Model name: model_name=EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pd__MO_169076431435_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Pd Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.889999973773959 cohesive_energy=3.910307508524986 mass=106.42 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.87956586529956e-20, 1.6581566855919598e-19, 2.22704154302634e-19, 2.72382845193072e-19, 3.16391432975784e-19, 3.5569923451433995e-19, 3.9097275528848397e-19, 4.22705465701488e-19, 4.512770816156099e-19, 4.76987210061408e-19, 5.00082586240518e-19, 5.20753869172386e-19, 5.392125461726999e-19, 5.55573973959108e-19, 5.69971133192232e-19, 5.82520982766354e-19, 5.9332285763278195e-19, 6.0246487750638595e-19, 6.10027151218866e-19, 6.16083378895386e-19, 6.20696045424672e-19, 6.239260335188159e-19, 6.25827817183374e-19, 6.264510638939999e-19, 6.25774945354452e-19, 6.23571952482702e-19, 6.19548886954728e-19, 6.13350065557782e-19, 6.04542900600684e-19, 5.92619502090456e-19, 5.76940601550132e-19, 5.567387563720259e-19, 5.310670801654439e-19, 4.98751177457664e-19, 4.58329863158478e-19, 4.0796704284532203e-19, 3.4534116257553e-19, 2.6748659339956796e-19, 1.70574133162176e-19, 4.9621813619930997e-20, -1.019610790287894e-19, -2.92977223646508e-19, -5.353977636071459e-19, -8.45742581966214e-19, -1.247217605090568e-18, -1.7734493161746e-18, -2.47406513645646e-18, -3.42415588041846e-18, -4.74343618615308e-18] Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.015950526060241603 Energy: 0.017344834415814546 Energy: 0.32582732462743547 Energy: 1.0052946242781178 Energy: 0.8182110084842916 Energy: 0.29198104916395407 Energy: 0.01707940265193339 Energy: 0.01707940265193339 Energy: 0.648115341509011 Energy: 0.07709160911403642 Energy: 0.07709160911403642 Energy: 0.07709160911403642 Energy: 0.017062629711349905 Energy: 0.07857403146272124 Energy: 0.0163694938478875 Energy: 0.6503171654109926 Energy: 0.6503171654109926 Energy: 0.32535417609124445 Energy: 0.6473836472604333 Energy: 0.6473836472604333 Energy: 0.07847695856518712 Energy: 0.01834231276313786 Energy: 0.01834231276313786 Energy: 0.3264003742899026 Energy: 1.001486423464239 Energy: 0.6486205881821716 Energy: 0.07773623993132683 Energy: 0.016800269022654322 Energy: 0.016800269022654322 Energy: 0.6509505334060924 Energy: 0.24186132310568353 Energy: 0.24186132310568353 Energy: 0.24186132310568353 Energy: 0.016870485956222783 Energy: 0.07874125999125185 Energy: 0.016283134857748464 Energy: 0.016283134857748464 Energy: 0.016283134857748464 Energy: 0.3260178509377442 Energy: 0.6587253439404317 Energy: 0.07697026228506897 Energy: 0.07697026228506897 minimum gb energy = 0.015950526060241603 eV minimum distance = 2.72388688067468 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.0795691889190142 Energy: 0.9463383993010501