Model name: model_name=EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_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=3.587871603667736 cohesive_energy=3.5216851723143447 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: 0.01563987005224424 Energy: 0.3242563132564223 Energy: 0.3242563132564223 Energy: 0.01563987005224424 Energy: 0.3242563132564223 Energy: 0.32425631325788973 Energy: 0.01563987005224424 Energy: 0.32425631325788973 Energy: 0.32425631325788973 Energy: 0.01563987005224424 Energy: 0.3219829539142006 Energy: 0.018751415921584177 Energy: 0.322044764795789 Energy: 0.3219829539142006 Energy: 0.018751415921584177 Energy: 0.322044764795789 Energy: 0.3219829539142006 Energy: 0.018751415921584177 Energy: 0.322044764795789 Energy: 0.3219829539142006 Energy: 0.608305561375731 Energy: 0.5956919845495856 Energy: 0.44704171272133425 Energy: 0.6081836203761535 Energy: 0.5956919845495856 Energy: 0.5956919845495856 Energy: 0.6582492984170114 Energy: 0.4470998120618255 Energy: 0.5917384467464476 Energy: 0.6582509842674357 Energy: 0.3219829539142006 Energy: 0.322044764795789 Energy: 0.018751415921584177 Energy: 0.3219829539142006 Energy: 0.322044764795789 Energy: 0.018751415921584177 Energy: 0.3219829539142006 Energy: 0.322044764795789 Energy: 0.018751415921584177 Energy: 0.3219829539142006 Energy: 0.01563987005224424 Energy: 0.3242563132564223 Energy: 0.3242563132564223 Energy: 0.01563987005224424 Energy: 0.3242563132564223 Energy: 0.32425631325788973 Energy: 0.01563987005224424 Energy: 0.32425631325788973 Energy: 0.32425631325788973 Energy: 0.01563987005224424 Energy: 0.3219829539142006 Energy: 0.018751415921584177 Energy: 0.322044764795789 Energy: 0.3219829539142006 Energy: 0.018751415921584177 Energy: 0.322044764795789 Energy: 0.3219829539142006 Energy: 0.018751415921584177 Energy: 0.322044764795789 Energy: 0.3219829539142006 Energy: 0.6582470679300981 Energy: 0.19379025034732875 Energy: 0.016401800108068847 Energy: 0.6582484572431708 Energy: 0.19379025034732875 Energy: 0.016401800108068847 Energy: 0.6582508671477626 Energy: 0.19379025034732875 Energy: 0.34322697233457944 Energy: 0.6582524302577029 minimum gb energy = 0.01563987005224424 eV minimum distance = 2.33814734387073 Angstroms sigma value = 3 ======================================== theta = 23.07391806563098 ======================================== Energy: 0.8121777834912809 Energy: 0.8877637961227468 Energy: 0.8877516162452341 Energy: 0.747895575642963 Energy: 0.8877637961223546 Energy: 0.8877516162449074 Energy: 0.8121777834905621 Energy: 0.8877637961220278 Energy: 0.8877516162445153 Energy: 0.747895575642963 Energy: 0.7668830926688266 Energy: 0.7449202603927418 Energy: 0.8599855285666855 Energy: 0.7668830926698723 Energy: 0.7449202603924151 Energy: 0.8599855285674045 Energy: 0.7668830926741858 Energy: 0.7449202603924151 Energy: 0.8599855285674045 Energy: 0.7668830926677156 Energy: 0.7971969967635663 Energy: 0.8574990591936233 Energy: 0.8577191507272455 Energy: 0.7901963414647627 Energy: 0.8574990591404247 Energy: 0.8577191507189454 Energy: 0.7971969967642851 Energy: 0.8574990592288496 Energy: 0.8577191507196643 Energy: 0.7901963414650894 Energy: 0.887898923982086 Energy: 0.9659415713269106 Energy: 0.6845025846925856 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======================================== Energy: 0.8776706237610183 Energy: 0.9553269258448753 Energy: 0.955193998377634 Energy: 0.8776706237610183 Energy: 0.9553269258448753 Energy: 0.955193998377634 Energy: 0.8776706237610183 Energy: 0.9553269258448753 Energy: 0.955193998377634 Energy: 0.8776706237610183 Energy: 0.9136785887312611 Energy: 0.9011274112990428 Energy: 0.9822470129830765 Energy: 0.9136785887312611 Energy: 0.9011274112990428 Energy: 0.9822470129830765 Energy: 0.9136785887312611 Energy: 0.9011274112990428 Energy: 0.9822470129830765 Energy: 0.9136785887312611 Energy: 0.886592942796413 Energy: 0.9125237629033006 Energy: 0.8987341992592507 Energy: 0.886592942796413 Energy: 0.9125237629033006 Energy: 0.8987341992592507 