Model name: model_name=EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001 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=3.5878697186708446 cohesive_energy=3.5216930147876497 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: -5.69299980837746e-26 eV ======================================== theta = 0.0 ======================================== Energy: 0.015639888185960727 Energy: 0.324489206879167 Energy: 0.324489206879167 Energy: 0.015639888185960727 Energy: 0.324489206879167 Energy: 0.324489206879167 Energy: 0.015639888185960727 Energy: 0.324489206879167 Energy: 0.324489206879167 Energy: 0.015639888185960727 Energy: 0.3212135124087905 Energy: 0.018621148738245576 Energy: 0.3212983498401365 Energy: 0.3212135124087905 Energy: 0.018621148738245576 Energy: 0.3212983498401365 Energy: 0.3212135124087905 Energy: 0.018621148738245576 Energy: 0.3212983498401365 Energy: 0.3212135124087905 Energy: 0.37339628714151846 Energy: 0.19090309789042292 Energy: 0.4467226645769195 Energy: 1.097599153924178 Energy: 0.3665835360910651 Energy: 0.3665835360910651 Energy: 0.6581109664376983 Energy: 0.3665835360910651 Energy: 0.19090309789042292 Energy: 0.6581080664409574 Energy: 0.3212135124087905 Energy: 0.3212983498401365 Energy: 0.018621148738245576 Energy: 0.3212135124087905 Energy: 0.3212983498401365 Energy: 0.018621148738245576 Energy: 0.3212135124087905 Energy: 0.3212983498401365 Energy: 0.018621148738245576 Energy: 0.3212135124087905 Energy: 0.015639888185960727 Energy: 0.324489206879167 Energy: 0.324489206879167 Energy: 0.015639888185960727 Energy: 0.324489206879167 Energy: 0.324489206879167 Energy: 0.015639888185960727 Energy: 0.324489206879167 Energy: 0.324489206879167 Energy: 0.015639888185960727 Energy: 0.3212135124087905 Energy: 0.018621148738245576 Energy: 0.3212983498401365 Energy: 0.3212135124087905 Energy: 0.018621148738245576 Energy: 0.3212983498401365 Energy: 0.3212135124087905 Energy: 0.018621148738245576 Energy: 0.3212983498401365 Energy: 0.3212135124087905 Energy: 0.6581180696253217 Energy: 0.016417803729694785 Energy: 0.19347904013752346 Energy: 0.6581127355866693 Energy: 0.016417803729694785 Energy: 0.19347904013752346 Energy: 0.6581084059031266 Energy: 0.016417803729694785 Energy: 0.5909968069636727 Energy: 0.6581117405018019 minimum gb energy = 0.015639888185960727 eV minimum distance = 2.33795849304509 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.8097233286790001 Energy: 0.8850205476974128 Energy: 0.8850066348219074 Energy: 0.7457610225716774 Energy: 0.885020547697086 Energy: 0.8850066348219074 Energy: 0.809723328678608 Energy: 0.8850205476978049 Energy: 0.8850066348215807 Energy: 0.7457610225716774 Energy: 0.7648963614241666 Energy: 0.7430150851676137 Energy: 0.8583229303685311 Energy: 0.7648963614227289 Energy: 0.7430150851672216 Energy: 0.8583229303689234 Energy: 0.7648963614237746 Energy: 0.7430150851672216 Energy: 0.8583229303689234 Energy: 0.7648963614241666 Energy: 0.7813958897343767 Energy: 0.8550466271762307 Energy: 0.8550970180864209 Energy: 0.8405281137245877 Energy: 0.8550466271772763 Energy: 0.8550970181316464 Energy: 0.7813958897347034 Energy: 0.855046627174793 