Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000 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=4.045353233814239 cohesive_energy=3.3603034700051637 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: 0.011729460662135717 Energy: 0.16587769880753886 Energy: 0.16587769880753886 Energy: 0.011729460663290036 Energy: 0.16587769880753886 Energy: 0.16587769880753886 Energy: 0.011729460663290036 Energy: 0.16587769880753886 Energy: 0.16587769880753886 Energy: 0.011729460663290036 Energy: 0.9323253115536724 Energy: 0.012247229055193296 Energy: 0.16624159063383176 Energy: 0.9323253115548268 Energy: 0.012247229055193296 Energy: 0.16624159063383176 Energy: 0.9323253115548268 Energy: 0.012247229055193296 Energy: 0.16624159063383176 Energy: 0.932325311555981 Energy: 0.5913728530860479 Energy: 0.42981932311117704 Energy: 0.17506459470067218 Energy: 0.5913728530860479 Energy: 0.42981932311002274 Energy: 0.3468083786025124 Energy: 0.40335712615123953 Energy: 0.2583394197252674 Energy: 0.3468083786025124 Energy: 0.40331488077849764 Energy: 0.9323253115548268 Energy: 0.16624159063267746 Energy: 0.012247229055193296 Energy: 0.9323253115536724 Energy: 0.16624159063267746 Energy: 0.012247229055193296 Energy: 0.932325311555981 Energy: 0.16624159063383176 Energy: 0.012247229055193296 Energy: 0.932325311555981 Energy: 0.011729460662135717 Energy: 0.16587769880753886 Energy: 0.16587769880753886 Energy: 0.011729460662135717 Energy: 0.16587769880753886 Energy: 0.16587769880753886 Energy: 0.011729460662135717 Energy: 0.16587769880753886 Energy: 0.16587769880753886 Energy: 0.011729460662135717 Energy: 0.9323253115548268 Energy: 0.012247229055193296 Energy: 0.16624159063383176 Energy: 0.9323253115548268 Energy: 0.012247229055193296 Energy: 0.16624159063267746 Energy: 0.932325311555981 Energy: 0.012247229055193296 Energy: 0.16624159063383176 Energy: 0.932325311555981 Energy: 0.4033504335381372 Energy: 0.4804573181756216 Energy: 0.013465058953837377 Energy: 0.4033140820782374 Energy: 0.4804573181756216 Energy: 0.013465058953837377 Energy: 0.4033591948750776 Energy: 0.4804573181756216 Energy: 0.09190754344392606 Energy: 0.40331560071200945 minimum gb energy = 0.011729460662135717 eV minimum distance = 2.60679503525236 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.5319527404953367 Energy: 0.6261935128470458 Energy: 0.6229929892047471 Energy: 0.5158265475166064 Energy: 0.6261935128473286 Energy: 0.6229929892058781 Energy: 0.5319527404959024 Energy: 0.6261935128481768 Energy: 0.6229929892064436 Energy: 0.515826547496814 Energy: 0.5643384705112805 Energy: 0.5122946415898703 Energy: 0.6096189498981869 Energy: 0.5643384692745119 Energy: 0.5122946415910012 Energy: 0.6096189498959249 Energy: 0.5643384674662825 Energy: 0.5122946415895876 Energy: 0.6096189498959249 Energy: 0.5643384700226135 Energy: 0.6218062796281277 Energy: 0.6427685166842052 Energy: 0.6312284933864455 Energy: 0.5681081910089272 Energy: 0.6427685166844879 Energy: 0.6312284933881418 Energy: 0.6218062796295415 Energy: 0.6427685166839224 Energy: 0.6312284933895557 Energy: 0.5681081962298309 Energy: 0.6236725273036917 Energy: 0.6457995388283644 Energy: 0.5162741172861717 Energy: 0.6236725273039744 Energy: 0.6457995388286473 Energy: 0.5162741172844751 Energy: 0.6236725273045399 Energy: 0.645799538826668 Energy: 0.5162741172853234 Energy: 0.6236725273051055 Energy: 0.4954374309542742 Energy: 0.6251128079514044 Energy: 0.6077169548437913 Energy: 0.49543743095286047 Energy: 0.6073524220046288 Energy: 0.607135005712655 Energy: 0.4954374309537087 Energy: 0.6251128079499908 Energy: 0.6077169535688772 Energy: 0.4954374309545569 Energy: 0.7516143178463609 Energy: 0.521535787641509 Energy: 0.5383940176300296 Energy: 0.7516143178463609 Energy: 0.5215357876398126 Energy: 0.5383940176308779 Energy: 0.751614317842968 Energy: 0.521535787643771 Energy: 0.5383940176303124 Energy: 0.7516143178438163 Energy: 0.6189570895536333 Energy: 0.6488827501142084 Energy: 0.6806502071288634 Energy: 0.6189570895522195 Energy: 0.6488827501167531 Energy: 0.6806502071291461 Energy: 0.6189570895533505 Energy: 0.6488827501156221 Energy: 0.6806502071291461 Energy: 0.6189570895550471 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2.47933755107975 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.634850348159162 Energy: 0.4959603835016877 Energy: 0.4995546989121386 Energy: 0.622965072587654 Energy: 0.4959603835003081 Energy: 0.4995546989135183 Energy: 