# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2009--Mendelev-M-I-Asta-M-Rahman-M-J-Hoyt-J-J--Al-Mg # implementation = 2009--Mendelev-M-I--Al-Mg--LAMMPS--ipr1 # composition = AlMg2 # 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 1.739686699e+11 1.12 9.818003201e+10 1.14 5.570925044e+10 1.16 3.177068765e+10 1.18 1.820411362e+10 1.20 1.047615382e+10 1.22 6.053045171e+09 1.24 3.510214034e+09 1.26 2.042292275e+09 1.28 1.191684009e+09 1.30 6.971082575e+08 1.32 4.086710055e+08 1.34 2.400040188e+08 1.36 1.411459519e+08 1.38 8.309034243e+07 1.40 4.894156499e+07 1.42 2.883030453e+07 1.44 1.697660867e+07 1.46 9.987514019e+06 1.48 5.867271876e+06 1.50 3.439920594e+06 1.52 2.011638730e+06 1.54 1.172703394e+06 1.56 6.810682480e+05 1.58 3.937861451e+05 1.60 2.265004270e+05 1.62 1.294943308e+05 1.64 7.351847232e+04 1.66 4.140461788e+04 1.68 2.310453952e+04 1.70 1.275784512e+04 1.72 6.961049294e+03 1.74 3.747516104e+03 1.76 1.987679295e+03 1.78 1.037407908e+03 1.80 5.325079077e+02 1.82 2.691485777e+02 1.84 1.346308098e+02 1.86 6.752488238e+01 1.88 3.489785119e+01 1.90 1.943671408e+01 1.92 1.225104267e+01 1.94 8.903094443e+00 1.96 7.253885624e+00 1.98 6.317548098e+00 2.00 5.665756770e+00 2.02 5.126678056e+00 2.04 4.638729487e+00 2.06 4.183314710e+00 2.08 3.756174591e+00 2.10 3.356071730e+00 2.12 2.981103448e+00 2.14 2.628165537e+00 2.16 2.293982738e+00 2.18 1.976348030e+00 2.20 1.674270731e+00 2.22 1.387468549e+00 2.24 1.115604829e+00 2.26 8.581618193e-01 2.28 6.159851440e-01 2.30 3.881621612e-01 2.32 1.735607099e-01 2.34 -2.889473831e-02 2.36 -2.200860150e-01 2.38 -4.002754657e-01 2.40 -5.693072258e-01 2.42 -7.258652890e-01 2.44 -8.688357738e-01 2.46 -9.982671618e-01 2.48 -1.114335936e+00 2.50 -1.217352870e+00 2.52 -1.307719236e+00 2.54 -1.385982448e+00 2.56 -1.452957438e+00 2.58 -1.509723192e+00 2.60 -1.557582128e+00 2.62 -1.597996869e+00 2.64 -1.632401004e+00 2.66 -1.661996395e+00 2.68 -1.687634589e+00 2.70 -1.709898319e+00 2.72 -1.729176796e+00 2.74 -1.745690919e+00 2.76 -1.759524777e+00 2.78 -1.770663528e+00 2.80 -1.779034624e+00 2.82 -1.784548621e+00 2.84 -1.787140514e+00 2.86 -1.786819402e+00 2.88 -1.783704416e+00 2.90 -1.778033142e+00 2.92 -1.770144327e+00 2.94 -1.760516923e+00 2.96 -1.749764389e+00 2.98 -1.738382288e+00 3.00 -1.726670166e+00 3.02 -1.714779800e+00 3.04 -1.702728962e+00 3.06 -1.690390948e+00 3.08 -1.677546308e+00 3.10 -1.663932846e+00 3.12 -1.649287476e+00 3.14 -1.633380415e+00 3.16 -1.616042028e+00 3.18 -1.597181975e+00 3.20 -1.576802485e+00 3.22 -1.555004791e+00 3.24 -1.531969149e+00 3.26 -1.507910322e+00 3.28 -1.483058389e+00 3.30 -1.457662770e+00 3.32 -1.431986773e+00 3.34 -1.406296710e+00 3.36 -1.380850579e+00 3.38 -1.355886611e+00 3.40 -1.331611917e+00 3.42 -1.308191420e+00 3.44 -1.285737182e+00 