Energy: 0.8550970181528867 Energy: 0.8405281137245877 Energy: 0.8856115706312573 Energy: 0.9644176352269628 Energy: 0.6825701659999722 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======================================== Energy: 0.8766497665375046 Energy: 0.9541821942102562 Energy: 0.9543369789202263 Energy: 0.8766497665375046 Energy: 0.9541821942102562 Energy: 0.954336978921363 Energy: 0.8766497665375046 Energy: 0.9541821942102562 Energy: 0.954336978921363 Energy: 0.8766497665375046 Energy: 0.9126032296385733 Energy: 0.8980076142231112 Energy: 0.981319217988165 Energy: 0.9126032296385733 Energy: 0.8980076142231112 Energy: 0.981319217988165 Energy: 0.9126032296385733 Energy: 0.8980076142231112 Energy: 0.981319217988165 Energy: 0.9126032296385733 Energy: 0.8769636809267445 Energy: 0.9114105881097202 Energy: 0.8768360976848077 Energy: 0.8982497673257328 Energy: 0.9114105881097202 Energy: 0.8768360976848077 Energy: 0.8855643256632763 Energy: 0.9114105881097202 Energy: 0.8974658921066417 Energy: 0.8855643256632763 Energy: 0.9345986777846681 Energy: 0.9115457285499304 Energy: 0.9558166237455408 Energy: 0.9345986777846681 Energy: 0.9115457285499304 Energy: 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1.0137667378389161 Energy: 1.0348812349187704 Energy: 1.0573810204907692 Energy: 1.0281518860841794 Energy: 1.0348812349187704 Energy: 1.0573810204907692 Energy: 1.0281518860841794 Energy: 1.0348812349187704 Energy: 1.0573810204907692 Energy: 1.0281518860841794 Energy: 1.0348812349187704 Energy: 1.000627471271219 Energy: 0.9964044551517022 Energy: 1.0827282913894574 Energy: 1.000627471271219 Energy: 0.9964044551517022 Energy: 1.0827282913894574 Energy: 1.000627471271219 Energy: 0.9964044551517022 Energy: 1.0827282913894574 Energy: 1.000627471271219 Energy: 1.0012038663170664 Energy: 0.9961172550724119 Energy: 1.0000709797837755 Energy: 1.0012038663149698 Energy: 0.9961172550724119 Energy: 1.0000709797858718 Energy: 1.0012038663170664 Energy: 0.9961172550724119 Energy: 1.0000709797858718 Energy: 1.0012038663170664 Energy: 1.0166975090542072 Energy: 1.0116309594574568 Energy: 1.0295251992902845 Energy: 1.0166975090542072 Energy: 1.0116309594574568 Energy: 1.0295251992902845 Energy: 1.0166975090542072 Energy: 1.0116309594574568 Energy: 1.0295251992902845 Energy: 1.0166975090542072 Energy: 1.041517631060058 Energy: 1.0353704170864961 Energy: 1.032304568787114 Energy: 1.041517631060058 Energy: 1.0353704170864961 Energy: 1.032304568787114 Energy: 1.041517631060058 Energy: 1.0353704170864961 Energy: 1.032304568787114 Energy: 1.041517631060058 Energy: 1.0076416529680465 Energy: 1.0621215340554262 Energy: 1.043399202794551 Energy: 1.0076416529680465 Energy: 1.0621215340554262 Energy: 1.043399202794551 Energy: 1.0076416529680465 Energy: 1.0621215340554262 Energy: 1.043399202794551 Energy: 1.0076416529680465 Energy: 1.072598396991676 Energy: 1.016687670527926 Energy: 1.017010564356219 Energy: 1.072598396991676 Energy: 1.016687670527926 Energy: 1.017010564356219 Energy: 1.072598396991676 Energy: 1.016687670527926 Energy: 1.017010564356219 Energy: 1.072598396991676 minimum gb energy = 0.994052682731106 eV