0.6348503481619213 Energy: 0.4959603835003081 Energy: 0.4995546989135183 Energy: 0.622965072587654 Energy: 0.5001503048565316 Energy: 0.619912868718658 Energy: 0.6621085195341911 Energy: 0.5001503048579112 Energy: 0.6199128687172784 Energy: 0.6621085195341911 Energy: 0.5001503048579112 Energy: 0.6199128687172784 Energy: 0.6621085195328115 Energy: 0.5001503048579112 Energy: 0.6263903603812766 Energy: 0.5505694228237368 Energy: 0.49597036823342355 Energy: 0.6235029804565688 Energy: 0.5505659359355438 Energy: 0.4959703682320438 Energy: 0.6263903603812766 Energy: 0.550700277433448 Energy: 0.49597036823342355 Energy: 0.6235029804565688 Energy: 0.6611249350262514 Energy: 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0.6217926118482215 Energy: 0.603645056814572 Energy: 0.6953046580234459 Energy: 0.6217926118465669 Energy: 0.6037012659151111 Energy: 0.6953046580217912 Energy: 0.6024856797036773 Energy: 0.6412219831910164 Energy: 0.6312312579249217 Energy: 0.602485679700368 Energy: 0.6412219831893617 Energy: 0.631226718710468 Energy: 0.6024856797020227 Energy: 0.6412219831910164 Energy: 0.6312301193168499 Energy: 0.6024856797036773 Energy: 0.5932603921124343 Energy: 0.6540897436779592 Energy: 0.6697512041872085 Energy: 0.6091680914540866 Energy: 0.6540897388484831 Energy: 0.6697512041872085 Energy: 0.5932603921107797 Energy: 0.6540897433322854 Energy: 0.6697512041872085 Energy: 0.6091680914557411 minimum gb energy = 0.5887519094503605 eV minimum distance = 2.4924438802666 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.5752650914994626 Energy: 0.5994256221088744 Energy: 0.5952142719242383 Energy: 0.5752650915006682 Energy: 0.5994256106525109 Energy: 0.5952142683149494 Energy: 0.5752650915000654 Energy: 0.5994256150517436 Energy: 0.5952142703250604 Energy: 0.5752650915006682 Energy: 0.7428568472777128 Energy: 0.569205637491811 Energy: 0.6560345072653649 Energy: 0.7428568472746987 Energy: 0.569205637491811 Energy: 0.6560345072647621 Energy: 0.7428568472734931 Energy: 0.5692056374924138 Energy: 0.6560345072653649 Energy: 0.7428568472746987 Energy: 0.6593187919927248 Energy: 0.5596351421086007 Energy: 0.7092287662326384 Energy: 0.6593187919927248 Energy: 0.5596351421092036 Energy: 0.7092287662326384 Energy: 0.6593187919927248 Energy: 0.5596351421086007 Energy: 0.7092287662326384 Energy: 0.6593187919927248 Energy: 0.6376034100865259 Energy: 0.6773649981269863 Energy: 0.6778372892760858 Energy: 0.6376034100859231 Energy: 0.6773649981263834 Energy: 0.6778372892766886 Energy: 0.6376034100865259 Energy: 0.6773649981269863 Energy: 0.6778372892760858 Energy: 0.6376034100859231 Energy: 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0.7025515946394412 Energy: 0.6131120550806276 Energy: 0.6649022430080186 Energy: 0.6436743875970352 Energy: 0.6573416062066297 Energy: 0.5783130367755135 Energy: 0.6436743876518645 Energy: 0.657341606206027 Energy: 0.5783130367761163 Energy: 0.6436743876235593 Energy: 0.6573416062066297 Energy: 0.5783130367755135 Energy: 0.6436743876157227 Energy: 0.6167917786192905 Energy: 0.6544614913454644 Energy: 0.6400599990598543 Energy: 0.6167917786186877 Energy: 0.6544614913460672 Energy: 0.6400599990586486 Energy: 0.6167917786192905 Energy: 0.6544614913454644 Energy: 0.6400599990586486 Energy: 0.6167917786186877 Energy: 0.6273255766543211 Energy: 0.566035126259537 Energy: 0.6451221250880286 Energy: 0.6273255766537181 Energy: 0.5660351262577284 Energy: 0.6626619503940075 Energy: 0.6273255766543211 Energy: 0.5660351262589342 Energy: 0.730667187450811 Energy: 0.6273255766543211 Energy: 0.6361054011627214 Energy: 0.5723872854428445 Energy: 0.5684607985959398 Energy: 0.6361054011621184 Energy: 0.5723872854422417 Energy: 0.5684607970570168 Energy: 0.6361054011639269 Energy: 0.5723872854428445 Energy: 0.5684607974890485 Energy: 0.6361054011621184 Energy: 0.5787420452839598 Energy: 0.6123203590036501 Energy: 0.5783127211561759 Energy: 0.5787420452839598 Energy: 0.6123203590253518 Energy: 0.5783127211567788 Energy: 0.5787420452839598 Energy: 0.6123203589620829 Energy: 0.5783127211561759 Energy: 0.5787420452839598 Energy: 0.5748381590738539 Energy: 0.6016017455137849 Energy: 0.6131650142802181 Energy: 0.574838159073251 Energy: 0.6016017455149906 Energy: 0.6131650142802181 Energy: 0.574838159073251 Energy: 0.6016017455137849 Energy: 0.6131650142802181 Energy: 0.574838159073251 minimum gb energy = 0.5595972134600631 eV minimum distance = 2.51735641187248 Angstroms sigma value = 33