Model name: model_name=SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000
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=3.633761629462242
cohesive_energy=1.552270683108943
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: -2.5491213275734 eV

========================================
theta = 0.0
========================================

Energy: 0.0067412166648508085
Energy: 0.337009416941787
Energy: 0.337009416941787
Energy: 0.0067412166648508085
Energy: 0.337009416941787
Energy: 0.337009416941787
Energy: 0.0067412166648508085
Energy: 0.337009416941787
Energy: 0.337009416941787
Energy: 0.0067412166648508085
Energy: 0.33367133170988017
Energy: 0.009766065131904016
Energy: 0.3337993568765229
Energy: 0.33367133170988017
Energy: 0.009766065131904016
Energy: 0.33379935687509227
Energy: 0.33367133170988017
Energy: 0.009766065131904016
Energy: 0.33379935687509227
Energy: 0.33367133170988017
Energy: 0.5163308026812481
Energy: 0.3515482326718684
Energy: 0.5130644257602024
Energy: 0.5700991662822149
Energy: 0.3515482326718684
Energy: 0.3515482326718684
Energy: 0.7701681268116153
Energy: 0.3515482326718684
Energy: 0.17694914238763165
Energy: 0.7701681268116153
Energy: 0.33367133170988017
Energy: 0.33379935687509227
Energy: 0.009766065131904016
Energy: 0.33367133170988017
Energy: 0.33379935687509227
Energy: 0.009766065131904016
Energy: 0.33367133170988017
Energy: 0.33379935687509227
Energy: 0.009766065131904016
Energy: 0.33367133170988017
Energy: 0.0067412166648508085
Energy: 0.337009416941787
Energy: 0.337009416941787
Energy: 0.0067412166648508085
Energy: 0.337009416941787
Energy: 0.337009416941787
Energy: 0.0067412166648508085
Energy: 0.337009416941787
Energy: 0.337009416941787
Energy: 0.0067412166648508085
Energy: 0.33367133170988017
Energy: 0.009766065131904016
Energy: 0.33379935687509227
Energy: 0.33367133170988017
Energy: 0.009766065131904016
Energy: 0.33379935687509227
Energy: 0.33367133170988017
Energy: 0.009766065131904016
Energy: 0.33379935687509227
Energy: 0.33367133170988017
Energy: 0.7701681268116153
Energy: 0.006981528150054243
Energy: 0.19850158561721426
Energy: 0.7701681268101848
Energy: 0.006981528150054243
Energy: 0.19850158561721426
Energy: 0.7701681268116153
Energy: 0.006981528150054243
Energy: 0.5713762014272212
Energy: 0.7701681268101848

minimum gb energy = 0.0067412166648508085 eV
minimum distance =  2.35761972076027 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.957777044239117
Energy: 1.012882678132854
Energy: 0.7583158106486101
Energy: 0.9577770442387665
Energy: 1.0128826781335547
Energy: 0.8167836726607255
Energy: 0.9577770442387665
Energy: 1.0128826781342555
Energy: 0.7583158106486101
Energy: 0.8039495501181254
Energy: 0.7682291488689716
Energy: 0.9473993687344991
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Energy: 0.9473993687352
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Energy: 0.9473993687352
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Energy: 0.875902274647625
Energy: 0.9096016901355176
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Energy: 0.8807971221263078
Energy: 0.9096016901253551
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Energy: 0.8759022746472747
Energy: 0.909601690134116
Energy: 0.9578270453402824
Energy: 0.8807971221263078
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Energy: 1.070437079041237
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Energy: 0.9683065815358691
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Energy: 1.044335913783137
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Energy: 0.9631878951273725
Energy: 1.0443359137827866
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Energy: 0.8117727042016675
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Energy: 0.6993994812710138
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Energy: 0.768139019623364
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Energy: 0.9295488221379349
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Energy: 0.9471198012665684
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Energy: 0.9634946058944055
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Energy: 0.9546077482928528
Energy: 0.6582032971827684
Energy: 0.9870242316133031
Energy: 0.6996116183413542
Energy: 1.0463302526586593
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Energy: 0.9870242316133031
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Energy: 1.0463302526590097
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Energy: 0.7707277482399123
Energy: 0.9877231536180247
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Energy: 0.987723153617674
Energy: 0.8122632779989696
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Energy: 0.9877231536180247
Energy: 0.812263278000021
Energy: 0.7707277482395619
Energy: 0.8010629185730495
Energy: 1.0163920564804616
Energy: 0.7680725291981099
Energy: 0.8010629185726991
Energy: 1.0163920564794102
Energy: 0.7685378595645882
Energy: 0.8010629185730495
Energy: 1.0163920564794102
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Energy: 0.7613901237791026
Energy: 0.9577770442394674
Energy: 1.0128826781332045
Energy: 0.7624723770013767
Energy: 0.957777044239117
Energy: 1.0128826781346063
Energy: 0.7613901237805044
Energy: 0.9577770442387665
Energy: 1.0128826781346063
Energy: 0.7624723770013767
Energy: 0.8039495501181254
Energy: 0.7682291488689716
Energy: 0.9473993687344991
Energy: 0.8039495501174245
Energy: 0.7682291488693223
Energy: 0.9473993687352
Energy: 0.8039495501167236
Energy: 0.7682291488689716
Energy: 0.9473993687352
Energy: 0.8039495501174245
Energy: 0.8306276577434579
Energy: 0.9096016901271072
Energy: 0.9578270453399318
Energy: 0.8328181215664094
Energy: 0.9096016901260559
Energy: 0.9578270453395815
Energy: 0.8306276577427572
Energy: 0.9096016901313124
Energy: 0.9578270453399318
Energy: 0.8328181215667598
Energy: 0.957738869919047
Energy: 1.070437079041237
Energy: 0.6998181213445199
Energy: 0.957738869919047
Energy: 1.070437079041938
Energy: 0.6998181213441695
Energy: 0.9577388699197479
Energy: 1.0704370790422881
Energy: 0.6998181213441695
Energy: 0.9577388699197479

