# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 1995--Angelo-J-E-Moody-N-R-Baskes-M-I--Ni-Al-H # implementation = EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005 # composition = Al3H # 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 nan nan nan 0.88 nan nan nan 0.90 nan nan nan 0.92 nan nan nan 0.94 nan nan nan 0.96 nan nan nan 0.98 nan nan nan 1.00 nan nan nan 1.02 nan nan nan 1.04 nan nan nan 1.06 nan nan nan 1.08 nan nan nan 1.10 nan nan nan 1.12 nan nan nan 1.14 nan nan nan 1.16 nan nan nan 1.18 nan nan nan 1.20 nan nan nan 1.22 nan nan nan 1.24 nan nan nan 1.26 nan nan nan 1.28 nan nan nan 1.30 nan nan nan 1.32 nan nan nan 1.34 nan nan nan 1.36 nan nan nan 1.38 nan nan nan 1.40 nan nan nan 1.42 nan nan nan 1.44 nan nan nan 1.46 nan nan nan 1.48 1.690439634e+01 nan nan 1.50 1.527145179e+01 nan nan 1.52 1.378185717e+01 nan nan 1.54 1.242679389e+01 nan nan 1.56 1.119273136e+01 nan nan 1.58 1.006530473e+01 nan nan 1.60 9.032062935e+00 1.803892763e+01 nan 1.62 8.084198984e+00 1.641803772e+01 nan 1.64 7.215471594e+00 1.493340427e+01 1.862910580e+01 1.66 6.420624606e+00 1.357442617e+01 1.703093083e+01 1.68 5.691884050e+00 1.232845773e+01 1.556197015e+01 1.70 5.021417943e+00 1.118585337e+01 1.421062670e+01 1.72 4.401708845e+00 1.013911243e+01 1.296369755e+01 1.74 3.825404018e+00 9.179212782e+00 1.181007892e+01 1.76 3.285563333e+00 8.296717562e+00 1.074338051e+01 1.78 2.776777531e+00 7.482560191e+00 9.758457077e+00 1.80 2.297292188e+00 6.728109881e+00 8.846561750e+00 1.82 1.848129276e+00 6.025680454e+00 7.999103957e+00 1.84 1.428163501e+00 5.369905987e+00 7.210193852e+00 1.86 1.036182735e+00 4.758632828e+00 6.477707792e+00 1.88 6.706964979e-01 4.189149226e+00 5.799095915e+00 1.90 3.291389835e-01 3.656406413e+00 5.169323037e+00 1.92 9.100563349e-03 3.155532037e+00 4.583382418e+00 1.94 -2.910577805e-01 2.683052187e+00 4.036855380e+00 1.96 -5.714433908e-01 2.238313266e+00 3.526207407e+00 1.98 -8.309019283e-01 1.822605558e+00 3.048466906e+00 2.00 -1.068834998e+00 1.434952404e+00 2.600087576e+00 2.02 -1.284740341e+00 1.072958148e+00 2.177150384e+00 2.04 -1.478951636e+00 7.342671516e-01 1.775875923e+00 2.06 -1.654895362e+00 4.165963783e-01 1.393161651e+00 2.08 -1.815304655e+00 1.177463487e-01 1.027765791e+00 2.10 -1.961037656e+00 -1.642688641e-01 6.814943092e-01 2.12 -2.092740513e+00 -4.308403601e-01 3.570260693e-01 2.14 -2.210985280e+00 -6.820856209e-01 5.429092986e-02 2.16 -2.316265658e+00 -9.166491084e-01 -2.276795640e-01 2.18 -2.408998488e+00 -1.133315619e+00 -4.896660684e-01 2.20 -2.489544175e+00 -1.331690469e+00 -7.322047294e-01 2.22 -2.558287243e+00 -1.512275598e+00 -9.555452647e-01 2.24 -2.615849860e+00 -1.677524431e+00 -1.159644859e+00 2.26 -2.663500601e+00 -1.829805417e+00 -1.344414248e+00 2.28 -2.703462134e+00 -1.970321564e+00 -1.510757114e+00 2.30 -2.738069549e+00 -2.099714657e+00 -1.661762042e+00 2.32 -2.768591844e+00 -2.218489982e+00 -1.800467453e+00 2.34 -2.795661142e+00 -2.327035505e+00 -1.928068608e+00 2.36 -2.819369146e+00 -2.425604368e+00 -2.045405798e+00 2.38 -2.839364949e+00 -2.514241752e+00 -2.153339326e+00 2.40 -2.855522622e+00 -2.592672672e+00 -2.252729936e+00 2.42 -2.867995165e+00 -2.660502067e+00 -2.344360982e+00 2.44 -2.876851552e+00 -2.717846380e+00 -2.428761155e+00 2.46 -2.881928043e+00 -2.765520392e+00 -2.505898485e+00 2.48 -2.882655151e+00 -2.804887415e+00 -2.574951597e+00 2.50 -2.878236525e+00 -2.837275396e+00 -2.634880528e+00 2.52 -2.868188378e+00 -2.863599901e+00 -2.685681761e+00 2.54 -2.852219194e+00 -2.884472902e+00 -2.728372089e+00 2.56 -2.830046881e+00 -2.900367516e+00 -2.764522755e+00 2.58 -2.801551090e+00 -2.911729670e+00 -2.795530308e+00 2.60 -2.767105870e+00 -2.918976349e+00 -2.822138363e+00 2.62 -2.728001526e+00 -2.922483343e+00 -2.844884548e+00 2.64 -2.686392980e+00 -2.922571083e+00 -2.864254680e+00 2.66 -2.644078826e+00 -2.919491545e+00 -2.880668443e+00 2.68 -2.601738435e+00 -2.913421119e+00 -2.894466287e+00 2.70 -2.559716065e+00 -2.904464084e+00 -2.905902042e+00 2.72 -2.518303281e+00 -2.892661874e+00 -2.915124897e+00 2.74 -2.477682210e+00 -2.877982795e+00 -2.922102324e+00 2.76 -2.437848811e+00 -2.860278163e+00 -2.926461773e+00 2.78 -2.398632493e+00 -2.839312343e+00 -2.927456179e+00 2.80 -2.359954753e+00 -2.815059654e+00 -2.924395343e+00 2.82 -2.322026215e+00 -2.788025787e+00 -2.917001362e+00 2.84 -2.285176728e+00 -2.759210940e+00 -2.905106564e+00 2.86 -2.249758789e+00 -2.729749519e+00 -2.888516183e+00 2.88 -2.216113938e+00 -2.700108725e+00 -2.867058665e+00 2.90 -2.184506294e+00 -2.669901677e+00 -2.840702288e+00 2.92 -2.155002817e+00 -2.638729811e+00 -2.809752366e+00 2.94 -2.127307823e+00 -2.606655351e+00 -2.775079938e+00 2.96 -2.100667457e+00 -2.573829818e+00 -2.738121172e+00 2.98 -2.074137313e+00 -2.540352985e+00 -2.700270637e+00 3.00 -2.047200348e+00 -2.506316671e+00 -2.662205590e+00 3.02 -2.019795309e+00 -2.471807748e+00 -2.624212895e+00 3.04 -1.991931894e+00 -2.436910421e+00 -2.586563824e+00 3.06 -1.963611718e+00 -2.401706673e+00 -2.549550147e+00 3.08 -1.934825846e+00 -2.366278004e+00 -2.513479844e+00 3.10 -1.905556685e+00 -2.330706430e+00 -2.478662446e+00 3.12 -1.875781942e+00 -2.295076771e+00 -2.445376272e+00 3.14 -1.845474436e+00 -2.259478132e+00 -2.413804341e+00 3.16 -1.814601980e+00 -2.224006024e+00 -2.383936901e+00 3.18 -1.783130544e+00 -2.188764444e+00 -2.355456817e+00 3.20 -1.751030863e+00 -2.153867915e+00 -2.327718469e+00 3.22 -1.718290087e+00 -2.119443456e+00 -2.300010971e+00 3.24 -1.684929486e+00 -2.085630335e+00 -2.271990433e+00 3.26 -1.651025569e+00 -2.052578634e+00 -2.243633859e+00 3.28 -1.616732429e+00 -2.020441754e+00 -2.214966280e+00 3.30 -1.582267532e+00 -1.989361319e+00 -2.186009940e+00 3.32 -1.547821373e+00 -1.959438063e+00 -2.156783913e+00 3.34 -1.513511268e+00 -1.930683186e+00 -2.127304252e+00 3.36 -1.479363801e+00 -1.902953742e+00 -2.097583884e+00 3.38 -1.445398405e+00 -1.875899641e+00 -2.067632130e+00 3.40 -1.411630322e+00 -1.849005775e+00 -2.037455291e+00 3.42 -1.378076108e+00 -1.821813975e+00 -2.007055698e+00 3.44 -1.344751569e+00 -1.794135047e+00 -1.976432189e+00 3.46 -1.311672258e+00 -1.765940725e+00 -1.945579624e+00 3.48 -1.278853523e+00 -1.737235284e+00 -1.914488875e+00 3.50 -1.246310274e+00 -1.708050826e+00 -1.883146912e+00 3.52 -1.214056847e+00 -1.678461356e+00 -1.851537230e+00 3.54 -1.182107458e+00 -1.648575158e+00 -1.819640939e+00 3.56 -1.150475737e+00 -1.618502691e+00 -1.787438881e+00 3.58 -1.119174996e+00 -1.588319463e+00 -1.754915348e+00 3.60 -1.088217956e+00 -1.558048747e+00 -1.722064370e+00 3.62 -1.057617109e+00 -1.527705253e+00 -1.688899817e+00 3.64 -1.027384097e+00 -1.497310040e+00 -1.655470194e+00 