Model name: model_name=EAM_IMD_BrommerGaehler_2006A_AlNiCo__MO_122703700223_003 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=4.128871455788613 cohesive_energy=3.7144354827541424 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: 0.012448658701896112 Energy: 0.16053137912116303 Energy: 0.16053137912116303 Energy: 0.012448658701896112 Energy: 0.16053137912116303 Energy: 0.16053137912116303 Energy: 0.012448658700788021 Energy: 0.16053137912116303 Energy: 0.16053137912116303 Energy: 0.012448658701896112 Energy: 0.1600523939290805 Energy: 0.012945805673977857 Energy: 0.16071675625307263 Energy: 0.1600523939279724 Energy: 0.012945805673977857 Energy: 0.16071675625196455 Energy: 0.1600523939290805 Energy: 0.012945805673977857 Energy: 0.16071675625196455 Energy: 0.1600523939279724 Energy: 0.5773595009715297 Energy: 0.09840005408207153 Energy: 0.013277799726599307 Energy: 0.7025897674766004 Energy: 0.2899674909384539 Energy: 0.013277799726599307 Energy: 0.6236315127328617 Energy: 0.10347668446159802 Energy: 0.013277799726599307 Energy: 0.38183829748100717 Energy: 0.1600523939290805 Energy: 0.16071675625307263 Energy: 0.012945805673977857 Energy: 0.1600523939290805 Energy: 0.16071675625085646 Energy: 0.012945805673977857 Energy: 0.1600523939290805 Energy: 0.16071675625307263 Energy: 0.012945805673977857 Energy: 0.1600523939290805 Energy: 0.012448658701896112 Energy: 0.1605313791222711 Energy: 0.16053137912116303 Energy: 0.012448658701896112 Energy: 0.16053137912116303 Energy: 0.16053137912116303 Energy: 0.012448658703004201 Energy: 0.1605313791222711 Energy: 0.16053137912116303 Energy: 0.012448658701896112 Energy: 0.1600523939290805 Energy: 0.012945805673977857 Energy: 0.16071675625085646 Energy: 0.1600523939290805 Energy: 0.012945805673977857 Energy: 0.16071675625196455 Energy: 0.1600523939290805 Energy: 0.012945805673977857 Energy: 0.16071675625307263 Energy: 0.1600523939290805 Energy: 0.5773595009726378 Energy: 0.09840005408207153 Energy: 0.013277799726599307 Energy: 0.7025897674777086 Energy: 0.2899674909384539 Energy: 0.013277799727707394 Energy: 0.6236315127339699 Energy: 0.10347668446159802 Energy: 0.013277799726599307 Energy: 0.381838297478791 minimum gb energy = 0.012448658700788021 eV minimum distance = 2.71793522209551 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.44259538147317545 Energy: 0.5244898764816202 Energy: 0.5243352473158829 Energy: 0.41387688018682334 Energy: 0.5244898764791527 Energy: 0.5243352473129217 Energy: 0.44259538147450794 Energy: 0.5244898764799916 Energy: 0.5243352473118361 Energy: 0.4138768801871195 Energy: 0.44293385049471024 Energy: 0.4247018007938999 Energy: 0.5111475896799884 Energy: 0.4429338504936245 Energy: 0.4247018007966142 Energy: 0.5111475896802351 Energy: 0.44293385048982453 Energy: 0.42470180079498565 Energy: 0.511147589681617 Energy: 0.4429338504912063 Energy: 0.46349974182833314 Energy: 0.4931266562383318 Energy: 0.542226885480903 Energy: 0.47158255948740985 Energy: 0.49312665623749286 Energy: 0.5422268854892924 Energy: 0.46349974182478 Energy: 0.4931266562399603 Energy: 0.5422268854836172 Energy: 0.4715825594895812 Energy: 0.5206971106176993 Energy: 0.5282204122356353 Energy: 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Energy: 0.5206971106185382 minimum gb energy = 0.370276443149453 eV minimum distance = 2.71080260304238 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.5307131128169493 Energy: 0.4139806216084115 Energy: 0.41398017571352597 Energy: 0.5023988266221868 Energy: 0.41398062160708704 Energy: 0.41398017571087714 Energy: 0.5307131128169493 Energy: 0.4139806216123848 Energy: 0.41398017570425505 Energy: 0.5023988266221868 Energy: 0.4138899630695679 Energy: 0.46744658252219223 Energy: 0.4138028052292852 Energy: 0.4138899630682435 Energy: 0.4674465825208678 Energy: 0.41380280523060964 Energy: 0.4138899630695679 Energy: 0.4674465825195434 Energy: 0.41380280523323437 Energy: 0.413889963066919 Energy: 0.44618406954806705 Energy: 0.4817243328443045 Energy: 0.4138116774980783 Energy: 0.4455821076925946 Energy: 0.48172433284165567 Energy: 0.41381167749542946 Energy: 0.4461840695467426 Energy: 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Energy: 0.488211690090956 Energy: 0.5265986168224133 Energy: 0.47226311307860286 Energy: 0.488211690090956 Energy: 0.5172714247781821 Energy: 0.4819623969744741 Energy: 0.4668006812013586 Energy: 0.5070796190650401 Energy: 0.47789446085996884 Energy: 0.46680068120193724 Energy: 0.48191473620810993 Energy: 0.4804897280955644 Energy: 0.46680068120078 Energy: 0.4819147362075313 Energy: 0.4830533192398469 Energy: 0.5406650242035655 Energy: 0.49259390896308375 Energy: 0.4830533192415829 Energy: 0.5406650242035655 Energy: 0.4925939089636625 Energy: 0.4830533192398469 Energy: 0.5406650242041442 Energy: 0.4925939089625051 Energy: 0.4830533192415829 Energy: 0.5500254241137144 Energy: 0.47479373262387764 Energy: 0.47523537806963595 Energy: 0.5500254241137144 Energy: 0.4747937326215629 Energy: 0.47523537806963595 Energy: 0.5500254241113998 Energy: 0.47479373262387764 Energy: 0.47523537806963595 Energy: 0.5500254241131357 Energy: 0.5201354021137783 Energy: 0.4996982608062697 Energy: 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Energy: 0.47517529587883955 Energy: 0.4798461005320938 Energy: 0.47927362475220847 Energy: 0.4946748813553689 Energy: 0.4798461005315151 Energy: 0.4792736247516298 Energy: 0.49467488135421156 Energy: 0.4798461005326724 Energy: 0.47927362475220847 Energy: 0.49467488135363286 Energy: 0.4798461005326724 minimum gb energy = 0.46676253930870376 eV minimum distance = 2.60954586417682 Angstroms sigma value = 33