Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000 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=3.593729183077813 cohesive_energy=4.272647465988359 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: 0.018910328961029073 Energy: 0.37299057649437833 Energy: 0.37299057649437833 Energy: 0.018910328961029073 Energy: 0.37299057649437833 Energy: 0.37299057649437833 Energy: 0.018910328961029073 Energy: 0.37299057649437833 Energy: 0.37299057649437833 Energy: 0.018910328961029073 Energy: 0.37200883607645086 Energy: 0.021158367673932293 Energy: 0.37231558723689373 Energy: 0.37200883607645086 Energy: 0.021158367672469622 Energy: 0.37231558723689373 Energy: 0.37200883607645086 Energy: 0.021158367673932293 Energy: 0.37231558723689373 Energy: 0.37200883607645086 Energy: 1.2807313754711644 Energy: 0.019237647935907758 Energy: 0.32676591396588334 Energy: 1.280731375463851 Energy: 0.01923764793737043 Energy: 0.01923764793737043 Energy: 1.3571101794375575 Energy: 0.01923764793737043 Energy: 0.01923764793737043 Energy: 1.3571098924862268 Energy: 0.37200883607645086 Energy: 0.37231558723689373 Energy: 0.021158367672469622 Energy: 0.37200883607645086 Energy: 0.37231558723689373 Energy: 0.021158367672469622 Energy: 0.37200883607645086 Energy: 0.37231558723689373 Energy: 0.021158367672469622 Energy: 0.37200883607645086 Energy: 0.018910328961029073 Energy: 0.37299057649437833 Energy: 0.37299057649437833 Energy: 0.018910328961029073 Energy: 0.3729905764929156 Energy: 0.37299057649437833 Energy: 0.018910328961029073 Energy: 0.37299057649437833 Energy: 0.37299057649437833 Energy: 0.018910328961029073 Energy: 0.37200883607645086 Energy: 0.021158367672469622 Energy: 0.37231558723689373 Energy: 0.37200883607645086 Energy: 0.021158367673932293 Energy: 0.37231558723689373 Energy: 0.37200883607645086 Energy: 0.021158367672469622 Energy: 0.37231558723835645 Energy: 0.37200883607645086 Energy: 0.9060580141038612 Energy: 0.01923764793737043 Energy: 0.5650200602067987 Energy: 1.4784405099671338 Energy: 0.01923764793737043 Energy: 0.5197463515377037 Energy: 1.4784405099685964 Energy: 0.01923764793737043 Energy: 0.5197463515391664 Energy: 0.906053958608471 minimum gb energy = 0.018910328961029073 eV minimum distance = 2.32055863559799 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.9063673464056874 Energy: 0.8860681720290081 Energy: 0.8860289946549079 Energy: 0.7262059585783265 Energy: 0.8860681720290081 Energy: 0.8860289946549079 Energy: 0.9063673464092702 Energy: 0.8860681720290081 Energy: 0.886028994651325 Energy: 0.7262059585783265 Energy: 0.7878442339185566 Energy: 0.8769499448519179 Energy: 0.8673184855257965 Energy: 0.7878442339149738 Energy: 0.8769499448555006 Energy: 0.8673184855222137 Energy: 0.7878442339149738 Energy: 0.8769499448519179 Energy: 0.8673184855257965 Energy: 0.7878442339185566 Energy: 1.0045782568305943 Energy: 1.1241915989741194 Energy: 1.2423182018882797 Energy: 0.9367875916680266 Energy: 1.1241915989741194 Energy: 1.2423182018918626 Energy: 1.0045782568305943 Energy: 1.1241915989741194 Energy: 1.2423182018918626 Energy: 0.9367875916716094 Energy: 0.8863325477030846 Energy: 