# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2012--Schopf-D-Brommer-P-Frigan-B-Trebin-H-R--Al-Mn-Pd # implementation = EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000 # composition = MnPd2 # 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 nan 1.26 nan 1.28 nan 1.30 nan 1.32 nan 1.34 nan 1.36 nan 1.38 nan 1.40 nan 1.42 nan 1.44 -4.056498315e+02 1.46 -3.651603017e+02 1.48 -3.274381118e+02 1.50 -2.923767187e+02 1.52 -2.598786460e+02 1.54 -2.298889541e+02 1.56 -2.023610161e+02 1.58 -1.772179394e+02 1.60 -1.543514349e+02 1.62 -1.336435333e+02 1.64 -1.149865730e+02 1.66 -9.828307218e+01 1.68 -8.343159392e+01 1.70 -7.031945915e+01 1.72 -5.882517247e+01 1.74 -4.882362491e+01 1.76 -4.018981513e+01 1.78 -3.280129637e+01 1.80 -2.653893210e+01 1.82 -2.128488975e+01 1.84 -1.692013893e+01 1.86 -1.332261930e+01 1.88 -1.036741461e+01 1.90 -7.928952828e+00 1.92 -5.882917348e+00 1.94 -4.133277371e+00 1.96 -2.661813441e+00 1.98 -1.454858924e+00 2.00 -4.987677188e-01 2.02 2.217180116e-01 2.04 7.236281343e-01 2.06 1.026145593e+00 2.08 1.151088165e+00 2.10 1.122398886e+00 2.12 9.652797629e-01 2.14 7.055958809e-01 2.16 3.696611306e-01 2.18 -1.573119935e-02 2.20 -4.236584832e-01 2.22 -8.278838693e-01 2.24 -1.205378534e+00 2.26 -1.552510287e+00 2.28 -1.871696568e+00 2.30 -2.164832087e+00 2.32 -2.434303062e+00 2.34 -2.683519649e+00 2.36 -2.916256361e+00 2.38 -3.135000052e+00 2.40 -3.339758485e+00 2.42 -3.528367515e+00 2.44 -3.697809179e+00 2.46 -3.845292283e+00 2.48 -3.968865590e+00 2.50 -4.067573213e+00 2.52 -4.141446234e+00 2.54 -4.191848708e+00 2.56 -4.221564825e+00 2.58 -4.234170953e+00 2.60 -4.232666157e+00 2.62 -4.218377087e+00 2.64 -4.191019728e+00 2.66 -4.149676987e+00 2.68 -4.093693003e+00 2.70 -4.022973977e+00 2.72 -3.937883964e+00 2.74 -3.839008875e+00 2.76 -3.726840911e+00 2.78 -3.601819928e+00 2.80 -3.464503390e+00 2.82 -3.315732211e+00 2.84 -3.156758665e+00 2.86 -2.989285603e+00 2.88 -2.815304922e+00 2.90 -2.636735571e+00 2.92 -2.455022466e+00 2.94 -2.270929874e+00 2.96 -2.084608148e+00 2.98 -1.895799175e+00 3.00 -1.703927054e+00 3.02 -1.508595075e+00 3.04 -1.307227141e+00 3.06 -1.100921032e+00 3.08 -8.817181776e-01 3.10 -6.046810572e-01 3.12 -4.639423792e-01 3.14 -4.867820461e-01 3.16 -5.060005575e-01 3.18 -5.217697128e-01 3.20 -5.342640030e-01 3.22 -5.436595820e-01 3.24 -5.501308841e-01 3.26 -5.538479516e-01 3.28 -5.549714200e-01 3.30 -5.536435563e-01 3.32 -5.499803515e-01 3.34 -5.440668993e-01 3.36 -5.359581630e-01 3.38 -5.257022376e-01 3.40 -5.133831599e-01 3.42 -4.991811280e-01 3.44 -4.834316259e-01 3.46 -4.666559582e-01 3.48 -4.495218098e-01 3.50 -4.327294045e-01 3.52 -4.169150760e-01 3.54 -4.025587299e-01 3.56 -3.899136554e-01 