Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Al Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=4.03330184519291 cohesive_energy=3.369970499585708 mass=26.981538 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: 0.011837700240182903 Energy: 0.1811238577149276 Energy: 0.1811238577149276 Energy: 0.011837700240182903 Energy: 0.18112385771608883 Energy: 0.1811238577149276 Energy: 0.011837700241344128 Energy: 0.1811238577149276 Energy: 0.1811238577149276 Energy: 0.011837700241344128 Energy: 0.18008493174320253 Energy: 0.012287997635186352 Energy: 0.1814422465283524 Energy: 0.18008493174320253 Energy: 0.012287997636347577 Energy: 0.1814422465283524 Energy: 0.18008493174436377 Energy: 0.012287997636347577 Energy: 0.1814422465283524 Energy: 0.18008493174320253 Energy: 0.4694187104103339 Energy: 0.11095600901791375 Energy: 0.11095600901907496 Energy: 0.4694190523345041 Energy: 0.11095600901907496 Energy: 0.11095600901791375 Energy: 0.46942249027188016 Energy: 0.11095600901791375 Energy: 0.11095600901791375 Energy: 0.46941918088079204 Energy: 0.18008493174204132 Energy: 0.1814422465295136 Energy: 0.012287997634025126 Energy: 0.18008493174088008 Energy: 0.1814422465295136 Energy: 0.012287997634025126 Energy: 0.18008493174204132 Energy: 0.1814422465295136 Energy: 0.012287997636347577 Energy: 0.18008493174204132 Energy: 0.011837700240182903 Energy: 0.1811238577149276 Energy: 0.1811238577149276 Energy: 0.011837700241344128 Energy: 0.1811238577149276 Energy: 0.1811238577149276 Energy: 0.011837700240182903 Energy: 0.1811238577149276 Energy: 0.1811238577149276 Energy: 0.011837700239021677 Energy: 0.18008493174204132 Energy: 0.0122879976328639 Energy: 0.1814422465295136 Energy: 0.18008493174204132 Energy: 0.012287997634025126 Energy: 0.1814422465295136 Energy: 0.18008493174204132 Energy: 0.0122879976328639 Energy: 0.1814422465295136 Energy: 0.18008493174204132 Energy: 0.46941921293264083 Energy: 0.11095600901791375 Energy: 0.4070319300987263 Energy: 0.46942119206104366 Energy: 0.11095600901791375 Energy: 0.11095600901907496 Energy: 0.4694189804239158 Energy: 0.11095600901791375 Energy: 0.34140821733584736 Energy: 0.4694189523219746 minimum gb energy = 0.011837700239021677 eV minimum distance = 2.67018245274749 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.5004411372253663 Energy: 0.6352707744869134 Energy: 0.627953840434174 Energy: 0.47595033183205926 Energy: 0.63527077448606 Energy: 0.6279538404318984 Energy: 0.5004411372253663 Energy: 0.6352707744795179 Energy: 0.6279538404373027 Energy: 0.4759503318312059 Energy: 0.5340908999675213 Energy: 0.479566315777229 Energy: 0.6273561538977313 Energy: 0.5340909000459753 Energy: 0.4795663157709713 Energy: 0.6273561538886291 Energy: 0.5340909000275125 Energy: 0.47956631577808234 Energy: 0.627356153893749 Energy: 0.5340909000076017 Energy: 0.5765374175115785 Energy: 0.6218818127598715 Energy: 0.6684396715618142 Energy: 0.5247732826214139 Energy: 0.6218818127630004 Energy: 0.6684396715640897 Energy: 0.5765374175053465 Energy: 0.6218818127675256 Energy: 0.6684396715712007 Energy: 0.5247732825955556 Energy: 0.6842478797496586 Energy: 0.6474041544029793 Energy: 0.4485957792261208 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0.6352707744863445 Energy: 0.6279538404310452 Energy: 0.47401930808863546 Energy: 0.6352707744798022 Energy: 0.6279538404333206 Energy: 0.47404051826832333 Energy: 0.5340908997485795 Energy: 0.4795663157741002 Energy: 0.6273561538997223 Energy: 0.5340908997446231 Energy: 0.4795663157698336 Energy: 0.627356153889198 Energy: 0.534090899801201 Energy: 0.479566315775238 Energy: 0.6273561538940334 Energy: 0.5340908997565438 Energy: 0.5617643462243718 Energy: 0.6218818127610093 Energy: 0.6684396715629519 Energy: 0.545403554109669 Energy: 0.6218818127604404 Energy: 0.6684396715712007 Energy: 0.5617643462189674 Energy: 0.6218818127669826 Energy: 0.6684396715760361 Energy: 0.5454035541110912 Energy: 0.6842478797570282 Energy: 0.6474041544001349 Energy: 0.4485957792298186 Energy: 0.6842478797465297 Energy: 0.6474041544029793 Energy: 0.4485957792303874 Energy: 0.6842478797431164 Energy: 0.647404154409806 Energy: 0.44859577922043203 Energy: 0.6842478797493742 minimum gb energy = 0.428237095504111 