0.8859977075173544 Energy: 0.7267122254073245 Energy: 0.8863325477066674 Energy: 0.8859977075173544 Energy: 0.7267122254073245 Energy: 0.8863325477030846 Energy: 0.8859977075173544 Energy: 0.7267122254109073 Energy: 0.8863325477030846 Energy: 0.6932900711702938 Energy: 0.9719486547134022 Energy: 0.9683658205342551 Energy: 0.6932900711702938 Energy: 0.8663578419882408 Energy: 0.8666470453362212 Energy: 0.6932900711702938 Energy: 0.9719486547205677 Energy: 0.9683658205306724 Energy: 0.6932900711702938 Energy: 1.0706719123302768 Energy: 0.7228727077209576 Energy: 0.9908066668966756 Energy: 1.0706719123302768 Energy: 0.7228727077209576 Energy: 0.9908066668966756 Energy: 1.0706719123302768 Energy: 0.7228727077173748 Energy: 0.9908066668966756 Energy: 1.0706719123266941 Energy: 1.0183011457812488 Energy: 0.7270890177364991 Energy: 1.0576714782474559 Energy: 1.0183011457812488 Energy: 0.7270890177400819 Energy: 1.0576714782474559 Energy: 1.0183011457812488 Energy: 0.7270890177364991 Energy: 1.0576714782510388 Energy: 1.0183011457812488 Energy: 0.8658750299290215 Energy: 0.8660999012322306 Energy: 0.8904897323347767 Energy: 0.8658750299290215 Energy: 0.8660999012286478 Energy: 0.8658518755668613 Energy: 0.8658750299290215 Energy: 0.8660999012322306 Energy: 0.8904897323383596 Energy: 0.8658750299255038 Energy: 0.7270630972487334 Energy: 0.8868035414056986 Energy: 0.8870414367807073 Energy: 0.8384613705675119 Energy: 0.8868035414056986 Energy: 0.8870414367807073 Energy: 0.7270630972487334 Energy: 0.8868035414021157 Energy: 0.8870414367771245 Energy: 0.8384613705675119 Energy: 1.1026965805059397 Energy: 1.2916084298631223 Energy: 1.0023417623683304 Energy: 1.0173812768487291 Energy: 1.2916084298631223 Energy: 1.0257288160304705 Energy: 1.1026965805095224 Energy: 1.291608429866705 Energy: 1.0023417623647475 Energy: 1.0173812768093184 Energy: 0.8655620904498864 Energy: 0.8612627520414626 Energy: 0.7879304534480142 Energy: 0.8655620904498864 Energy: 0.8612627520414626 Energy: 0.7879304534515971 Energy: 0.8655620904463035 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0.8860289946549079 Energy: 0.7262059585783265 Energy: 0.8860681720325909 Energy: 0.8860289946549079 Energy: 0.8488141745422855 Energy: 0.7878442339149738 Energy: 0.8769499448519179 Energy: 0.8673184855257965 Energy: 0.7878442339149738 Energy: 0.8769499448555006 Energy: 0.8673184855257965 Energy: 0.7878442339149738 Energy: 0.8769499448519179 Energy: 0.8673184855257965 Energy: 0.7878442339149738 Energy: 1.0257479104343055 Energy: 1.124191598977702 Energy: 1.2423182018882797 Energy: 0.949978803585993 Energy: 1.1241915989741194 Energy: 1.2423182018918626 Energy: 1.0257479104307226 Energy: 1.1241915989741194 Energy: 1.2423182018918626 Energy: 0.949978803585993 Energy: 0.8863325477030846 Energy: 0.8859977075173544 Energy: 0.7267122254073245 Energy: 0.8863325477030846 Energy: 0.8859977075173544 Energy: 0.7267122254037418 Energy: 0.8863325477066674 Energy: 0.8859977075173544 Energy: 0.7267122254109073 Energy: 0.8863325477030846 minimum gb energy = 0.6932900711702938 eV minimum distance = 2.39265232721703 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 