3.46 -1.264298138e+00 3.48 -1.243850177e+00 3.50 -1.224286677e+00 3.52 -1.205414080e+00 3.54 -1.186996958e+00 3.56 -1.168810141e+00 3.58 -1.150647915e+00 3.60 -1.132329946e+00 3.62 -1.113708171e+00 3.64 -1.094674296e+00 3.66 -1.075167410e+00 3.68 -1.055181190e+00 3.70 -1.034757940e+00 3.72 -1.013934403e+00 3.74 -9.927202070e-01 3.76 -9.711045182e-01 3.78 -9.490635630e-01 3.80 -9.265805934e-01 3.82 -9.036578086e-01 3.84 -8.803203751e-01 3.86 -8.566169977e-01 3.88 -8.326169940e-01 3.90 -8.084036203e-01 3.92 -7.840634434e-01 3.94 -7.596745818e-01 3.96 -7.353122549e-01 3.98 -7.110551010e-01 4.00 -6.869805832e-01 4.02 -6.631652253e-01 4.04 -6.396873022e-01 4.06 -6.166248162e-01 4.08 -5.940530875e-01 4.10 -5.720427247e-01 4.12 -5.506570858e-01 4.14 -5.299508950e-01 4.16 -5.099686376e-01 4.18 -4.907435121e-01 4.20 -4.722972001e-01 4.22 -4.546390778e-01 4.24 -4.377670190e-01 4.26 -4.216675552e-01 4.28 -4.063170232e-01 4.30 -3.916831775e-01 4.32 -3.777257701e-01 4.34 -3.644004076e-01 4.36 -3.516577998e-01 4.38 -3.394482575e-01 4.40 -3.277239347e-01 4.42 -3.164369376e-01 4.44 -3.055468422e-01 4.46 -2.950203463e-01 4.48 -2.848255544e-01 4.50 -2.749442623e-01 4.52 -2.653657879e-01 4.54 -2.560786618e-01 4.56 -2.470786282e-01 4.58 -2.383638973e-01 4.60 -2.299270252e-01 4.62 -2.217450909e-01 4.64 -2.137886833e-01 4.66 -2.060349938e-01 4.68 -1.984736520e-01 4.70 -1.911000814e-01 4.72 -1.838348097e-01 4.74 -1.764903869e-01 4.76 -1.691406836e-01 4.78 -1.619718171e-01 4.80 -1.551219100e-01 4.82 -1.486884786e-01 4.84 -1.427361825e-01 4.86 -1.374840231e-01 4.88 -1.327693088e-01 4.90 -1.281013894e-01 4.92 -1.231291182e-01 4.94 -1.176155937e-01 4.96 -1.114150057e-01 4.98 -1.044532213e-01 5.00 -9.671161402e-02 5.02 -8.821334519e-02 5.04 -7.898582848e-02 5.06 -6.916147485e-02 5.08 -5.886996359e-02 5.10 -4.834161432e-02 5.12 -3.779894003e-02 5.14 -2.741741336e-02 5.16 -1.733480654e-02 5.18 -7.659081234e-03 5.20 1.524950451e-03 5.22 1.015114376e-02 5.24 1.817443251e-02 5.26 2.557081909e-02 5.28 3.233325856e-02 5.30 3.846797951e-02 5.32 4.399142331e-02 5.34 4.892803795e-02 5.36 5.330847277e-02 5.38 5.716773514e-02 5.40 6.054361654e-02 5.42 6.347540403e-02 5.44 6.600269806e-02 5.46 6.816433664e-02 5.48 6.999742033e-02 5.50 7.153640636e-02 5.52 7.281224276e-02 5.54 7.385151589e-02 5.56 7.467558723e-02 5.58 7.529969701e-02 5.60 7.573201438e-02 5.62 7.597312748e-02 5.64 7.602067411e-02 5.66 7.587434691e-02 5.68 7.553603752e-02 5.70 7.500953297e-02 5.72 7.430025669e-02 5.74 7.341504684e-02 5.76 7.236196533e-02 5.78 7.115013173e-02 5.80 6.978957681e-02 5.82 6.829111113e-02 5.84 6.666620454e-02 5.86 6.492687293e-02 5.88 6.308556928e-02 5.90 6.115507612e-02 5.92 5.914839728e-02 5.94 5.707864700e-02 5.96 5.495893495e-02 5.98 5.280224612e-02 6.00 5.062131485e-02