minimum distance = 2.28057859002548 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.0125138614164408 Energy: 1.0195020796501288 Energy: 1.019523800210244 Energy: 1.0125138614166975 Energy: 1.0195020796501288 Energy: 1.019523800210244 Energy: 1.0125138614164408 Energy: 1.0195020796503858 Energy: 1.019523800210244 Energy: 1.0125138614166975 Energy: 1.0503085428812247 Energy: 0.9849153783745205 Energy: 1.0377852339659657 Energy: 1.0503085428812247 Energy: 0.9849153783745205 Energy: 1.0377852339659657 Energy: 1.0503085428812247 Energy: 0.9849153783745205 Energy: 1.0377852339657092 Energy: 1.0503085428812247 Energy: 1.005985983609607 Energy: 0.9833851790428753 Energy: 1.0069783410116693 Energy: 1.005985983609607 Energy: 0.9833851790428753 Energy: 1.0069783410119262 Energy: 1.005985983609607 Energy: 0.9833851790428753 Energy: 1.0069783410116693 Energy: 1.005985983609607 Energy: 1.0473629172581442 Energy: 0.9842602386789632 Energy: 1.096386714006212 Energy: 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1.0377852339659657 Energy: 1.0503085428812247 Energy: 0.9849153783745205 Energy: 1.0377852339659657 Energy: 1.0503085428812247 Energy: 0.9849153783745205 Energy: 1.0377852339659657 Energy: 1.0503085428812247 Energy: 1.005985983609607 Energy: 0.9833851790428753 Energy: 1.0069783410119262 Energy: 1.0059859836093503 Energy: 0.9833851790428753 Energy: 1.0069783410119262 Energy: 1.005985983609607 Energy: 0.9833851790428753 Energy: 1.0069783410119262 Energy: 1.005985983609607 Energy: 1.0473629172578875 Energy: 0.9842602386789632 Energy: 1.0963867140067254 Energy: 1.0473629172578875 Energy: 0.9842602386792199 Energy: 1.0963867140064687 Energy: 1.0473629172578875 Energy: 0.9842602386789632 Energy: 1.0963867140064687 Energy: 1.0473629172581442 Energy: 1.0485841704632584 Energy: 0.9837380257819507 Energy: 1.011396097753614 Energy: 1.0485841704642855 Energy: 0.9837380257819507 Energy: 1.011396097753614 Energy: 1.048584170463772 Energy: 0.9837380257822076 Energy: 1.0113960977533571 Energy: 1.0485841704640286 Energy: 0.9839543944693564 Energy: 1.0778635414842097 Energy: 1.0591535657217317 Energy: 0.9839543944693564 Energy: 1.0778635414842097 Energy: 1.0591535657219884 Energy: 0.9839543944693564 Energy: 1.0778635414842097 Energy: 1.0591535657217317 Energy: 0.983954394469613 Energy: 0.9848396978299409 Energy: 0.9845929859567847 Energy: 1.0308955748353967 Energy: 0.9848396978301978 Energy: 0.9845929859567847 Energy: 1.0308955748353967 Energy: 0.9848396978304543 Energy: 0.9845929859567847 Energy: 1.0308955748353967 Energy: 0.9848396978304543 Energy: 1.0894071137268082 Energy: 1.030186147898005 Energy: 1.029776015772444 Energy: 1.0894071137268082 Energy: 1.0301861478985184 Energy: 1.0297760157721874 Energy: 1.0894071137268082 Energy: 1.030186147898005 Energy: 1.0297760157721874 Energy: 1.0894071137268082 Energy: 0.9847970388269768 Energy: 1.0307128710540001 Energy: 0.9843906323134816 Energy: 0.9847970388272335 Energy: 1.0307128710540001 Energy: 0.9843906323132247 Energy: 0.9847970388272335 Energy: 1.0307128710540001 Energy: 0.9843906323134816 Energy: 0.9847970388269768 Energy: 0.9839263539804246 Energy: 1.0589203796806859 