Model name: model_name=EAM_Dynamo_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.8599988371133813 cohesive_energy=4.2806306056621946 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: 0.01496096053660905 Energy: -0.06090155463788949 Energy: -0.05470590745047738 Energy: -3.0396250860912795 Energy: -0.054705907450267426 Energy: -0.06090155463880802 Energy: 0.01496096053660905 Energy: -0.060901554636970966 Energy: -0.054705907450267426 Energy: 0.8293850184379182 Energy: 0.3060143647038072 Energy: -0.32674450631853746 Energy: -0.05402062661123051 Energy: 0.3051007183939261 Energy: -0.05402062661123051 Energy: -0.3267445063199284 Energy: 0.30601436470404336 Energy: -0.32674450631924606 Energy: -0.05402062661123051 Energy: 0.3051007183939261 Energy: 0.01496096053660905 Energy: -0.06090155463673477 Energy: -0.05470590745003124 Energy: -3.0523812201362914 Energy: -0.054705907450267426 Energy: -0.06090155463767954 Energy: 0.01496096053660905 Energy: -0.06090155463720716 Energy: -0.054705907450267426 Energy: 0.8293850184376819 Energy: 0.30601436470427956 Energy: -0.3267445063187737 Energy: -0.054020626611466706 Energy: 0.3051007183939261 Energy: -0.05402062661123051 Energy: -0.32674450631900986 Energy: 0.30601436470404336 Energy: -0.3267445063199284 Energy: -0.05402062661123051 Energy: 0.3051007183936899 Energy: 0.01496096053660905 Energy: -0.060901554638125674 Energy: -0.054705907450267426 Energy: 0.8293850184376819 Energy: -0.054705907450267426 Energy: -0.06090155463880802 Energy: 0.01496096053660905 Energy: -0.060901554639280396 Energy: -0.054705907450267426 Energy: 0.8293850184381544 Energy: 0.30601436470404336 Energy: -0.32674450631853746 Energy: -0.054020626611466706 Energy: 0.3051007183939261 Energy: -0.05402062661123051 Energy: -0.32674450631945595 Energy: 0.30601436470357096 Energy: -0.32674450631924606 Energy: -0.05402062661099431 Energy: 0.3051007183939261 Energy: 0.01496096053660905 Energy: -0.06090155463652482 Energy: -0.05470590745003124 Energy: -2.9440883548616608 Energy: -0.054705907450267426 Energy: -0.06090155463767954 Energy: 0.01496096053660905 Energy: -0.06090155463788949 Energy: -0.054705907450267426 Energy: 0.8293850184376819 minimum gb energy = -3.0523812201362914 eV minimum distance = 2.33056081235251 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -4.259536947132006 Energy: -4.81682503765811 Energy: -4.5649425796788 Energy: -4.7205281410954845 Energy: -4.501591397205689 Energy: -4.817214998946964 Energy: -4.259536947129743 Energy: -4.816825037657544 Energy: -4.564942579678235 Energy: -4.718566568921125 Energy: -4.314213417168968 Energy: -4.494747856699699 Energy: -4.836499098163046 Energy: -5.19822369974724 Energy: -4.92798843345254 Energy: -5.226463597204189 Energy: -4.314213417220446 Energy: -4.494747856681597 Energy: -4.83649909816248 Energy: -5.1983053749193076 Energy: -4.975973090333917 Energy: -5.0714897944538375 Energy: -4.6381617331824465 Energy: -4.60425700996999 Energy: -4.581609062559987 Energy: -4.9712587902477114 Energy: -4.975973090333917 Energy: -5.071489758359864 Energy: -4.638161733179052 Energy: -4.604257009936099 Energy: -4.661540191847236 Energy: -4.626721720525041 Energy: 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Energy: -4.922592179024147 Energy: -4.725806036876983 Energy: -5.432788773035004 Energy: -4.9869924747153425 Energy: -4.890623977151944 Energy: -4.610466571444936 Energy: -4.64873252661153 Energy: -4.889895624058171 Energy: -5.333372143572678 Energy: -4.986992474722697 Energy: -4.890623977154208 Energy: -4.610466571444371 Energy: -4.64873252661153 Energy: -4.604257009927048 Energy: -4.651962471322029 Energy: -4.944754487811529 Energy: -4.791300108847957 Energy: -4.523832819617165 Energy: -4.587638103726611 Energy: -4.6042570099813025 Energy: -4.651962471322029 Energy: -4.935535995695409 Energy: -4.791300108848523 Energy: -5.165869930443921 Energy: -4.756365913751062 Energy: -4.526852202226022 Energy: -4.305826754805468 Energy: -5.10843796354611 Energy: -4.84012528064116 Energy: -5.165869914951918 Energy: -4.756365913751062 Energy: -4.52685220222885 Energy: -4.305826754806599 Energy: -4.263017926242089 Energy: -4.5015913980951145 Energy: -4.817214998952056 Energy: -4.259536947128612 Energy: -4.81682503765811 Energy: -4.56494257967767 Energy: -4.263017926241523 Energy: -4.501591397270692 Energy: -4.81721499895149 Energy: -4.259536947131441 Energy: -5.198757446453067 Energy: -4.927988433707564 Energy: -5.22646359745582 Energy: -4.314213417111885 Energy: -4.494747856717235 Energy: -4.836499098160217 Energy: -5.198758792371849 Energy: -4.927988433748861 Energy: -5.226463595217779 Energy: -4.314213417104531 Energy: -4.604257009976777 Energy: -4.581609062562249 Energy: -4.9712587945552675 Energy: -4.975973090333351 Energy: -5.071489862605554 Energy: -4.638161733180183 Energy: -4.6042570099185625 Energy: -4.581609062561117 Energy: -4.971258804275234 Energy: -4.9759730903327855 Energy: -4.971853967523644 Energy: -5.2539082752533135 Energy: -4.889913798859699 Energy: -4.661540191846105 Energy: -4.626721720542013 Energy: -4.887181444668415 Energy: -4.971853967523644 Energy: -5.253907816850829 Energy: -4.889913798858568 Energy: -4.661540191845539 minimum gb energy = -5.631635669958353 eV minimum distance = 2.3367766139053 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: -3.1907614359097516 Energy: -2.7203716120330586 Energy: -2.760575900170658 Energy: -3.029681926027685 Energy: -2.855057656032156 Energy: -2.6594003850016086 Energy: -3.1907614359086476 Energy: -2.7203716120327823 Energy: -2.7605759001736945 Energy: -3.2722302026002907 Energy: -2.918688918049995 Energy: -3.0917741269389287 Energy: -2.9264501387581903 Energy: -2.893129382260674 Energy: -3.435261962049496 Energy: -3.2839153212351766 Energy: -2.9186889180486157 Energy: -3.060522688836827 Energy: -2.926450138759847 Energy: -2.864962186047005 Energy: -3.4327611590639093 Energy: -3.229175384319227 Energy: -3.2054820054421285 Energy: -3.316082812530956 Energy: -3.0880751499083097 Energy: -2.9334897110495244 Energy: -3.4327611590622533 Energy: -3.2291753843183986 Energy: -3.2054820054396442 Energy: 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