1.1694057049233455 Energy: 0.8992698478875303 Energy: 0.8994447327452169 Energy: 1.127437927600797 Energy: 0.8992698478892786 Energy: 0.899444732746965 Energy: 1.1694057049250939 Energy: 0.8992698478875303 Energy: 0.8994447327452169 Energy: 1.1274379276025452 Energy: 1.1042883895617452 Energy: 1.1040858782810787 Energy: 1.1201068283986833 Energy: 1.1042883895617452 Energy: 1.1040858782810787 Energy: 1.1201068283986833 Energy: 1.104288389565242 Energy: 1.1040858782793306 Energy: 1.1201068284021798 Energy: 1.104288389565242 Energy: 1.1544279783943105 Energy: 1.0816199604502013 Energy: 0.998926129618008 Energy: 1.1554897916419844 Energy: 1.0816199604502013 Energy: 0.9989261296162598 Energy: 1.154427978396059 Energy: 1.0816199604519496 Energy: 0.9989261296162598 Energy: 1.1554897916437326 Energy: 1.013255326696161 Energy: 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======================================== Energy: 1.1205168302636095 Energy: 1.158362124870691 Energy: 1.158265584402572 Energy: 1.1205168302636095 Energy: 1.158362124870691 Energy: 1.158265584402572 Energy: 1.1205168302636095 Energy: 1.158362124870691 Energy: 1.158265584402572 Energy: 1.1205168302636095 Energy: 1.159463059702138 Energy: 1.065962221225297 Energy: 1.1463751465426122 Energy: 1.1594630597032711 Energy: 1.065962221225297 Energy: 1.1463751465426122 Energy: 1.1594630597032711 Energy: 1.065962221225297 Energy: 1.1463751465426122 Energy: 1.1594630597032711 Energy: 1.0663115911738168 Energy: 1.1554919426157515 Energy: 1.0663911295951645 Energy: 1.0663115911738168 Energy: 1.1554919426157515 Energy: 1.0663911295951645 Energy: 1.0663115911738168 Energy: 1.1554919426157515 Energy: 1.0663911295951645 Energy: 1.0663115911738168 Energy: 1.1640900897187738 Energy: 1.0652822513235432 Energy: 1.1768038318466412 Energy: 1.1640900897199067 Energy: 1.0652822513235432 Energy: 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Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.2908485326216879 Energy: 1.288597586154047 Energy: 1.2890519255878365 Energy: 1.2908485326219672 Energy: 1.2885975861545589 Energy: 1.2890519255881159 Energy: 1.2908485326216879 Energy: 1.2885975861527907 Energy: 1.289051925589372 Energy: 1.2908485326219672 Energy: 1.2988336426186982 Energy: 1.2483353276092823 Energy: 1.3385983278563365 Energy: 1.2988336426202338 Energy: 1.2483353276092823 Energy: 1.338598328184791 Energy: 1.298833642619443 Energy: 1.2483353276092823 Energy: 1.3385983279947165 Energy: 1.2988336426166511 Energy: 1.2312524151719124 Energy: 1.2344040137091428 Energy: 1.2378054617919456 Energy: 1.2312524151711213 Energy: 1.2344040137096546 Energy: 1.2378054617924574 Energy: 1.2312524151714006 Energy: 1.2344040137096546 Energy: 1.2378054617919456 Energy: 1.2312524151708888 Energy: 1.209418033028669 Energy: 1.2347735039425698 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1.2445792224492915 Energy: 1.3845198364539775 Energy: 1.2751101434358632 Energy: 1.3220817438601185 Energy: 1.2069700540946908 Energy: 1.2751101434527536 Energy: 1.3220817438603976 Energy: 1.206970054094179 Energy: 1.2751101434409815 Energy: 1.3220817438601185 Energy: 