.398806127e+00 -5.021318074e+00 -4.377859043e+00 2.50 -5.354025813e+00 -5.149597314e+00 -4.597290394e+00 2.52 -5.299708268e+00 -5.255104078e+00 -4.787902046e+00 2.54 -5.236994898e+00 -5.339503605e+00 -4.951762850e+00 2.56 -5.166933621e+00 -5.404029706e+00 -5.090831798e+00 2.58 -5.090402689e+00 -5.450180140e+00 -5.206961866e+00 2.60 -5.007928329e+00 -5.479932626e+00 -5.301903790e+00 2.62 -4.920790599e+00 -5.494730410e+00 -5.377315088e+00 2.64 -4.829700774e+00 -5.495923391e+00 -5.434168531e+00 2.66 -4.735598299e+00 -5.485010525e+00 -5.474727103e+00 2.68 -4.639631987e+00 -5.463155807e+00 -5.500522319e+00 2.70 -4.540689889e+00 -5.431212038e+00 -5.512479897e+00 2.72 -4.438417740e+00 -5.390198288e+00 -5.511812604e+00 2.74 -4.335033597e+00 -5.341061080e+00 -5.499655923e+00 2.76 -4.230922215e+00 -5.284683561e+00 -5.477074543e+00 2.78 -4.126529282e+00 -5.222843303e+00 -5.445427298e+00 2.80 -4.022193129e+00 -5.155901476e+00 -5.405765436e+00 2.82 -3.918062516e+00 -5.083540258e+00 -5.358433207e+00 2.84 -3.815016987e+00 -5.006661774e+00 -5.304231406e+00 2.86 -3.713732915e+00 -4.925973806e+00 -5.243899662e+00 2.88 -3.613212876e+00 -4.842019889e+00 -5.178127841e+00 2.90 -3.513634522e+00 -4.755297186e+00 -5.107133439e+00 2.92 -3.415153990e+00 -4.666313973e+00 -5.031897783e+00 2.94 -3.317908794e+00 -4.574250021e+00 -4.953007889e+00 2.96 -3.222230530e+00 -4.479843694e+00 -4.870963879e+00 2.98 -3.127994967e+00 -4.384390170e+00 -4.786225845e+00 3.00 -3.035291029e+00 -4.288192781e+00 -4.699215738e+00 3.02 -2.944194202e+00 -4.191536433e+00 -4.609722122e+00 3.04 -2.854767827e+00 -4.094677316e+00 -4.517102030e+00 3.06 -2.767064068e+00 -3.997846705e+00 -4.423403861e+00 3.08 -2.681125013e+00 -3.901252931e+00 -4.330737830e+00 3.10 -2.596984014e+00 -3.805083216e+00 -4.237454291e+00 3.12 -2.514666428e+00 -3.709505365e+00 -4.143801288e+00 3.14 -2.434189480e+00 -3.614669321e+00 -4.050004301e+00 3.16 -2.355564957e+00 -3.520708628e+00 -3.956267891e+00 3.18 -2.278792669e+00 -3.427741780e+00 -3.862777237e+00 3.20 -2.203889542e+00 -3.335873470e+00 -3.769699580e+00 3.22 -2.130871165e+00 -3.245195745e+00 -3.677185602e+00 3.24 -2.059575666e+00 -3.155781075e+00 -3.585370678e+00 3.26 -1.989941722e+00 -3.068663678e+00 -3.494376049e+00 3.28 -1.922074116e+00 -2.983237301e+00 -3.404309921e+00 3.30 -1.855867611e+00 -2.899191693e+00 -3.315268490e+00 3.32 -1.791158800e+00 -2.816574796e+00 -3.227336885e+00 3.34 -1.727988629e+00 -2.735426709e+00 -3.140590020e+00 3.36 -1.666524741e+00 -2.655780820e+00 -3.055093408e+00 3.38 -1.606858900e+00 -2.577664342e+00 -2.970904685e+00 3.40 -1.548931931e+00 -2.501097994e+00 -2.888121608e+00 3.42 -1.492691074e+00 -2.426098474e+00 -2.806865495e+00 3.44 -1.438091761e+00 -2.352676122e+00 -2.727033297e+00 3.46 -1.385092536e+00 -2.280830256e+00 -2.648657413e+00 3.48 -1.333667450e+00 -2.210592232e+00 -2.571761465e+00 3.50 -1.283792364e+00 -2.141968328e+00 -2.496364084e+00 3.52 -1.235429328e+00 -2.074823720e+00 -2.422479844e+00 