Model name: model_name=Sim_LAMMPS_MEAM_AlmyrasSangiovanniSarakinos_2019_NAlTi__SM_871795249052_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=4.0469995588064185 cohesive_energy=3.357264015404516 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: 0.011719851726802708 Energy: 0.1678443966651029 Energy: 0.16784439666625628 Energy: 0.011719851726802708 Energy: 0.16784439666625628 Energy: 0.16784439666625628 Energy: 0.011719851726802708 Energy: 0.16784439666625628 Energy: 0.1678443966651029 Energy: 0.011719851726802708 Energy: 0.1681991008657463 Energy: 0.012030624717271862 Energy: 0.16764462111117054 Energy: 0.16819914289462506 Energy: 0.012030645729404472 Energy: 0.16764573607762126 Energy: 0.1681991489298843 Energy: 0.01203061096819542 Energy: 0.16764437563260115 Energy: 0.168199148922964 Energy: 0.5169752704883472 Energy: 0.19053315906252066 Energy: 0.2439859394018551 Energy: 0.4834114670196663 Energy: 0.11638653122127261 Energy: 0.3456300011417385 Energy: 0.2794051082556792 Energy: 0.012715544949214808 Energy: 0.3456299978480059 Energy: 0.2794051082556792 Energy: 0.16819914127483696 Energy: 0.16763967291790421 Energy: 0.012030616957345766 Energy: 0.16819911471742094 Energy: 0.16764258878405636 Energy: 0.012030622107177813 Energy: 0.16819912750156576 Energy: 0.16764630044115172 Energy: 0.012030609214694125 Energy: 0.1681991161089451 Energy: 0.011719851726802708 Energy: 0.1678443966651029 Energy: 0.16784439666625628 Energy: 0.011719851726802708 Energy: 0.1678443966651029 Energy: 0.16784439666625628 Energy: 0.011719851726802708 Energy: 0.16784439666625628 Energy: 0.16784439666625628 Energy: 0.011719851726802708 Energy: 0.16819911567891868 Energy: 0.012030640845871639 Energy: 0.1676418114908296 Energy: 0.16819910006797584 Energy: 0.012030659170660096 Energy: 0.1676438946408829 Energy: 0.16819916614677471 Energy: 0.01203060843189134 Energy: 0.1676420796612429 Energy: 0.16819910119086778 Energy: 0.2794051082556792 Energy: 0.22489357836162063 Energy: 0.22575426156744846 Energy: 0.4300837152595153 Energy: 0.18249294924596174 Energy: 0.22489357836046725 Energy: 0.2794051082556792 Energy: 0.01271552645380507 Energy: 0.34563000123626303 Energy: 0.2794051082556792 minimum gb energy = 0.011719851726802708 eV minimum distance = 2.63110004849672 Angstroms sigma value = 3 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Energy: 0.5512445052819751 minimum gb energy = 0.3968744123760409 eV minimum distance = 2.42537593338288 Angstroms sigma value = 75 ======================================== theta = 34.04773236999154 ======================================== Energy: 0.49163431207822134 Energy: 0.4800489836758953 Energy: 0.4773781524083105 Energy: 0.4911576433885625 Energy: 0.48004898367451676 Energy: 0.4773781524083105 Energy: 0.4916343120754893 Energy: 0.4800489836758953 Energy: 0.4773781524083105 Energy: 0.4911576433885625 Energy: 0.4975449707453073 Energy: 0.47863039448122513 Energy: 0.4936345273396423 Energy: 0.4975449707453073 Energy: 0.47863039448122513 Energy: 0.4936345273396423 Energy: 0.4975449707453073 Energy: 0.47863039448122513 Energy: 0.4936345273396423 Energy: 0.4975449707453073 Energy: 0.47324125986033616 Energy: 0.48107088257342 Energy: 0.4753161853074456 Energy: 0.5108895501516928 Energy: 0.48107088257342 Energy: 0.4753161853074456 Energy: 0.47324125986168963 Energy: 0.48107088257206654 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Energy: 0.2481261105320943 Energy: 0.09168078127980331 Energy: 0.16163098302538223 Energy: 0.2059685503799819 Energy: 0.09168078127906559 Energy: 0.16163098302489043 Energy: 0.2059685503792442 Energy: 0.09168078127931151 Energy: 0.16163098302513634 Energy: 0.20596855037973597 Energy: 0.09168078128004921 Energy: 0.2489186028637597 Energy: -0.002677316840124939 Energy: 0.0853485310107817 Energy: 0.2489186028632679 Energy: 0.023834632036319494 Energy: 0.0853485310112735 Energy: 0.24891860286351383 Energy: -0.0026773168408626416 Energy: 0.0853485310107817 Energy: 0.2489186028642515 Energy: 0.03506775594963342 Energy: 0.15984241917260295 Energy: 0.0911962238862342 Energy: 0.03506775594818036 Energy: 0.1598424191738325 Energy: 0.0911962238862342 Energy: 0.03506775594818036 Energy: 0.15984241917334066 Energy: 0.09119622388672602 Energy: 0.03506775594938752 Energy: -0.0024032861708129126 Energy: -0.0025688731286520037 Energy: 0.09977394574311892 Energy: 0.07710607149856138 Energy: 0.0770865460982191 Energy: 0.09977394574336484 Energy: -0.0024032861708129126 Energy: -0.0025688731281602014 Energy: 0.09977394574434843 Energy: 0.07710607149806958 Energy: 0.1607897600212647 Energy: 0.19515882224536044 Energy: 0.1008618585079823 Energy: 0.16078976002200238 Energy: 0.1951588222458522 Energy: 0.1008618585079823 Energy: 0.1607897600212647 Energy: 0.19515882224560632 Energy: 0.1008618585082282 Energy: 0.16078976002052697 Energy: 0.14700062223196325 Energy: 0.09067454205503045 Energy: 0.09064092094258985 Energy: -0.0025419258357539105 Energy: 0.09067454205404683 Energy: 0.09064092094160624 Energy: 0.14700062223196325 Energy: 0.09067454205527634 Energy: 0.09064092094111444 Energy: -0.0025419258357539105 Energy: 0.1615163924149912 Energy: 0.10174523412502151 Energy: 0.14145960010089573 Energy: 0.1615163924147453 Energy: 0.10174523412526741 Energy: 0.18784378360329027 Energy: 0.16151639241449942 Energy: 0.10174523412502151 Energy: 0.14145960010187933 Energy: 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