Energy: 0.886592942796413 Energy: 0.9125237629033006 Energy: 0.8987341992592507 Energy: 0.886592942796413 Energy: 0.9357362184062443 Energy: 0.9124368421889142 Energy: 0.9568073557329193 Energy: 0.9357362184062443 Energy: 0.9124368421889142 Energy: 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1.0175215217756772 Energy: 1.0124238271731107 Energy: 1.0301902657180784 Energy: 1.0175215217756772 Energy: 1.024968396074903 Energy: 1.0385610136100643 Energy: 1.03337864378051 Energy: 1.024968396074903 Energy: 1.0385610136100643 Energy: 1.03337864378051 Energy: 1.024968396074903 Energy: 1.0385610136100643 Energy: 1.03337864378051 Energy: 1.024968396074903 Energy: 1.008365344072362 Energy: 1.0615602373395958 Energy: 1.044199861737066 Energy: 1.008365344072362 Energy: 1.0615602373395958 Energy: 1.044199861737066 Energy: 1.008365344072362 Energy: 1.0615602373395958 Energy: 1.044199861737066 Energy: 1.008365344072362 Energy: 1.0734948937281517 Energy: 1.0174356259063102 Energy: 1.0178223338054992 Energy: 1.0734948937281517 Energy: 1.0174356259063102 Energy: 1.0178223338054992 Energy: 1.0734948937281517 Energy: 1.0174356259063102 Energy: 1.0178223338054992 Energy: 1.0734948937281517 minimum gb energy = 0.9948343392960952 eV minimum distance = 2.28071678629317 Angstroms sigma value = 293 ======================================== theta = 91.16938280561406 ======================================== Energy: 1.013411551820994 Energy: 1.0203225681267096 Energy: 1.0203353488367064 Energy: 1.013411551820994 Energy: 1.0203225681267096 Energy: 1.02033534883645 Energy: 1.013411551820994 Energy: 1.0203225681269663 Energy: 1.0203353488367064 Energy: 1.013411551820994 Energy: 1.0511061454658739 Energy: 0.9837917764153328 Energy: 1.0386246322451915 Energy: 1.051106145465617 Energy: 0.9837917764153328 Energy: 1.0386246322451915 Energy: 1.0511061454658739 Energy: 0.9837917764153328 Energy: 1.0386246322451915 Energy: 1.0511061454658739 Energy: 1.0066979030443077 Energy: 0.984047089229199 Energy: 1.0079269479172603 Energy: 1.006697903044051 Energy: 0.9840470892294559 Energy: 1.0079269479175172 Energy: 1.006697903044051 Energy: 0.9840470892294559 Energy: 1.0079269479175172 Energy: 1.006697903044051 Energy: 1.0482246556380623 Energy: 0.9849286384942635 Energy: 1.0973950255229572 Energy: 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1.0492982405330322 Energy: 0.9847013116409938 Energy: 1.0787549487994423 Energy: 1.0600161846802687 Energy: 0.9847013116407369 Energy: 1.0787549487994423 Energy: 1.060016184680012 Energy: 0.9847013116407369 Energy: 1.0787549487994423 Energy: 1.060016184680012 Energy: 0.9847013116407369 Energy: 0.9854817049383502 Energy: 0.9852359743348954 Energy: 1.0314735296101738 Energy: 0.9854817049383502 Energy: 0.9852359743348954 Energy: 1.0314735296101738 Energy: 0.9854817049380934 Energy: 0.9852359743346385 Energy: 1.0314735296101738 Energy: 0.9854817049383502 Energy: 1.0903381373411434 Energy: 1.030764684632594 Energy: 1.0305816112134203 Energy: 1.0903381373411434 Energy: 1.030764684632594 Energy: 1.0305816112131634 Energy: 1.0903381373411434 Energy: 1.0307646846323373 Energy: 1.0305816112131634 Energy: 1.0903381373411434 Energy: 0.9854418034110676 Energy: 1.0313625360769785 Energy: 0.9850531790378667 Energy: 0.9854418034110676 Energy: 1.0313625360767218 Energy: 0.9850531790378667 Energy: 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293 ======================================== theta = 101.5369590328155 ======================================== Energy: 0.9965430960667795 Energy: 0.997528040394913 Energy: 0.9974840828097827 Energy: 0.9965430960667795 Energy: 0.997528040394913 Energy: 0.9974840828097827 Energy: 0.9965430960667795 Energy: 0.997528040394913 Energy: 0.9974840828102468 Energy: 0.9965430960667795 Energy: 0.9945827552984586 Energy: 0.9967620766445471 Energy: 0.9966077663631563 Energy: 0.9945827552979944 Energy: 0.9967620766445471 Energy: 0.9966077663631563 Energy: 0.9945827552984586 Energy: 0.9967620766445471 Energy: 0.9966077663631563 Energy: 0.9945827552984586 