3.66 -9.975305141e-01 -1.466900740e+00 -1.621871095e+00 3.68 -9.680668541e-01 -1.436525864e+00 -1.588254251e+00 3.70 -9.390036819e-01 -1.406245665e+00 -1.554821459e+00 3.72 -9.103505900e-01 -1.376106309e+00 -1.521748609e+00 3.74 -8.821166262e-01 -1.346140850e+00 -1.489170940e+00 3.76 -8.543108130e-01 -1.316363184e+00 -1.457154379e+00 3.78 -8.269406985e-01 -1.286787015e+00 -1.425760928e+00 3.80 -8.000139196e-01 -1.257424233e+00 -1.395045466e+00 3.82 -7.735379684e-01 -1.228287243e+00 -1.365057786e+00 3.84 -7.475185043e-01 -1.199387996e+00 -1.335829240e+00 3.86 -7.219615418e-01 -1.170738063e+00 -1.307358806e+00 3.88 -6.968734026e-01 -1.142348928e+00 -1.279596529e+00 3.90 -6.722586015e-01 -1.114231534e+00 -1.252431965e+00 3.92 -6.481207567e-01 -1.086396746e+00 -1.225706758e+00 3.94 -6.244651869e-01 -1.058854646e+00 -1.199269450e+00 3.96 -6.012966590e-01 -1.031615421e+00 -1.173043985e+00 3.98 -5.786180870e-01 -1.004688587e+00 -1.147023237e+00 4.00 -5.564318729e-01 -9.780832024e-01 -1.121216746e+00 4.02 -5.347416889e-01 -9.518083304e-01 -1.095634209e+00 4.04 -5.135526454e-01 -9.258721838e-01 -1.070285234e+00 4.06 -4.928693371e-01 -9.002825415e-01 -1.045179072e+00 4.08 -4.726961473e-01 -8.750473827e-01 -1.020324585e+00 4.10 -4.530367930e-01 -8.501737622e-01 -9.957305875e-01 4.12 -4.337987999e-01 -8.256678529e-01 -9.714051166e-01 4.14 -4.148966449e-01 -8.015367724e-01 -9.473562350e-01 4.16 -3.965016157e-01 -7.777865534e-01 -9.235916187e-01 4.18 -3.787517609e-01 -7.544221271e-01 -9.001180863e-01 4.20 -3.617524474e-01 -7.314487445e-01 -8.769427414e-01 4.22 -3.455815672e-01 -7.088723031e-01 -8.540720216e-01 4.24 -3.302944040e-01 -6.866973813e-01 -8.315113496e-01 4.26 -3.160155145e-01 -6.649279044e-01 -8.092666201e-01 4.28 -3.026940018e-01 -6.435674668e-01 -7.873432385e-01 4.30 -2.900524526e-01 -6.226208336e-01 -7.657452909e-01 4.32 -2.778995580e-01 -6.020927076e-01 -7.444768013e-01 4.34 -2.661191039e-01 -5.819878161e-01 -7.235423726e-01 4.36 -2.546579337e-01 -5.623102959e-01 -7.029452462e-01 4.38 -2.435133206e-01 -5.430629549e-01 -6.826876220e-01 4.40 -2.327089238e-01 -5.241448214e-01 -6.627714834e-01 4.42 -2.222887271e-01 -5.055703807e-01 -6.432003715e-01 4.44 -2.122998564e-01 -4.874487457e-01 -6.239757593e-01 4.46 -2.027715384e-01 -4.698648991e-01 -6.050980558e-01 4.48 -1.936933660e-01 -4.528839766e-01 -5.865671444e-01 4.50 -1.849976696e-01 -4.365548001e-01 -5.683833644e-01 4.52 -1.765870335e-01 -4.209142008e-01 -5.505478604e-01 4.54 -1.683443853e-01 -4.060663163e-01 -5.330608688e-01 4.56 -1.602127788e-01 -3.918939518e-01 -5.159217784e-01 4.58 -1.521991911e-01 -3.782143674e-01 -4.991286640e-01 4.60 -1.443387460e-01 -3.648899354e-01 -4.826537797e-01 4.62 -1.366643603e-01 -3.517821046e-01 -4.663345934e-01 4.64 -1.292030938e-01 -3.388747285e-01 -4.502652202e-01 4.66 -1.219769955e-01 -3.261920302e-01 -4.345685312e-01 4.68 -1.150039001e-01 -3.137695641e-01 -4.193404359e-01 4.70 -1.082981008e-01 -3.016461726e-01 -4.046539197e-01 4.72 -1.018708993e-01 -2.898547590e-01 -3.905621560e-01 4.74 -9.573102514e-02 -2.784142193e-01 -3.771076420e-01 4.76 -8.988490782e-02 -2.673607356e-01 -3.644299121e-01 4.78 -8.433677732e-02 -2.566227608e-01 -3.523255944e-01 4.80 -7.908855410e-02 -2.460788601e-01 -3.405107768e-01 4.82 -7.413948386e-02 -2.356191666e-01 -3.287629481e-01 