Energy: 1.0778166441777042 Energy: 0.9839263539804246 Energy: 1.0589203796806859 Energy: 1.0778166441779606 Energy: 0.9839263539804246 Energy: 1.0589203796806859 Energy: 1.0778166441777042 Energy: 0.9839263539804246 Energy: 1.0477135242942166 Energy: 1.011209302255372 Energy: 0.9836076818079813 Energy: 1.0477135242942166 Energy: 1.011209302255372 Energy: 0.9836076818082381 Energy: 1.0477135242942166 Energy: 1.011209302255372 Energy: 0.9836076818074678 Energy: 1.0477135242942166 Energy: 1.0473720946326832 Energy: 1.0963536544645822 Energy: 0.9842871105681043 Energy: 1.0473720946326832 Energy: 1.0963536544643255 Energy: 0.9842871105681043 Energy: 1.0473720946326832 Energy: 1.0963536544643255 Energy: 0.9842871105681043 Energy: 1.0473720946326832 minimum gb energy = 0.9833581249909632 eV minimum distance = 2.27433644217556 Angstroms sigma value = 293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.9956080124007214 Energy: 0.996558381588407 Energy: 0.9965275299268485 Energy: 0.9956080124007214 Energy: 0.9965583815879429 Energy: 0.9965275299268485 Energy: 0.9956080124007214 Energy: 0.996558381588407 Energy: 0.9965275299268485 Energy: 0.9956080124007214 Energy: 0.9936217442527528 Energy: 0.995826786564806 Energy: 0.9956463251062576 Energy: 0.9936217442527528 Energy: 0.9958267865643419 Energy: 0.9956463251062576 Energy: 0.993621744253217 Energy: 0.995826786564806 Energy: 0.9956463251062576 Energy: 0.993621744253217 Energy: 0.994721992164284 Energy: 0.9947987198357322 Energy: 1.0819097243151783 Energy: 0.994721992164284 Energy: 0.9947987198357322 Energy: 1.0819097243151783 Energy: 0.994721992164284 Energy: 0.9947987198357322 Energy: 1.0819097243151783 Energy: 0.994721992164284 Energy: 1.0818479795336415 Energy: 0.9943606639126829 Energy: 0.994767990974448 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0.9974633688720465 Energy: 0.9562173936770422 Energy: 0.9501458359426884 Energy: 0.9974633688720465 Energy: 0.9562173936770422 Energy: 0.9501458359426884 Energy: 0.9974633688720465 Energy: 0.9562173936749386 Energy: 0.9501458359426884 Energy: 0.9751339965224292 Energy: 1.0793748023850451 Energy: 0.9731585091190145 Energy: 0.9751339965224292 Energy: 1.0793748023850451 Energy: 0.9731585091190145 Energy: 0.9751339965224292 Energy: 1.0793748023850451 Energy: 0.9731585091169109 Energy: 0.9751339965224292 minimum gb energy = 0.9492658557855116 eV minimum distance = 2.27296882159515 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.9169673524771063 Energy: 0.9275107771292144 Energy: 0.9172085140212419 Energy: 0.9169673524771063 Energy: 0.9275107771292144 Energy: 0.9172085140212419 Energy: 0.9169673524771063 Energy: 0.9275107771299806 Energy: 0.9172085140212419 Energy: 0.9169673524771063 Energy: 0.9429781712442352 Energy: 0.8973245276576101 Energy: 0.9093560971654145 Energy: 0.9429781712266093 Energy: 0.8973245276576101 Energy: 0.9093560971654145 Energy: 0.9429781714219595 Energy: 0.8973245276576101 Energy: 0.9093560971654145 Energy: 0.9429781714096979 Energy: 1.0177037432861777 Energy: 0.8897728703164997 Energy: 0.9561926145476891 Energy: 1.0104386016623077 Energy: 0.8897728703164997 Energy: 0.9561926145469227 