3.54 -1.188518077e+00 -2.009100795e+00 -2.350117250e+00 3.56 -1.143040111e+00 -1.944839996e+00 -2.279277312e+00 3.58 -1.098971698e+00 -1.881999827e+00 -2.209987069e+00 3.60 -1.056285849e+00 -1.820514979e+00 -2.142251709e+00 3.62 -1.014925725e+00 -1.760424396e+00 -2.075938338e+00 3.64 -9.747254637e-01 -1.701791222e+00 -2.010993137e+00 3.66 -9.357510044e-01 -1.644654375e+00 -1.947500533e+00 3.68 -8.979908587e-01 -1.589018304e+00 -1.885404009e+00 3.70 -8.614741551e-01 -1.534877564e+00 -1.824568374e+00 3.72 -8.262825384e-01 -1.482196616e+00 -1.764984419e+00 3.74 -7.924686857e-01 -1.430942298e+00 -1.706791798e+00 3.76 -7.601440589e-01 -1.381087351e+00 -1.650557062e+00 3.78 -7.293448869e-01 -1.332611819e+00 -1.596070366e+00 3.80 -6.998157646e-01 -1.285489571e+00 -1.542992619e+00 3.82 -6.714045339e-01 -1.239674085e+00 -1.491292452e+00 3.84 -6.438124926e-01 -1.195150048e+00 -1.440942218e+00 3.86 -6.167982045e-01 -1.151900489e+00 -1.391915076e+00 3.88 -5.901968774e-01 -1.109906961e+00 -1.344195493e+00 3.90 -5.639033399e-01 -1.069114261e+00 -1.297771645e+00 3.92 -5.378581346e-01 -1.029408602e+00 -1.252617323e+00 3.94 -5.120362279e-01 -9.908305776e-01 -1.208681735e+00 3.96 -4.864378957e-01 -9.534100353e-01 -1.165952453e+00 3.98 -4.610368823e-01 -9.171272690e-01 -1.124423061e+00 4.00 -4.358282544e-01 -8.819727783e-01 -1.084078361e+00 4.02 -4.109380358e-01 -8.479304050e-01 -1.044891973e+00 4.04 -3.864913674e-01 -8.150955812e-01 -1.006709706e+00 4.06 -3.626541494e-01 -7.835662636e-01 -9.695342254e-01 4.08 -3.395502065e-01 -7.532035991e-01 -9.334332196e-01 4.10 -3.172679739e-01 -7.238857462e-01 -8.984424630e-01 4.12 -2.958672536e-01 -6.955636390e-01 -8.645193809e-01 4.14 -2.753848276e-01 -6.681414356e-01 -8.317108507e-01 4.16 -2.558391110e-01 -6.416043142e-01 -8.000636368e-01 4.18 -2.372340009e-01 -6.160851530e-01 -7.697196667e-01 4.20 -2.195620454e-01 -5.910141096e-01 -7.406425846e-01 4.22 -2.028070486e-01 -5.662899713e-01 -7.126079980e-01 4.24 -1.869462015e-01 -5.418474858e-01 -6.854454595e-01 4.26 -1.719518198e-01 -5.176430076e-01 -6.590932194e-01 4.28 -1.577974046e-01 -4.936084748e-01 -6.334098421e-01 4.30 -1.449225689e-01 -4.698048158e-01 -6.082206444e-01 4.32 -1.337926243e-01 -4.463114307e-01 -5.834033776e-01 4.34 -1.244323048e-01 -4.231963520e-01 -5.588774329e-01 4.36 -1.162258555e-01 -4.004967396e-01 -5.345948614e-01 4.38 -1.084739358e-01 -3.782351007e-01 -5.105329314e-01 4.40 -1.011544197e-01 -3.564845001e-01 -4.866781550e-01 4.42 -9.424568780e-02 -3.353469277e-01 -4.629615877e-01 4.44 -8.772673802e-02 -3.148974748e-01 -4.394781753e-01 4.46 -8.157726513e-02 -2.951890653e-01 -4.163439459e-01 4.48 -7.577771555e-02 -2.762564772e-01 -3.936509454e-01 4.50 -7.030932189e-02 -2.581197292e-01 -3.714372541e-01 4.52 -6.515412157e-02 -2.407869237e-01 -3.497887646e-01 4.54 -6.029496268e-02 -2.242566285e-01 -3.287940403e-01 4.56 -5.571550001e-02 -2.085198670e-01 -3.085172508e-01 4.58 -5.140018333e-02 -1.935648762e-01 -2.890025014e-01 4.60 -4.733423981e-02 -1.800193285e-01 -2.702774908e-01 4.62 -4.350365218e-02 -1.677975153e-01 -2.523565927e-01 4.64 -3.989513373e-02 -1.562048102e-01 -2.352434432e-01 4.66 -3.649610122e-02 -1.452178048e-01 -2.189331135e-01 4.68 -3.329464643e-02 -1.348123337e-01 -2.034139208e-01 4.70 -3.027950701e-02 -1.249638507e-01 -1.886689387e-01 4.72 -2.744003706e-02 -1.156477337e-01 -1.746772503e-01 4.74 -2.475739438e-02 -1.068395284e-01 -1.614149838e-01 4.76 -2.303958574e-02 -9.851514104e-02 -1.488561644e-01 4.78 -2.142456914e-02 -9.065598167e-02 -1.369810204e-01 4.80 -1.989688249e-02 -8.326530109e-02 -1.258013049e-01 4.82 -1.845197693e-02 -7.708319954e-02 -1.164509437e-01 4.84 -1.708552676e-02 -7.127913875e-02 -1.076673517e-01 4.86 -1.579341971e-02 -6.580160066e-02 -9.937453960e-02 4.88 -1.457174748e-02 -6.063120821e-02 -9.154494506e-02 4.90 -1.341679654e-02 -5.575171643e-02 -8.415531241e-02 4.92 -1.232503928e-02 -5.114758356e-02 -7.718308157e-02 4.94 -1.129312542e-02 -4.680396817e-02 -7.060645949e-02 4.96 -1.031787385e-02 -4.270672033e-02 -6.440446914e-02 4.98 -9.396264621e-03 -3.884236822e-02 -5.855698031e-02 5.00 -8.525431421e-03 -3.519810115e-02 -5.304472556e-02 5.02 -7.702654247e-03 -3.176175006e-02 -4.784930442e-02 5.04 -6.925352434e-03 -2.852176599e-02 -4.295317807e-02 5.06 -6.191077935e-03 -2.546719728e-02 -3.833965660e-02 5.08 -5.497508922e-03 -2.258766590e-02 -3.399288056e-02 5.10 -4.842443649e-03 -1.987334341e-02 -2.989779828e-02 5.12 -4.223794597e-03 -1.731492686e-02 -2.604013993e-02 5.14 -3.639582879e-03 -1.490361475e-02 -2.240638944e-02 5.16 -3.087932895e-03 -1.263108339e-02 -1.898375492e-02 5.18 -2.567067238e-03 -1.048946383e-02 -1.576013819e-02 5.20 -2.075301822e-03 -8.471319268e-03 -1.272410404e-02 5.22 -1.611041232e-03 -6.569623241e-03 -9.864849345e-03 5.24 -1.172774294e-03 -4.777738540e-03 -7.172172654e-03 5.26 -7.590698532e-04 -3.089396983e-03 -4.636444352e-03 5.28 -3.688109605e-04 -1.499648312e-03 -2.250030772e-03 5.30 -7.108680947e-16 -2.338679963e-15 -2.729665412e-15 5.32 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.34 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.36 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.38 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.40 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.42 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.44 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.46 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.48 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.50 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.52 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.54 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.56 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.58 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.60 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.62 0.000000000e+00 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