Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Fe Lattice type: short_name=bcc Lattice constant (meters) and cohesive energy (J): a=2.8169555217027673 cohesive_energy=3.976967959450982 mass=55.845 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=120.0 Max. denominator: max_denominator=8 Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.9782701231762597e-19, 3.64914954513108e-19, 4.0801831249761e-19, 4.432037135568839e-19, 4.7581441676532e-19, 5.04294708611304e-19, 5.2637110045119e-19, 5.440687435503539e-19, 5.595185328320159e-19, 5.73253993115298e-19, 5.85614785846608e-19, 5.96455112952252e-19, 6.057124895435039e-19, 6.1355834852020195e-19, 6.20189757608328e-19, 6.25686825639582e-19, 6.300287243177219e-19, 6.3317219487363e-19, 6.351556895465219e-19, 6.36157049942772e-19, 6.365704115143439e-19, 6.36823555422516e-19, 6.370350427382039e-19, 6.371311733362439e-19, 6.36988579615818e-19, 6.36487098329376e-19, 6.355770620012639e-19, 6.34369020819228e-19, 6.332314754090879e-19, 6.328004898945419e-19, 6.33350036480004e-19, 6.3334843430337e-19, 6.261514568634419e-19, 5.93008831012518e-19, 4.89348002792718e-19, 2.18113918246224e-19, -4.22042164575012e-19, -1.8377927297960397e-18, -4.83951871889406e-18, -1.103550426319788e-17, -2.36314644808464e-17, -4.90878081478188e-17, -1.0060515694343519e-16, -2.05820416933542e-16, -4.2461686242585e-16, -8.9184361243293e-16, -1.926617402385e-15, -4.33170883474776e-15] 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: 0.014288438440601634 Energy: -2.7010537267587464 Energy: -0.7084424294770596 Energy: -1.3056874178281908 Energy: -1.3776165122786324 Energy: -1.0793264642612899 Energy: -1.1844822385259293 Energy: -0.7007052396314767 Energy: -1.147269658123473 Energy: -0.8212939373742766 Energy: -1.753791149653085 Energy: -0.7290127687421877 Energy: -1.3207662757610343 Energy: -0.9018036063862721 Energy: -1.2649699510847376 Energy: -0.9961020675788791 Energy: -0.7392290673153712 Energy: -1.429272424747467 Energy: -0.7586579946549261 Energy: -1.1771559878570612 Energy: -0.8647812492991942 Energy: -1.355582138349133 Energy: -1.1688426081898173 Energy: -2.6560546043513624 Energy: -0.7679233940274789 Energy: -1.1804432010131964 Energy: -0.892467241533134 Energy: -0.8697924820599922 Energy: -1.000839992920185 Energy: -0.8176035825538552 Energy: -1.1793992611811788 Energy: -1.1136882091249463 Energy: -0.7694406904187869 Energy: -0.8282516980300019 Energy: -0.7767585970551233 Energy: -0.9398919708933672 Energy: -0.843818409703371 Energy: -0.8485973613879989 Energy: -1.2754589324715322 Energy: -0.16966616876864937 Energy: -1.3041360515607032 Energy: -1.3534261526439717 Energy: -1.8798452641646874 Energy: -0.8564206111327912 Energy: -0.8543594851333717 Energy: -0.9274243207187288 Energy: -1.2036308628529395 Energy: -0.8376289740957011 Energy: -1.2246794707599316 Energy: -0.9208149753655731 Energy: -1.2882274896102797 Energy: -0.7356036555720475 Energy: -0.9064933264253678 Energy: -0.9559236997916528 Energy: -0.8521691929647026 Energy: -0.8064499664584996 Energy: -0.8206429495797251 Energy: -0.9645496080012026 Energy: -0.9949619070460068 Energy: -2.1807293874033085 Energy: -0.8954226877210836 Energy: -1.1305394728914044 Energy: -1.4163999807288656 Energy: -0.8558178162635738 Energy: -0.7499412912818787 Energy: -0.9921308772267105 Energy: -0.8865267082694498 Energy: -0.8095398483763807 Energy: -1.2410085438857084 Energy: -0.7082874332024942 minimum gb energy = -2.7010537267587464 eV minimum distance = 2.41709692042366 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -2.0461916534878917 Energy: -1.9337917868721428 Energy: -1.7650123316149182 Energy: -1.8487328517777282 Energy: -1.6287640525244953 Energy: -1.6037795800608121 Energy: -1.6012156786162248 Energy: -1.8505164544128365 Energy: -1.9245599097926067 Energy: -2.095224170367733 Energy: -1.6888998297601834 Energy: -1.8050890059791846 Energy: -1.5404037747928059 Energy: -1.7479996829788427 Energy: -1.802820131656057 Energy: -1.6561015989055876 Energy: -1.8132915394629723 Energy: -1.933928857036862 Energy: -1.944885681665404 Energy: -1.9190343618076273 Energy: -1.8952009248454407 Energy: -1.8724364093272423 Energy: -1.8832143537272445 Energy: -1.7624536984247914 Energy: -1.7954383073603675 Energy: -1.5932730231761545 Energy: -1.547992316711646 Energy: -1.4983310696444834 Energy: -1.6214889767967133 Energy: -1.6954653200887826 Energy: 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