4.84 -6.948547165e-02 -2.251730878e-01 -3.169121491e-01 4.86 -6.511809846e-02 -2.147132663e-01 -3.048331981e-01 4.88 -6.102339038e-02 -2.042340478e-01 -2.924410055e-01 4.90 -5.718061174e-02 -1.937377807e-01 -2.796805330e-01 4.92 -5.356172671e-02 -1.832322209e-01 -2.665185338e-01 4.94 -5.013268813e-02 -1.727295318e-01 -2.529452661e-01 4.96 -4.685793725e-02 -1.622396487e-01 -2.389730316e-01 4.98 -4.370812771e-02 -1.518080797e-01 -2.247231276e-01 5.00 -4.066676215e-02 -1.415035766e-01 -2.103578927e-01 5.02 -3.772867233e-02 -1.313831146e-01 -1.960137638e-01 5.04 -3.489271586e-02 -1.214935152e-01 -1.818047389e-01 5.06 -3.215824430e-02 -1.118730550e-01 -1.678140238e-01 5.08 -2.952478855e-02 -1.025528898e-01 -1.541189494e-01 5.10 -2.699210823e-02 -9.355831641e-02 -1.407949675e-01 5.12 -2.456024249e-02 -8.490989050e-02 -1.279035661e-01 5.14 -2.222955912e-02 -7.662441556e-02 -1.154947396e-01 5.16 -2.000080122e-02 -6.871581720e-02 -1.036091630e-01 5.18 -1.787513105e-02 -6.119591280e-02 -9.228010054e-02 5.20 -1.585416936e-02 -5.407508296e-02 -8.153507112e-02 5.22 -1.394002793e-02 -4.736284779e-02 -7.139728813e-02 5.24 -1.213533136e-02 -4.106834467e-02 -6.188687868e-02 5.26 -1.044322226e-02 -3.520069770e-02 -5.302187803e-02 5.28 -8.867341442e-03 -2.976925972e-02 -4.481897935e-02 5.30 -7.411770945e-03 -2.478369517e-02 -3.729399955e-02 5.32 -6.080923174e-03 -2.025385726e-02 -3.046199806e-02 5.34 -4.879353486e-03 -1.618939304e-02 -2.433695496e-02 5.36 -3.811466804e-03 -1.259898786e-02 -1.893088004e-02 5.38 -2.881082627e-03 -9.489140520e-03 -1.425219200e-02 5.40 -2.090818347e-03 -6.862345738e-03 -1.030318248e-02 5.42 -1.441258164e-03 -4.714583939e-03 -7.076412453e-03 5.44 -9.298979638e-04 -3.032092786e-03 -4.549996391e-03 5.46 -5.499296561e-04 -1.787629977e-03 -2.682081171e-03 5.48 -2.890615605e-04 -9.368638858e-04 -1.405467399e-03 5.50 -1.288223976e-04 -4.163300120e-04 -6.245281837e-04 5.52 -4.510306326e-05 -1.453608803e-04 -2.180452690e-04 5.54 -1.087572615e-05 -3.495583497e-05 -5.243397512e-05 5.56 -1.408504850e-06 -4.514988083e-06 -6.772485744e-06 5.58 -5.740004507e-08 -1.835073213e-07 -2.752609878e-07 5.60 -1.981848464e-10 -6.321331527e-10 -9.481997291e-10 5.62 -6.922659727e-14 -2.207960402e-13 -3.311940603e-13 5.64 -7.590473350e-23 -2.412344675e-22 -3.618517012e-22 5.66 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.68 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.70 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.72 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.74 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.76 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.78 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.80 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.82 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.84 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.86 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.88 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.90 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.92 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.94 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.96 0.000000000e+00 0.000000000e+00 0.000000000e+00 5.98 0.000000000e+00 0.000000000e+00 0.000000000e+00 6.00 0.000000000e+00 0.000000000e+00 0.000000000e+00