# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2017--Wu-C-Lee-B-J-Su-X--Ni-Cr-Fe # implementation = 2017--Wu-C--Ni-Cr-Fe--LAMMPS--ipr1 # composition = Cr3Ni # 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 1.071814388e+03 nan nan 0.80 9.889131855e+02 nan nan 0.82 9.121165755e+02 nan nan 0.84 8.409917550e+02 1.050169121e+03 nan 0.86 7.751356231e+02 9.757049243e+02 1.055932422e+03 0.88 7.141728284e+02 9.062520113e+02 9.842126597e+02 0.90 6.577539694e+02 8.414862503e+02 9.170948126e+02 0.92 6.055537370e+02 7.811037855e+02 8.542965241e+02 0.94 5.572692747e+02 7.248198021e+02 7.955520599e+02 0.96 5.126186876e+02 6.723673690e+02 7.406113752e+02 0.98 4.713396559e+02 6.234963501e+02 6.892392724e+02 1.00 4.331881210e+02 5.779723788e+02 6.412145475e+02 1.02 3.979369890e+02 5.355758934e+02 5.963291824e+02 1.04 3.653749961e+02 4.961012291e+02 5.543875825e+02 1.06 3.353057440e+02 4.593557656e+02 5.152058592e+02 1.08 3.075466964e+02 4.251591264e+02 4.786111884e+02 1.10 2.819282263e+02 3.933424242e+02 4.444411658e+02 1.12 2.582927135e+02 3.637475499e+02 4.125431442e+02 1.14 2.364937190e+02 3.362265058e+02 3.827736681e+02 1.16 2.163952268e+02 3.106407803e+02 3.549979435e+02 1.18 1.978710168e+02 2.868607593e+02 3.290893374e+02 1.20 1.808039074e+02 2.647651735e+02 3.049289036e+02 1.22 1.650850652e+02 2.442405789e+02 2.824049362e+02 1.24 1.506134275e+02 2.251808674e+02 2.614125165e+02 1.26 1.372951663e+02 2.074868075e+02 2.418530978e+02 1.28 1.250432082e+02 1.910656169e+02 2.236341980e+02 1.30 1.137767696e+02 1.758305582e+02 2.066690468e+02 1.32 1.034209214e+02 1.617005583e+02 1.908762438e+02 1.34 9.390616171e+01 1.485998520e+02 1.761794383e+02 1.36 8.516794268e+01 1.364576465e+02 1.625070264e+02 1.38 7.714642950e+01 1.252078068e+02 1.497918663e+02 1.40 6.978621878e+01 1.147885606e+02 1.379710109e+02 1.42 6.303602248e+01 1.051422214e+02 1.269854654e+02 1.44 5.684838443e+01 9.621493083e+01 1.167800015e+02 1.46 5.117939012e+01 8.795641196e+01 1.073028742e+02 1.48 4.598840386e+01 8.031973883e+01 9.850558390e+01 1.50 4.123783223e+01 7.326112191e+01 9.034268292e+01 1.52 3.689290424e+01 6.673970680e+01 8.277159353e+01 1.54 3.292147490e+01 6.071738537e+01 7.575243616e+01 1.56 2.929393317e+01 5.515861868e+01 6.924786706e+01 1.58 2.598296323e+01 5.003027092e+01 6.322292560e+01 1.60 2.296329041e+01 4.530145360e+01 5.764489006e+01 1.62 2.021153515e+01 4.094337969e+01 5.248314178e+01 1.64 1.770607449e+01 3.692922584e+01 4.770901968e+01 1.66 1.542690486e+01 3.323400199e+01 4.329565137e+01 1.68 1.335554281e+01 2.983443436e+01 3.921790968e+01 1.70 1.147492086e+01 2.670885373e+01 3.545232441e+01 1.72 9.769284854e+00 2.383708977e+01 3.197697743e+01 1.74 8.224098487e+00 2.120037200e+01 2.877140418e+01 1.76 6.825954339e+00 1.878123716e+01 2.581650135e+01 1.78 5.562473136e+00 1.656344230e+01 2.309444016e+01 1.80 4.422119829e+00 1.453188366e+01 2.058858515e+01 1.82 3.394235999e+00 1.267252047e+01 1.828341777e+01 1.84 2.469037415e+00 1.097230390e+01 1.616446477e+01 1.86 1.637545522e+00 9.419110323e+00 1.421823106e+01 1.88 8.915242341e-01 8.001679187e+00 1.243213840e+01 1.90 2.234331612e-01 6.709556884e+00 