Energy: 0.9956872925313835 Energy: 0.995757617916493 Energy: 1.0826937757679183 Energy: 0.9956872925313835 Energy: 0.995757617916493 Energy: 1.0826937757679183 Energy: 0.9956872925313835 Energy: 0.995757617916493 Energy: 1.0826937757683825 Energy: 0.9956872925313835 Energy: 1.0826222104694208 Energy: 0.9953820206388239 Energy: 0.9957327338152959 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0.9982339506197686 Energy: 0.9566426769607826 Energy: 0.9513744364797472 Energy: 0.9982339506197686 Energy: 0.9566426769607826 Energy: 0.9513744364797472 Energy: 0.9982339506197686 Energy: 0.9566426769586792 Energy: 0.9513744364797472 Energy: 0.9756940455034756 Energy: 1.0801930469606222 Energy: 0.9737160689425652 Energy: 0.9756940455034756 Energy: 1.0801930469606222 Energy: 0.9737160689404618 Energy: 0.9756940455034756 Energy: 1.0801930469606222 Energy: 0.9737160689404618 Energy: 0.9756940455034756 minimum gb energy = 0.9499675955666328 eV minimum distance = 2.27125361079005 Angstroms sigma value = 437 ======================================== theta = 117.03569178941231 ======================================== Energy: 0.9179775224111916 Energy: 0.9315347235825975 Energy: 0.9177211230817851 Energy: 0.9179775224104252 Energy: 0.9315347235825975 Energy: 0.9177211230817851 Energy: 0.9179775224104252 Energy: 0.9315347235825975 Energy: 0.9177211230817851 Energy: 0.9179775224104252 Energy: 0.9441894157894057 Energy: 0.8982060026792908 Energy: 0.9103904457918902 Energy: 0.944189415911221 Energy: 0.8982060026792908 Energy: 0.9103904457918902 Energy: 0.9441894159234825 Energy: 0.8982060026792908 Energy: 0.9103904457918902 Energy: 0.9441894156760554 Energy: 1.0113248539885475 Energy: 0.8905681674150637 Energy: 0.9914885788556017 Energy: 1.0113248539885475 Energy: 0.8905681674150637 Energy: 0.9912221667109913 Energy: 1.0113248539885475 Energy: 0.8905681674150637 Energy: 1.0032756204389588 Energy: 1.0113248539885475 Energy: 1.004395130443351 Energy: 1.0104574125008736 Energy: 0.9415365958558297 Energy: 1.0043951304425847 Energy: 1.01045741250164 Energy: 0.9415365958558297 Energy: 1.0043951304425847 Energy: 1.01045741250164 Energy: 0.9415365958558297 Energy: 1.0043951304425847 Energy: 0.9403729862631622 Energy: 0.9069556373145627 Energy: 0.9948007485541565 Energy: 0.9403729862631622 Energy: 0.9069556373145627 Energy: 0.9948007485549228 Energy: 0.9403729862631622 Energy: 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0.9075471057491056 Energy: 0.9070033225847212 Energy: 1.0563262498362262 Energy: 0.9075471057491056 Energy: 0.9070033225847212 Energy: 1.0563262498362262 Energy: 1.001551264204745 Energy: 0.940140570776197 Energy: 1.0098987411677318 Energy: 1.001551264204745 Energy: 0.9401405707769632 Energy: 1.0098987378049435 Energy: 1.001551264204745 Energy: 0.940140570776197 Energy: 1.0098987423404946 Energy: 1.001551264204745 Energy: 0.9856801656514999 Energy: 0.9516549848314974 Energy: 0.9285408450982091 Energy: 0.9856801656514999 Energy: 0.8963382419164081 Energy: 0.9285408450982091 Energy: 0.9856801656514999 Energy: 0.8963382419164081 Energy: 0.9285408450982091 Energy: 0.9856801656514999 Energy: 0.9412334396298608 Energy: 0.9008029687994926 Energy: 0.9155889949419586 Energy: 0.9412334396298608 Energy: 0.9008029687994926 Energy: 0.9155889949419586 Energy: 0.9412334396298608 Energy: 0.9008029687994926 Energy: 0.9155889949419586 Energy: 0.9412334396298608 Energy: 0.9072599837661237 Energy: 0.9512558302631741 Energy: 0.9071092677119096 Energy: 0.9072599837661237 Energy: 0.9512558302654731 Energy: 0.9071092677119096 Energy: 0.9072599837661237 Energy: 0.9512558302616413 Energy: 0.9071092677119096 Energy: 0.9072599837661237 Energy: 0.9131180064802153 Energy: 0.8989055298411904 Energy: 0.9053265025933065 Energy: 0.9131180064779163 Energy: 0.8989055298411904 Energy: 0.905326502594073 Energy: 0.9131180064786828 Energy: 0.8989055298427231 Energy: 0.905326502594073 Energy: 0.9131180064786828 minimum gb energy = 0.8902532744225792 eV minimum distance = 2.28584264615368 Angstroms sigma value = 33