Model name: model_name=EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_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=3.6583648324012783 cohesive_energy=4.002359338938538 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=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19] 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: 0.01705158288927569 Energy: 0.01821181729265258 Energy: -0.8440489499945975 Energy: -0.7199063392470101 Energy: 0.0179835821818431 Energy: 0.01771459817124143 Energy: -0.629786417945045 Energy: -0.7779405874764925 Energy: -0.704621808158366 Energy: 0.017952023000043595 Energy: -1.0160684040759065 Energy: -1.2322087163126585 Energy: -1.2179102335176555 Energy: -0.8816301611984503 Energy: -1.133364482481503 Energy: -0.8956885719224479 Energy: -1.0491602293462408 Energy: -0.8181591363903002 Energy: -0.8796452177168147 Energy: -1.0228958187865125 Energy: -1.3540456131171066 Energy: -0.9262452210462631 Energy: 0.02007725411514934 Energy: -1.0303653772247714 Energy: -0.5184303353656101 Energy: -1.3498137516350788 Energy: -0.9224867715403305 Energy: 0.021359202490079356 Energy: -0.7847085358957226 Energy: -0.657616175206395 Energy: -0.8624313049678941 Energy: 0.018058045942729452 Energy: -1.0309220193949644 Energy: -0.7291017084168238 Energy: -0.7017212480017857 Energy: -0.9067632340138081 Energy: 0.01815479924032054 Energy: -1.0196259112019537 Energy: -0.730523876357498 Energy: -0.7644134161305888 Energy: -0.8974378927966945 Energy: -0.6918547924217877 Energy: -0.7313053175061004 Energy: -1.0111473749184647 Energy: 0.0178180835797657 Energy: -0.8296745926121492 Energy: -0.8106261759293282 Energy: -0.8892155607576072 Energy: -1.0176762925351133 Energy: -0.7336637157264486 Energy: -1.2508699794652898 Energy: -0.6935595342888344 Energy: -1.1390561669517656 Energy: 0.020362963614456848 Energy: -0.9321844064252957 Energy: -0.8842779559741746 Energy: -1.1518238362131927 Energy: -1.0184625237934328 Energy: 0.020310662443488937 Energy: -1.0225419416155934 Energy: -0.916897711770877 Energy: -0.7391595346119875 Energy: -0.8791524657831095 Energy: -1.3603243590136431 Energy: -1.028049226671322 Energy: -0.9342693908890525 Energy: -1.1229785933412009 Energy: -0.8765227099875259 Energy: -1.2160624488134928 Energy: -1.0902607147221732 minimum gb energy = -1.3603243590136431 eV minimum distance = 2.34863358336719 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: -1.6698379675850616 Energy: -3.052828542711224 Energy: -2.85915137974944 Energy: -3.0393575549209157 Energy: -4.1865865308911925 Energy: -2.7794385694245562 Energy: -5.83493543185727 Energy: -2.979173428172966 Energy: -2.758163006967087 Energy: -3.384138782477014 Energy: -4.404992930498775 Energy: -4.321962442360746 Energy: -2.248451551332094 Energy: -2.399749511336508 Energy: -4.621398075079085 Energy: -3.442771463545157 Energy: -4.3039552709171 Energy: -2.644070747585827 Energy: -3.7429513908938596 Energy: -2.4373985912110316 Energy: -3.157921066015453 Energy: -2.3667364084728173 Energy: -2.5763992531360875 Energy: -4.0036278925836255 Energy: -4.497070566688881 Energy: -3.9916870496638506 Energy: -2.339104775811088 Energy: -4.109732652390702 Energy: -3.926763161291918 Energy: -2.756322797326974 Energy: 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