3.58 -3.790359771e-01 3.60 -3.698666244e-01 3.62 -3.622940667e-01 3.64 -3.561880401e-01 3.66 -3.514204588e-01 3.68 -3.478749315e-01 3.70 -3.454330094e-01 3.72 -3.439684428e-01 3.74 -3.433506926e-01 3.76 -3.434476190e-01 3.78 -3.441271617e-01 3.80 -3.452587999e-01 3.82 -3.467145580e-01 3.84 -4.367494032e-01 3.86 -5.195164012e-01 3.88 -5.931829627e-01 3.90 -6.567583518e-01 3.92 -7.101370595e-01 3.94 -7.536491275e-01 3.96 -7.881903270e-01 3.98 -8.151812580e-01 4.00 -8.363056671e-01 4.02 -8.534800446e-01 4.04 -8.687693307e-01 4.06 -8.841631712e-01 4.08 -9.013065343e-01 4.10 -9.212240434e-01 4.12 -9.442076565e-01 4.14 -9.698991284e-01 4.16 -9.974916409e-01 4.18 -1.026123692e+00 4.20 -1.055005249e+00 4.22 -1.083456063e+00 4.24 -1.111042929e+00 4.26 -1.137438653e+00 4.28 -1.162318330e+00 4.30 -1.185545041e+00 4.32 -1.207138916e+00 4.34 -1.227105156e+00 4.36 -1.245468043e+00 4.38 -1.262255843e+00 4.40 -1.277493896e+00 4.42 -1.291218453e+00 4.44 -1.303489048e+00 4.46 -1.314367205e+00 4.48 -1.323910224e+00 4.50 -1.332166406e+00 4.52 -1.339186714e+00 4.54 -1.345020523e+00 4.56 -1.349711874e+00 4.58 -1.353300585e+00 4.60 -1.355824222e+00 4.62 -1.357319104e+00 4.64 -1.357818844e+00 4.66 -1.357353619e+00 4.68 -1.355951478e+00 4.70 -1.353637828e+00 4.72 -1.350436585e+00 4.74 -1.346369297e+00 4.76 -1.341456674e+00 4.78 -1.335718701e+00 4.80 -1.329173078e+00 4.82 -1.321837184e+00 4.84 -1.313728009e+00 4.86 -1.304861741e+00 4.88 -1.295251804e+00 4.90 -1.284913317e+00 4.92 -1.273865424e+00 4.94 -1.262127177e+00 4.96 -1.249715735e+00 4.98 -1.236649994e+00 5.00 -1.222950056e+00 5.02 -1.208633079e+00 5.04 -1.193715076e+00 5.06 -1.178212858e+00 5.08 -1.162142426e+00 5.10 -1.145514750e+00 5.12 -1.128339379e+00 5.14 -1.110625902e+00 5.16 -1.092382606e+00 5.18 -1.073613423e+00 5.20 -1.054317919e+00 5.22 -1.034495113e+00 5.24 -1.014141593e+00 5.26 -9.932558706e-01 5.28 -9.718316096e-01 5.30 -9.498564235e-01 5.32 -9.273158758e-01 5.34 -9.041940900e-01 5.36 -8.804740248e-01 5.38 -8.561309421e-01 5.40 -8.311348551e-01 5.42 -8.054661069e-01 5.44 -7.791229036e-01 5.46 -7.521077148e-01 5.48 -7.244168790e-01 5.50 -6.960652995e-01 5.52 -6.670819100e-01 5.54 -6.374818900e-01 5.56 -6.073695842e-01 5.58 -5.768699297e-01 5.60 -5.459599975e-01 5.62 -5.145768443e-01 5.64 -4.827176362e-01 5.66 -4.503384597e-01 5.68 -4.174454008e-01 5.70 -3.841930517e-01 5.72 -3.507329697e-01 5.74 -3.173652624e-01 5.76 -2.846038656e-01 5.78 -2.529348480e-01 5.80 -2.227890912e-01 5.82 -1.945918730e-01 5.84 -1.686742101e-01 5.86 -1.451828857e-01 5.88 -1.240969892e-01 5.90 -1.052624346e-01 5.92 -8.852843137e-02 5.94 -7.370573689e-02 5.96 -6.059220608e-02 5.98 -4.899431422e-02 6.00 -3.873986447e-02