Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential2_Fe__MO_769582363439_005 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.6583648025989532 cohesive_energy=4.00235933894197 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 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: 0.017065279269476586 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.017065279269476586 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926806514 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926806514 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049230553 Energy: 0.06519813135242267 Energy: 0.48679033031666036 Energy: -0.11017866602091522 Energy: -0.11017866601809236 Energy: -0.6876243774816267 Energy: -0.1101786660195038 Energy: -0.1101786660195038 Energy: -0.6876120636365135 Energy: -0.1101786660195038 Energy: -0.11017866602091522 Energy: -0.68269802886426 Energy: 0.06519813135242267 Energy: 0.06216824049371697 Energy: 0.022039480379417 Energy: 0.06519813135242267 Energy: 0.06216824049371697 Energy: 0.022039480379417 Energy: 0.06519813135242267 Energy: 0.06216824049371697 Energy: 0.022039480379417 Energy: 0.06519813135242267 Energy: 0.01706527926524225 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926524225 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926524225 Energy: 0.06779524741355678 Energy: 0.06779524741355678 Energy: 0.01706527926524225 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: 0.022039480379417 Energy: 0.06216824049371697 Energy: 0.06519813135242267 Energy: -0.685636211440331 Energy: -0.11017866601809236 Energy: -0.11017866601809236 Energy: -0.7320161878333622 Energy: -0.11017866602091522 Energy: -0.1101786660195038 Energy: -0.7314431416470475 Energy: -0.11017866602232669 Energy: -0.11017866602232669 Energy: -0.6860275371752433 minimum gb energy = -0.7320161878333622 eV minimum distance = 2.35076649601719 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -1.8196508046164748 Energy: -2.2834909966499626 Energy: -2.5627501168399287 Energy: -1.7168946083350136 Energy: -2.2834926726018314 Energy: -2.293878588973871 Energy: -1.819625383068858 Energy: -2.2834925308707765 Energy: -2.28039263630077 Energy: -1.7174317774697052 Energy: -3.030310578181702 Energy: -2.5505353219850315 Energy: -3.138004775296013 Energy: -3.0303111144383026 Energy: -2.5505366442131314 Energy: -3.148659985242879 Energy: -3.030312896546979 Energy: -2.550546138385811 Energy: -3.148834714385799 Energy: -3.030306339304269 Energy: -3.0934559017703376 Energy: -2.0776136017179097 Energy: -3.0101029904760623 Energy: -3.639578136100345 Energy: -2.0776135851809214 Energy: -3.0112734784397053 Energy: -3.096787159328875 Energy: -2.0776136504320446 Energy: -2.9738440248702758 Energy: -3.639508109333518 Energy: -1.9459867374022535 Energy: -3.2775372696861136 Energy: 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minimum gb energy = -2.5482895090105355 eV minimum distance = 2.21992548411463 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: -1.1680541247383447 Energy: -0.6994540449759615 Energy: -0.7225270435541495 Energy: -1.1680541251170147 Energy: -0.760253990675003 Energy: -0.7250768166651419 Energy: -1.1680541248001943 Energy: -1.2229225265599357 Energy: -0.7260472574988472 Energy: -1.168054124947548 Energy: -0.7121934992271057 Energy: -1.9576459573480296 Energy: -1.6276736325560626 Energy: -0.4852087951563996 Energy: -1.9576459577370189 Energy: -1.6276736325877579 Energy: -0.49637208549582046 Energy: -1.9576459578777388 Energy: -1.627673632887625 Energy: -0.48337877108309746 Energy: -1.4447807519686828 Energy: -0.7577953775620414 Energy: -1.938556891942633 Energy: -1.4447274668464485 Energy: -0.7577953775605673 Energy: -1.9385568684335368 Energy: -1.4449264866318245 Energy: -0.7577953775620414 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