1.079451448e+01 1.92 -3.736282158e-01 5.533041972e+00 9.294531415e+00 1.94 -9.059866409e-01 4.463131217e+00 7.922089994e+00 1.96 -1.379441463e+00 3.491471899e+00 6.667770704e+00 1.98 -1.799306589e+00 2.610317403e+00 5.522791175e+00 2.00 -2.170449246e+00 1.812485688e+00 4.478966113e+00 2.02 -2.497325757e+00 1.091320485e+00 3.528669613e+00 2.04 -2.784014470e+00 4.406550187e-01 2.664799667e+00 2.06 -3.034191312e+00 -1.452218590e-01 1.880744801e+00 2.08 -3.251087656e+00 -6.715973346e-01 1.170352679e+00 2.10 -3.437659907e+00 -1.143364183e+00 5.279005947e-01 2.12 -3.596633721e+00 -1.565048369e+00 -5.193227636e-02 2.14 -3.730520740e+00 -1.940834816e+00 -5.740909479e-01 2.16 -3.841634173e+00 -2.274591451e+00 -1.043169117e+00 2.18 -3.932107847e+00 -2.569891915e+00 -1.463450351e+00 2.20 -4.003923529e+00 -2.830028775e+00 -1.838984939e+00 2.22 -4.058905560e+00 -3.058033071e+00 -2.173538457e+00 2.24 -4.098727011e+00 -3.256702361e+00 -2.470588628e+00 2.26 -4.124913546e+00 -3.428617805e+00 -2.733345833e+00 2.28 -4.138831504e+00 -3.576159679e+00 -2.964772230e+00 2.30 -4.141726898e+00 -3.701521858e+00 -3.167599602e+00 2.32 -4.134743539e+00 -3.806725306e+00 -3.344345981e+00 2.34 -4.118930687e+00 -3.893630648e+00 -3.497331155e+00 2.36 -4.095250157e+00 -3.963949883e+00 -3.628691111e+00 2.38 -4.064582924e+00 -4.019257292e+00 -3.740391497e+00 2.40 -4.027735257e+00 -4.060999598e+00 -3.834240151e+00 2.42 -3.985444412e+00 -4.090505417e+00 -3.911898777e+00 2.44 -3.938383920e+00 -4.108994061e+00 -3.974893805e+00 2.46 -3.887168489e+00 -4.117583721e+00 -4.024626501e+00 2.48 -3.832358555e+00 -4.117299084e+00 -4.062382373e+00 2.50 -3.774464421e+00 -4.109078179e+00 -4.089339569e+00 2.52 -3.713940429e+00 -4.093751301e+00 -4.106535522e+00 2.54 -3.651181866e+00 -4.072017006e+00 -4.114829327e+00 2.56 -3.586547613e+00 -4.044508655e+00 -4.115000063e+00 2.58 -3.520365086e+00 -4.011812394e+00 -4.107772365e+00 2.60 -3.452932608e+00 -3.974470387e+00 -4.093819989e+00 2.62 -3.384521613e+00 -3.932983781e+00 -4.073769057e+00 2.64 -3.315378683e+00 -3.887815478e+00 -4.048201116e+00 2.66 -3.245727455e+00 -3.839392738e+00 -4.017656002e+00 2.68 -3.175770378e+00 -3.788109607e+00 -3.982634535e+00 2.70 -3.105690351e+00 -3.734329191e+00 -3.943601050e+00 2.72 -3.035652244e+00 -3.678385787e+00 -3.900985774e+00 2.74 -2.965804305e+00 -3.620586873e+00 -3.855187054e+00 2.76 -2.896279468e+00 -3.561214969e+00 -3.806573450e+00 2.78 -2.827196569e+00 -3.500529379e+00 -3.755482992e+00 2.80 -2.758661467e+00 -3.438767819e+00 -3.702206480e+00 2.82 -2.690768088e+00 -3.376147937e+00 -3.647013054e+00 2.84 -2.623599393e+00 -3.312868738e+00 -3.590279312e+00 2.86 -2.557228273e+00 -3.249111905e+00 -3.532211921e+00 2.88 -2.491718378e+00 -3.185043050e+00 -3.473017353e+00 2.90 -2.427124889e+00 -3.120812862e+00 -3.412904354e+00 2.92 -2.363495224e+00 -3.056558197e+00 -3.352064582e+00 2.94 -2.300869703e+00 -2.992403082e+00 -3.290673771e+00 2.96 -2.239282151e+00 -2.928459660e+00 -3.228892839e+00 2.98 -2.178760470e+00 -2.864829071e+00 -3.166868912e+00 3.00 -2.119327154e+00 -2.801602265e+00 -3.104736288e+00 3.02 -2.060999772e+00 -2.738860773e+00 -3.042617341e+00 3.04 -2.003791416e+00 -2.676677418e+00 -2.980623364e+00 3.06 -1.947711112e+00 -2.615116977e+00 -2.918855357e+00 3.08 -1.892764197e+00 -2.554236800e+00 -2.857404768e+00 3.10 -1.838952674e+00 -2.494087387e+00 -2.796354180e+00 3.12 -1.786275531e+00 -2.434712926e+00 -2.735777963e+00 3.14 -1.734729042e+00 -2.376151787e+00 -2.675742869e+00 3.16 -1.684307044e+00 -2.318436992e+00 -2.616308602e+00 3.18 -1.635001183e+00 -2.261596642e+00 -2.557528340e+00 3.20 -1.586054956e+00 -2.205654322e+00 -2.499449231e+00 3.22 -1.519828715e+00 -2.150629473e+00 -2.442112846e+00 3.24 -1.352290968e+00 -2.096537735e+00 -2.385555612e+00 3.26 -8.434286035e-01 -2.043391275e+00 -2.329809208e+00 3.28 -7.360364737e-01 -1.991199081e+00 -2.274900939e+00 3.30 -7.016851521e-01 -1.939967240e+00 -2.220854080e+00 3.32 -6.686831992e-01 -1.889699195e+00 -2.167688204e+00 3.34 -6.370013199e-01 -1.840395983e+00 -2.115419478e+00 3.36 -6.066078835e-01 -1.792056457e+00 -2.064060947e+00 3.38 -5.774692544e-01 -1.744677114e+00 -2.013622791e+00 3.40 -5.495501164e-01 -1.695883587e+00 -1.964112570e+00 3.42 -5.228137875e-01 -1.624021569e+00 -1.915535452e+00 3.44 -4.972225222e-01 -1.488372953e+00 -1.867894415e+00 3.46 -4.727378001e-01 -1.311002634e+00 -1.821190449e+00 3.48 -4.493205968e-01 -1.266392364e+00 -1.775422733e+00 3.50 -4.268202135e-01 -1.231686818e+00 -1.730588804e+00 3.52 -3.999540831e-01 -1.197719968e+00 -1.686684711e+00 3.54 -3.502998724e-01 -1.164479727e+00 -1.643705159e+00 3.56 -2.871258535e-01 -1.131953511e+00 -1.601643646e+00 3.58 -2.872269861e-01 -1.100128315e+00 -1.560492582e+00 3.60 -2.783156412e-01 -1.068990771e+00 -1.520243405e+00 3.62 -2.696601939e-01 -1.038527216e+00 -1.480886688e+00 3.64 -2.612548785e-01 -1.008723744e+00 -1.442412234e+00 3.66 -2.530939340e-01 -9.795662595e-01 -1.404809169e+00 3.68 -2.451716154e-01 -9.510405322e-01 -1.368066021e+00 3.70 -2.374822057e-01 -9.231322398e-01 -1.332170803e+00 3.72 -2.300200253e-01 -8.958270164e-01 -1.297111075e+00 3.74 -2.227794411e-01 -8.691104947e-01 -1.262874015e+00 3.76 -2.157548747e-01 -8.429683489e-01 -1.229446479e+00 3.78 -2.089408093e-01 -8.173863352e-01 -1.196815050e+00 3.80 -2.023317961e-01 -7.923503322e-01 -1.164966093e+00 3.82 -1.959224599e-01 -7.678463809e-01 -1.133885801e+00 3.84 -1.897075040e-01 -7.438607244e-01 -1.103560232e+00 3.86 -1.836817142e-01 -7.203798480e-01 -1.073975353e+00 3.88 -1.778399627e-01 -6.973905199e-01 -1.045117073e+00 3.90 -1.721772111e-01 -6.748798328e-01 -1.016971273e+00 3.92 -1.662064348e-01 -6.510927558e-01 -9.870203199e-01 3.94 -1.539580538e-01 -6.044212744e-01 -9.239927347e-01 3.96 -1.213690816e-01 -4.829261734e-01 -7.506634973e-01 3.98 -5.772178579e-02 -2.399581800e-01 -3.872921635e-01 4.00 -2.438779514e-24 -1.117461203e-22 -1.282564535e-22 4.02 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.04 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.06 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.08 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.10 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.12 0.000000000e+00 0.000000000e+00 0.000000000e+00 4.14 0.000000000e+00 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