Model name: model_name=EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005 a1: a1=[1, 1, -1] a2: a2=[-1, 1, 0] a3: a3=[1, 1, 2] Species: species=Cu Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.492127545177937 cohesive_energy=3.2787006807142314 mass=63.546 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: -0.0422236321099957 eV ======================================== theta = 0.0 ======================================== Energy: 0.015356133507651169 Energy: 0.21620386887499918 Energy: 0.21620386887499918 Energy: 0.015356133509200193 Energy: 0.21620386887499918 Energy: 0.21620386887499918 Energy: 0.015356133507651169 Energy: 0.21620386887499918 Energy: 0.21620386887499918 Energy: 0.015356133507651169 Energy: 0.2141606864922725 Energy: 0.019179373240824475 Energy: 0.2148433659569584 Energy: 0.2141606864922725 Energy: 0.01917937323927545 Energy: 0.2148433659569584 Energy: 0.2141606864922725 Energy: 0.019179373240824475 Energy: 0.2148433659569584 Energy: 0.2141606864922725 Energy: 0.7621237714295626 Energy: 0.32807614734125623 Energy: 0.3973871917843131 Energy: 0.7621237714295626 Energy: 0.15151452534205825 Energy: 0.1258241664586019 Energy: 0.4595300772698632 Energy: 0.015986845245151555 Energy: 0.12582416645705288 Energy: 0.4595367360120169 Energy: 0.21416068649072345 Energy: 0.21484336595540937 Energy: 0.01917937323927545 Energy: 0.21416068649072345 Energy: 0.2148433659569584 Energy: 0.019179373240824475 Energy: 0.21416068649072345 Energy: 0.21484336595540937 Energy: 0.01917937323927545 Energy: 0.21416068649072345 Energy: 0.015356133507651169 Energy: 0.2162038688765482 Energy: 0.2162038688765482 Energy: 0.015356133509200193 Energy: 0.2162038688765482 Energy: 0.2162038688765482 Energy: 0.015356133509200193 Energy: 0.2162038688765482 Energy: 0.2162038688765482 Energy: 0.015356133509200193 Energy: 0.2141606864922725 Energy: 0.019179373240824475 Energy: 0.2148433659569584 Energy: 0.21416068649072345 Energy: 0.01917937323927545 Energy: 0.21484336595540937 Energy: 0.21416068649072345 Energy: 0.019179373240824475 Energy: 0.2148433659569584 Energy: 0.21416068649072345 Energy: 0.4595372360064451 Energy: 0.1258241664586019 Energy: 0.015986845245151555 Energy: 0.45952896973674107 Energy: 0.397387191781215 Energy: 0.3490752780146572 Energy: 0.4595287202364991 Energy: 0.34907527801620625 Energy: 0.3278192872786301 Energy: 0.4595432571830544 minimum gb energy = 0.015356133507651169 eV minimum distance = 2.26732967320581 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.5889909394987807 Energy: 0.6257781911809156 Energy: 0.6257997177769844 Energy: 0.5206709948276342 Energy: 0.6257781911873659 Energy: 0.6257997177750874 Energy: 0.5889909394987807 Energy: 0.6257781911835716 Energy: 0.6257997177838142 Energy: 0.5206709948276342 Energy: 0.5368764915717898 Energy: 0.5634139353046624 Energy: 0.6017662774426511 Energy: 0.5368764915767223 Energy: 0.5634139353054213 Energy: 0.6017662774460659 Energy: 0.5368764915721691 Energy: 0.5634139353076979 Energy: 0.6017662774464454 Energy: 0.5368764915710308 Energy: 0.5498761053711533 Energy: 0.6340617291775947 Energy: 0.6082060332704952 Energy: 0.5564246328683227 Energy: 0.634061729177974 Energy: 0.6082060330178974 Energy: 0.5498761053684972 Energy: 0.6340617291719031 Energy: 0.6082060332450734 Energy: 0.5564246328656666 Energy: 0.6262225659391693 Energy: 0.6254673758129159 Energy: 0.4760367327833175 Energy: 0.626222565940687 Energy: 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0.6764719338046171 Energy: 0.6654844464848573 Energy: 0.7492088978903075 Energy: 0.6764719338046171 Energy: 0.7054888962123069 Energy: 0.6756732374777497 Energy: 0.6596829603142338 Energy: 0.7054888962123069 Energy: 0.6756732374777497 Energy: 0.6596829603120132 Energy: 0.7054888962123069 Energy: 0.6756732374777497 Energy: 0.6596829603142338 Energy: 0.7054888962123069 Energy: 0.6538432990531532 Energy: 0.684355872287752 Energy: 0.7549681315297304 Energy: 0.6538432990531532 Energy: 0.6843558722899724 Energy: 0.7549681315319509 Energy: 0.6538432990531532 Energy: 0.684355872287752 Energy: 0.7549681315297304 Energy: 0.6538432990531532 Energy: 0.6765610339616848 Energy: 0.7404755714415 Energy: 0.666927427800818 Energy: 0.6765610339639052 Energy: 0.7404755714415 Energy: 0.666927427800818 Energy: 0.6765610339616848 Energy: 0.7404755714437204 Energy: 0.666927427800818 Energy: 0.6765610339550233 minimum gb energy = 0.6479426652345092 eV minimum distance = 2.20357003153685 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.6290129437275188 Energy: 0.6395160597803925 Energy: 0.6396664858218487 Energy: 0.6290129437275188 Energy: 0.6395160597795837 Energy: 0.6396664858226576 Energy: 0.6290129437275188 Energy: 0.6395160597795837 Energy: 0.6396664858218487 Energy: 0.6290129437275188 Energy: 0.6737586600842989 Energy: 0.6163749588134981 Energy: 0.6229910051910401 Energy: 0.6737586600867258 Energy: 0.6163749588118802 Energy: 0.6229910051910401 Energy: 0.6737586600883437 Energy: 0.6163749588126891 Energy: 0.6229910051910401 Energy: 0.6737586600867258 Energy: 0.709887553058968 Energy: 0.612553800325457 Energy: 0.7539099833880597 Energy: 0.709887553058968 Energy: 0.6125538003230302 Energy: 0.7539099833880597 Energy: 0.7098875530581591 Energy: 0.612553800325457 Energy: 0.7539099833888686 Energy: 0.709887553059777 Energy: 0.6944437469991618 Energy: 0.6962454518542606 Energy: 0.647308497677131 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0.6130653987443054 Energy: 0.6385664355666302 Energy: 0.6772163331719564 Energy: 0.6383258179083482 Energy: 0.6165740570861529 Energy: 0.6171821143454063 Energy: 0.6383258179075393 Energy: 0.6165740570861529 Energy: 0.6171821143454063 Energy: 0.6383258179099661 Energy: 0.6165740570861529 Energy: 0.6171821143454063 Energy: 0.6383258179075393 Energy: 0.6198702144714996 Energy: 0.7293432710894102 Energy: 0.619659705500131 Energy: 0.619870214465028 Energy: 0.7293432710886014 Energy: 0.6196597054993221 Energy: 0.6198702144714996 Energy: 0.7293432710894102 Energy: 0.619659705500131 Energy: 0.619870214465028 Energy: 0.6253589069865378 Energy: 0.615472906018924 Energy: 0.6195015422540623 Energy: 0.62535890698492 Energy: 0.6154729060213509 Energy: 0.619501542259725 Energy: 0.6253589069865378 Energy: 0.615472906018924 Energy: 0.6195015422540623 Energy: 0.62535890698492 minimum gb energy = 0.612364315668325 eV minimum distance = 2.21304178637428 Angstroms sigma value = 33