1.2069700540946908 Energy: 1.2751101434565688 Energy: 1.2346222007717704 Energy: 1.2699122888686636 Energy: 1.283297238481703 Energy: 1.2346222007717704 Energy: 1.269912288867919 Energy: 1.2832972384801677 Energy: 1.234622200771538 Energy: 1.2699122888681518 Energy: 1.2832972384819823 Energy: 1.2346222007717704 Energy: 1.3311535171084607 Energy: 1.2329248141786575 Energy: 1.232750272021712 Energy: 1.3311535171084607 Energy: 1.2329248141788904 Energy: 1.2327502720201764 Energy: 1.33115351710874 Energy: 1.2329248141791693 Energy: 1.2327502720198975 Energy: 1.3311535171089726 Energy: 1.2346448752265005 Energy: 1.2832251661787244 Energy: 1.269541154623483 Energy: 1.2346448752259884 Energy: 1.2832251661751417 Energy: 1.2695411546229711 Energy: 1.2346448752265005 Energy: 1.2832251661777008 Energy: 1.269541154623483 Energy: 1.2346448752262211 Energy: 1.3096066771163142 Energy: 1.207047209200649 Energy: 1.3219719682159112 Energy: 1.3096066771160817 Energy: 1.2070472092001372 Energy: 1.32197196821512 Energy: 1.3096066771160817 Energy: 1.2070472092004163 Energy: 1.3219719682153994 Energy: 1.3096066771160817 Energy: 1.3840332764825567 Energy: 1.244756029567097 Energy: 1.2486640226051338 Energy: 1.3840332764807886 Energy: 1.2447560295668179 Energy: 1.2486640226051338 Energy: 1.3840332764818122 Energy: 1.2447560295655615 Energy: 1.2486640226048544 Energy: 1.3840332764820447 Energy: 1.2096918356101483 Energy: 1.435188202542012 Energy: 1.2343131515940282 Energy: 1.2096918356101483 Energy: 1.4351882025409886 Energy: 1.234313151595331 Energy: 1.209691835609869 Energy: 1.435188202543315 Energy: 1.234313151595331 Energy: 1.2096918356103807 minimum gb energy = 1.2069700540936672 eV minimum distance = 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1.3268386641018264 Energy: 1.1436220080430497 Energy: 1.1484797831350073 Energy: 1.2735198310181188 Energy: 1.1436220080451462 Energy: 1.1484797831350073 Energy: 1.2735198310202156 Energy: 1.1436220080451462 Energy: 1.1484797831350073 Energy: 1.2735198310181188 Energy: 1.1436220080430497 Energy: 1.17359777934761 Energy: 1.2645451423968057 Energy: 1.2920985927665305 Energy: 1.1735977793580936 Energy: 1.2645451423968057 Energy: 1.2920985927665305 Energy: 1.1735977793497068 Energy: 1.2645451423968057 Energy: 1.2920985927644337 Energy: 1.1735977793580936 minimum gb energy = 1.1390331396274147 eV minimum distance = 2.29417842614814 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 1.130338660841137 Energy: 1.2571835709028818 Energy: 1.2569790926101907 Energy: 1.130338660841137 Energy: 1.2571835709028818 Energy: 1.256979092627759 Energy: 1.130338660841137 Energy: 1.2571835709028818 Energy: 1.2569790926170654 Energy: 1.1303386608403732 Energy: 1.2674815087455555 Energy: 1.1089080804876625 Energy: 1.1116158426772558 Energy: 1.267481508761527 Energy: 1.1089080804884264 Energy: 1.1116158426787837 Energy: 1.2674815087402085 Energy: 1.1089080804876625 Energy: 1.1116158426772558 Energy: 1.267481508737917 Energy: 1.1918640407502543 Energy: 1.094820665756734 Energy: 1.272450574152567 Energy: 1.191864040747963 Energy: 1.0948206657544424 Energy: 1.2724505741533307 Energy: 