# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Mendelev-M-I-Srolovitz-D-J-Ackland-G-J-Han-S--Al-Fe # implementation = EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 # composition = Al2Fe # 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 C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 nan 0.66 nan 0.68 nan 0.70 nan 0.72 nan 0.74 nan 0.76 nan 0.78 nan 0.80 nan 0.82 nan 0.84 nan 0.86 nan 0.88 nan 0.90 nan 0.92 nan 0.94 nan 0.96 nan 0.98 nan 1.00 nan 1.02 nan 1.04 nan 1.06 nan 1.08 nan 1.10 nan 1.12 nan 1.14 nan 1.16 nan 1.18 nan 1.20 nan 1.22 nan 1.24 1.484616721e+02 1.26 1.331552307e+02 1.28 1.198904254e+02 1.30 1.082859845e+02 1.32 9.805460409e+01 1.34 8.896869485e+01 1.36 8.084886933e+01 1.38 7.355053993e+01 1.40 6.695104797e+01 1.42 6.094938721e+01 1.44 5.547678052e+01 1.46 5.047750168e+01 1.48 4.590164563e+01 1.50 4.170396068e+01 1.52 3.784658764e+01 1.54 3.429840149e+01 1.56 3.103152598e+01 1.58 2.802151544e+01 1.60 2.524806269e+01 1.62 2.269490182e+01 1.64 2.034864371e+01 1.66 1.819678265e+01 1.68 1.622655266e+01 1.70 1.442407795e+01 1.72 1.277523264e+01 1.74 1.126674365e+01 1.76 9.886656563e+00 1.78 8.624187153e+00 1.80 7.470014000e+00 1.82 6.416076446e+00 1.84 5.454934643e+00 1.86 4.578994125e+00 1.88 3.779660503e+00 1.90 3.048904726e+00 1.92 2.379911948e+00 1.94 1.766698695e+00 1.96 1.204014676e+00 1.98 6.874727647e-01 2.00 2.145713343e-01 2.02 -2.172139519e-01 2.04 -6.105009284e-01 2.06 -9.673856782e-01 2.08 -1.289868435e+00 2.10 -1.580026076e+00 2.12 -1.839983470e+00 2.14 -2.071797269e+00 2.16 -2.277452340e+00 2.18 -2.458872849e+00 2.20 -2.617930743e+00 2.22 -2.757095250e+00 2.24 -2.878876968e+00 2.26 -2.984987811e+00 2.28 -3.076873343e+00 2.30 -3.155839913e+00 2.32 -3.222820047e+00 2.34 -3.278391094e+00 2.36 -3.323038911e+00 2.38 -3.357260795e+00 2.40 -3.381659366e+00 2.42 -3.397026752e+00 2.44 -3.404281863e+00 2.46 -3.404345971e+00 2.48 -3.398095822e+00 2.50 -3.386330756e+00 2.52 -3.369737935e+00 2.54 -3.348800599e+00 2.56 -3.323895104e+00 2.58 -3.295427758e+00 2.60 -3.263817002e+00 2.62 -3.229484619e+00 2.64 -3.192890558e+00 2.66 -3.154524694e+00 2.68 -3.114890451e+00 2.70 -3.074483034e+00 2.72 -3.033762207e+00 2.74 -2.993119542e+00 2.76 -2.952840099e+00 2.78 -2.913058663e+00 2.80 -2.873750796e+00 2.82 -2.834828422e+00 2.84 -2.796164849e+00 2.86 -2.757610724e+00 2.88 -2.719013754e+00 2.90 -2.680235472e+00 2.92 -2.641181943e+00 2.94 -2.601820675e+00 2.96 -2.562208481e+00 2.98 -2.522435396e+00 3.00 -2.482556631e+00 3.02 -2.442599343e+00 3.04 -2.402575579e+00 3.06 -2.362493999e+00 3.08 -2.322370150e+00 3.10 -2.282235082e+00 3.12 -2.242142060e+00 3.14 -2.202171041e+00 3.16 -2.162430619e+00 3.18 -2.123057056e+00 3.20 -2.084209988e+00 3.22 -2.046062556e+00 3.24 -2.008768304e+00 3.26 -1.972422789e+00 3.28 -1.937068077e+00 3.30 -1.902726016e+00 3.32 -1.869407652e+00 3.34 -1.837113658e+00 3.36 -1.805834648e+00 3.38 -1.775551537e+00 3.40 -1.746235955e+00 3.42 -1.717850758e+00 3.44 -1.690350654e+00 3.46 -1.663682847e+00 3.48 -1.637787675e+00 3.50 -1.612599497e+00 3.52 -1.588047810e+00 3.54 -1.564058469e+00 3.56 -1.540555037e+00 3.58 -1.517460226e+00 3.60 -1.494697429e+00 3.62 -1.472192298e+00 3.64 -1.449874350e+00 3.66 -1.427678566e+00 3.68 -1.405546867e+00 3.70 -1.383429533e+00 3.72 -1.361286492e+00 3.74 -1.339088443e+00 3.76 -1.316817704e+00 3.78 -1.294468762e+00 3.80 -1.272048417e+00 3.82 -1.249575485e+00 3.84 -1.227079956e+00 3.86 -1.204601537e+00 3.88 -1.182187492e+00 3.90 -1.159889670e+00 3.92 -1.137760662e+00 3.94 -1.115848946e+00 3.96 -1.094192928e+00 3.98 -1.072813782e+00 4.00 -1.051708286e+00 4.02 -1.030856045e+00 4.04 -1.010233010e+00 4.06 -9.898139485e-01 4.08 -9.695739249e-01 4.10 -9.494902269e-01 4.12 -9.295447639e-01 4.14 -9.097270028e-01 4.16 -8.900374817e-01 4.18 -8.704899954e-01 4.20 -8.511016021e-01 4.22 -8.318846279e-01 4.24 -8.128471964e-01 4.26 -7.939941204e-01 4.28 -7.753277308e-01 4.30 -7.568485718e-01 4.32 -7.385560025e-01 4.34 -7.204487213e-01 4.36 -7.025252020e-01 4.38 -6.847840478e-01 4.40 -6.672242797e-01 4.42 -6.498455590e-01 4.44 -6.326483553e-01 4.46 -6.156340599e-01 4.48 -5.988050422e-01 4.50 -5.821646747e-01 4.52 -5.657173343e-01 4.54 -5.494684117e-01 4.56 -5.334241191e-01 4.58 -5.175913670e-01 4.60 -5.019779442e-01 4.62 -4.865921522e-01 4.64 -4.714423590e-01 4.66 -4.565379386e-01 4.68 -4.418874116e-01 4.70 -4.275003852e-01 4.72 -4.133849925e-01 4.74 -3.995507860e-01 4.76 -3.860043698e-01 4.78 -3.727554703e-01 4.80 -3.598082563e-01 4.82 -3.471706472e-01 4.84 -3.348492732e-01 4.86 -3.228425502e-01 4.88 -3.111612681e-01 4.90 -2.998075891e-01 4.92 -2.887666898e-01 4.94 -2.780543327e-01 4.96 -2.676844488e-01 4.98 -2.575305906e-01 5.00 -2.475435173e-01 5.02 -2.379360307e-01 5.04 -2.288466056e-01 5.06 -2.203714041e-01 5.08 -2.126712577e-01 5.10 -2.056202072e-01 5.12 -1.986483514e-01 5.14 -1.915087703e-01 5.16 -1.840939803e-01 5.18 -1.763717272e-01 5.20 -1.683625577e-01 5.22 -1.601913900e-01 5.24 -1.517400120e-01 5.26 -1.429628746e-01 5.28 -1.339772148e-01 5.30 -1.248811929e-01 5.32 -1.157575875e-01 5.34 -1.066773396e-01 5.36 -9.770137203e-02 5.38 -8.886025792e-02 5.40 -8.027570740e-02 5.42 -7.207164692e-02 5.44 -6.432983110e-02 5.46 -5.709989234e-02 5.48 -5.040735426e-02 5.50 -4.425996317e-02 5.52 -3.865262184e-02 5.54 -3.357115035e-02 5.56 -2.899509351e-02 5.58 -2.489970945e-02 5.60 -2.125729153e-02 5.62 -1.803795253e-02 5.64 -1.520992949e-02 5.66 -1.274012104e-02 5.68 -1.059578532e-02 5.70 -8.745402750e-03 5.72 -7.158955150e-03 5.74 -5.808139645e-03 5.76 -4.666466896e-03 5.78 -3.709300981e-03 5.80 -2.913882063e-03 5.82 -2.259283927e-03 5.84 -1.726371823e-03 5.86 -1.297740827e-03 5.88 -9.576579446e-04 5.90 -6.919679240e-04 5.92 -4.880401435e-04 5.94 -3.346842841e-04 5.96 -2.220762265e-04 5.98 -1.416851587e-04 6.00 -8.619833679e-05