Energy: 1.0104386016615414 Energy: 0.8897728703164997 Energy: 0.9902803050299511 Energy: 1.0104386016623077 Energy: 1.00379450958104 Energy: 1.0093161810000175 Energy: 0.9406511680837248 Energy: 1.00379450958104 Energy: 1.009316180999251 Energy: 0.9406511680837248 Energy: 1.00379450958104 Energy: 1.0093161810000175 Energy: 0.9406511680837248 Energy: 1.00379450958104 Energy: 0.939774722962987 Energy: 0.9060238091060157 Energy: 0.9935332708690838 Energy: 0.939774722962987 Energy: 0.9060238091060157 Energy: 0.9935332708690838 Energy: 0.939774722962987 Energy: 0.9060238091060157 Energy: 0.9935332708690838 Energy: 0.939774722962987 Energy: 0.9401240115683507 Energy: 1.0398823001592674 Energy: 0.8971668377228939 Energy: 0.9401240115683507 Energy: 1.0398823001592674 Energy: 0.8971668377228939 Energy: 0.9401240115683507 Energy: 1.0398823001592674 Energy: 0.8971668377236601 Energy: 0.9401240115683507 Energy: 0.943540279523107 Energy: 0.9186958328061753 Energy: 0.8894635834429436 Energy: 0.9435402795246399 Energy: 0.9186958328061753 Energy: 0.8894635834429436 Energy: 0.9435402795292379 Energy: 0.9186958328061753 Energy: 0.8894635834429436 Energy: 0.9435402795330697 Energy: 0.9272464114625426 Energy: 1.0628146290787932 Energy: 0.9021871419785502 Energy: 0.9272464114625426 Energy: 1.0628146290787932 Energy: 0.9021871419777838 Energy: 0.9272464114625426 Energy: 1.0628146290787932 Energy: 0.9021871419777838 Energy: 0.9272464114625426 Energy: 1.054968007001065 Energy: 0.9066948674670723 Energy: 0.90607114262186 Energy: 1.054968007001065 Energy: 0.9066948674678388 Energy: 0.90607114262186 Energy: 1.0549680070018312 Energy: 0.9066948674678388 Energy: 0.90607114262186 Energy: 1.054968007001065 Energy: 1.0005588545757047 Energy: 0.9390912104865955 Energy: 1.010240034222081 Energy: 1.0005588545757047 Energy: 0.9390912104865955 Energy: 1.0102400334714035 Energy: 1.0005588545749382 Energy: 0.9390912104865955 Energy: 1.0102400318811515 Energy: 1.0005588545757047 Energy: 0.9851186076215473 Energy: 0.8951818512863559 Energy: 0.9270235712277769 Energy: 0.9851186076215473 Energy: 0.8951818512863559 Energy: 0.9270235712277769 Energy: 0.9851186076215473 Energy: 0.8951818512855895 Energy: 0.9270235712277769 Energy: 0.9851186076215473 Energy: 0.9401783562696719 Energy: 0.8999238946773607 Energy: 0.9149797472612309 Energy: 0.9401783562696719 Energy: 0.899923894678127 Energy: 0.9149797472604645 Energy: 0.9401783562696719 Energy: 0.8999238946773607 Energy: 0.9149797472604645 Energy: 0.9401783562696719 Energy: 0.9063208392787598 Energy: 0.9502523707180657 Energy: 0.9061766944254961 Energy: 0.9063208392787598 Energy: 0.9502523707188322 Energy: 0.9061766944254961 Energy: 0.9063208392787598 Energy: 0.9502523707195986 Energy: 0.9061766944254961 Energy: 0.9063208392787598 Energy: 0.9122335939996189 Energy: 0.8980498874839532 Energy: 0.9044386555362766 Energy: 0.9122335939996189 Energy: 0.8980498874839532 Energy: 0.9044386555370428 Energy: 0.9122335939996189 Energy: 0.8980498874839532 Energy: 0.9044386555370428 Energy: 0.9122335939996189 minimum gb energy = 0.8894635834429436 eV minimum distance = 2.28516356702335 Angstroms sigma value = 33