1.191864040747963 Energy: 1.0948206657536785 Energy: 1.272450574152567 Energy: 1.191864040747963 Energy: 1.2290498102147955 Energy: 1.3041307523038217 Energy: 1.1564495118452045 Energy: 1.2290498102063931 Energy: 1.304130752306877 Energy: 1.1564495118444404 Energy: 1.229049810213268 Energy: 1.3041307523076409 Energy: 1.1564495118436766 Energy: 1.2290498102109764 Energy: 1.2697365461165802 Energy: 1.121284112616577 Energy: 1.3600740173669652 Energy: 1.2697365461165802 Energy: 1.1212841126181048 Energy: 1.3600740173692567 Energy: 1.2697365461165802 Energy: 1.121284112617341 Energy: 1.3600740173662011 Energy: 1.2697365461150525 Energy: 1.2084867252426346 Energy: 1.2800688566343086 Energy: 1.1089014495083673 Energy: 1.2084867252380516 Energy: 1.2800688566335447 Energy: 1.1089014495083673 Energy: 1.2084867252479816 Energy: 1.2800688566343086 Energy: 1.1089014495076037 Energy: 1.208486725241107 Energy: 1.246117836873025 Energy: 1.2036935648341662 Energy: 1.095120307645082 Energy: 1.2461178368608035 Energy: 1.1441698522985426 Energy: 1.0951203076427904 Energy: 1.2461178368875383 Energy: 1.1441698522993067 Energy: 1.0951203076435543 Energy: 1.2461178368585117 Energy: 1.206294719778852 Energy: 1.325593896471564 Energy: 1.2125330119054294 Energy: 1.2062947197796157 Energy: 1.3255938964723275 Energy: 1.212533011894735 Energy: 1.2062947197796157 Energy: 1.325593896471564 Energy: 1.2125330119023738 Energy: 1.2062947197796157 Energy: 1.4086214743967302 Energy: 1.122490317481871 Energy: 1.1218338238457117 Energy: 1.408621474397494 Energy: 1.1224903174811072 Energy: 1.1218338238472396 Energy: 1.408621474397494 Energy: 1.122490317481871 Energy: 1.1218338238441843 Energy: 1.4086214743967302 Energy: 1.233243293653415 Energy: 1.2217389498850006 Energy: 1.3530849795199806 Energy: 1.2332432936518876 Energy: 1.2217389498865285 Energy: 1.353084979518453 Energy: 1.2332432936526512 Energy: 1.2217389498850006 Energy: 1.3530849795207447 Energy: 1.2332432936503597 Energy: 1.2258601807061413 Energy: 1.2276993948298502 Energy: 1.1400383056930292 Energy: 1.2258601807046134 Energy: 1.2276993948298502 Energy: 1.1476659264727267 Energy: 1.2258601807053775 Energy: 1.2276993948298502 Energy: 1.1981793234160238 Energy: 1.2258601807046134 Energy: 1.2028654775660572 Energy: 1.1060333196556489 Energy: 1.2280849326453604 Energy: 1.2028654775652932 Energy: 1.1060333196571763 Energy: 1.2280849326453604 Energy: 1.2028654775675847 Energy: 1.1060333196556489 Energy: 1.2280849326445966 Energy: 1.2028654775660572 Energy: 1.1209131198586204 Energy: 1.3734629681180717 Energy: 1.1218041608655291 Energy: 1.1209131198586204 Energy: 1.3734629681188355 Energy: 1.1218041608655291 Energy: 1.1209131198586204 Energy: 1.373462968117308 Energy: 1.1218041608655291 Energy: 1.1209131198586204 Energy: 1.2125556936373587 Energy: 1.1080929572205465 Energy: 1.215322206742336 Energy: 1.2125556936373587 Energy: 1.108092957222074 Energy: 1.2153222067400442 Energy: 1.2125556936381225 Energy: 1.10809295722131 Energy: 1.2153222067415719 Energy: 1.2125556936381225 minimum gb energy = 1.0948206657536785 eV minimum distance = 2.24977871931908 Angstroms sigma value = 33