eV minimum distance = 2.60540987024256 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.5836765128038118 Energy: 0.4611580714947532 Energy: 0.4610128274832918 Energy: 0.5630942336781186 Energy: 0.4611580714919774 Energy: 0.4610128274832918 Energy: 0.5836765127954843 Energy: 0.4611580714947532 Energy: 0.4610128274902063 Energy: 0.5630942336795065 Energy: 0.46131460249119555 Energy: 0.5667403835414304 Energy: 0.6132515656288425 Energy: 0.4613146024787042 Energy: 0.5667403835400424 Energy: 0.6132515656274546 Energy: 0.46131460249119555 Energy: 0.5667403835442063 Energy: 0.6132515656288425 Energy: 0.46131460249397144 Energy: 0.5606154676590809 Energy: 0.5666059924793008 Energy: 0.4575535606653447 Energy: 0.5598272215761857 Energy: 0.5666059924709732 Energy: 0.45755356066256897 Energy: 0.5606154676438136 Energy: 0.5666059924681973 Energy: 0.4575535606639568 Energy: 0.5598272215747978 Energy: 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0.6769644332679864 Energy: 0.5582778117091107 Energy: 0.6083954280250721 Energy: 0.5618681105163966 Energy: 0.6365016546345325 Energy: 0.6083954280267366 Energy: 0.5618681105163966 Energy: 0.6365016546428552 Energy: 0.608395428021743 Energy: 0.5618681105197258 Energy: 0.6365016546495135 Energy: 0.6083954280267366 Energy: 0.5986790063739043 Energy: 0.5747797576690794 Energy: 0.5605907490976927 Energy: 0.5986790063739043 Energy: 0.5747797576624211 Energy: 0.5624214915253231 Energy: 0.5986790063805625 Energy: 0.5747797576757375 Energy: 0.560590749096028 Energy: 0.598679006378898 Energy: 0.5592493648143626 Energy: 0.5763248106169196 Energy: 0.6317523004635387 Energy: 0.5592493648226854 Energy: 0.5763248106252122 Energy: 0.6317523004635387 Energy: 0.5592493648243501 Energy: 0.5763248106268768 Energy: 0.6317523004535515 Energy: 0.5592493648210208 Energy: 0.5746904590230768 Energy: 0.623959351655617 Energy: 0.6490809752208414 Energy: 0.5746904590363934 Energy: 0.623959351658946 Energy: 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0.5350304826131205 Energy: 0.5262116790342997 Energy: 0.6118595668799751 Energy: 0.5350304826167589 Energy: 0.5262116790336931 Energy: 0.611859566881188 Energy: 0.5350304826131205 Energy: 0.5262116790355126 Energy: 0.6118595668799751 Energy: 0.5781637204643546 Energy: 0.6269817902753101 Energy: 0.5817712438258187 Energy: 0.5781637204649611 Energy: 0.6269817902777083 Energy: 0.581771243823393 Energy: 0.5781637204643546 Energy: 0.6269817902759165 Energy: 0.5817712438258187 Energy: 0.5781637204649611 Energy: 0.7312828946215514 Energy: 0.5677049549441149 Energy: 0.5312134394826178 Energy: 0.7312828946221578 Energy: 0.5677049549435085 Energy: 0.5312134394814049 Energy: 0.7312828946221578 Energy: 0.5677049549441149 Energy: 0.5312134394826178 Energy: 0.7312828946215514 Energy: 0.5878321877681639 Energy: 0.5845224093830264 Energy: 0.5915937566434105 Energy: 0.5878321877693768 Energy: 0.5845224093812071 Energy: 0.5915937566446234 Energy: 0.5878321877681639 Energy: 0.5845224093836329 Energy: 0.5915937566434105 Energy: 0.5878321877699832 Energy: 0.5831174997577135 Energy: 0.5281762451620738 Energy: 0.5753617071146971 Energy: 0.5831174997619586 Energy: 0.528176245165106 Energy: 0.5753617071146971 Energy: 0.5831174997577135 Energy: 0.5281762451620738 Energy: 0.5753617071140907 Energy: 0.5831174997619586 Energy: 0.5850146797483788 Energy: 0.5289847597628622 Energy: 0.5676256098552617 Energy: 0.5850146797526239 Energy: 0.5289847597634687 Energy: 0.5676256098534425 Energy: 0.5850146797489854 Energy: 0.5289847597634687 Energy: 0.5676256098564746 Energy: 0.5850146797526239 Energy: 0.5308962603070838 Energy: 0.616759572600857 Energy: 0.5309029502481275 Energy: 0.530896260308903 Energy: 0.6167595725990376 Energy: 0.5309029502505532 Energy: 0.5308962603064773 Energy: 0.6167595725984313 Energy: 0.5309029502481275 Energy: 0.5308962603095096 Energy: 0.6418000167576984 Energy: 0.5369284468829403 Energy: 0.5822792619952021 Energy: 0.6418000167601241 Energy: 0.5369284468805146 Energy: 0.5822792619982342 Energy: 0.6418000167576984 Energy: 0.5369284468829403 Energy: 0.5822792619945957 Energy: 0.6418000167607305 minimum gb energy = 0.5262116790336931 eV minimum distance = 2.56114237009728 Angstroms sigma value = 33