minimum gb energy = 0.658203297180666 eV
minimum distance =  2.37830816527124 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.7417556635769363
Energy: 0.7415860676237621
Energy: 0.9148636552729457
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minimum gb energy = 0.7415860676237621 eV
minimum distance =  2.25897534025172 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.9606111693810113
Energy: 0.9246363052702756
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Energy: 0.9246234580862024
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Energy: 0.9246363052683466
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Energy: 0.9155600281181621
Energy: 0.9317678003738662
Energy: 0.8786264928650867
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Energy: 0.918877996099642
Energy: 0.8786224906659811
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Energy: 0.8786264928650867
Energy: 0.9692679987661739
Energy: 1.0196827783246762
Energy: 0.9370475672733125
Energy: 0.9461951723471861
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Energy: 1.0196827783246762
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Energy: 0.9530637260323009
Energy: 0.9120119564446771
Energy: 0.8652133840523057
Energy: 0.9139362525852542
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Energy: 0.9909403461852432
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Energy: 0.9350463787186396
Energy: 0.9636514009217629
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Energy: 0.9067240350360505
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Energy: 0.997937695860627
Energy: 0.9067295760770719
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Energy: 0.997937695860627
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Energy: 0.9067295760790007
Energy: 0.9691908370596845
Energy: 0.8996691134162526
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Energy: 0.8996691134162526
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Energy: 0.9691908370596845
Energy: 0.8996691134181817
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Energy: 0.9146040624511892
Energy: 0.9375249512528258
Energy: 0.9001228334634556
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Energy: 0.940604707152696
Energy: 0.9406611052400202
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Energy: 0.9844355549448148
Energy: 0.9577018039348346
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Energy: 0.9567789632052597
Energy: 0.9335242838132052
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Energy: 0.9335242838132052
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Energy: 0.9567789632071886
Energy: 0.965381210052495
Energy: 1.0322969230818306
Energy: 0.968573789152588
Energy: 0.9519160735446749
Energy: 1.0169537155886166
Energy: 0.968573789152588
Energy: 0.941215661899815
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Energy: 0.968573789152588
Energy: 0.9365721477037102
Energy: 0.9417231381790147
Energy: 0.9366719704705178
Energy: 0.8768199994889975
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Energy: 0.8768199994889975
Energy: 0.9417231381790147
Energy: 0.9366719704705178
Energy: 0.8768199994889975
Energy: 0.9417231381790147
Energy: 0.9155233179320661
Energy: 0.9262573110161332
Energy: 0.9295661650816948
Energy: 0.9155233179320661
Energy: 0.9262573110199913
Energy: 0.9295661650816948
Energy: 0.9155233179320661
Energy: 0.9262573110257786
Energy: 0.9295661650816948
Energy: 0.9155233179320661
Energy: 0.8775419951167482
Energy: 0.9412797013591254
Energy: 0.9725564952675749
Energy: 0.8775419951186774
Energy: 0.9412797013591254
Energy: 0.9725564952675749
Energy: 0.8775419951167482
Energy: 0.9412797013591254
Energy: 0.9725564952675749
Energy: 0.8775419951167482
Energy: 0.9138315133945447
Energy: 0.9194883791872202
Energy: 0.9244550393152752
Energy: 0.9138315133945447
Energy: 0.9195802415092955
Energy: 0.924455039313346
Energy: 0.9138315133945447
Energy: 0.9194883791872202
Energy: 0.924455039313346
Energy: 0.9138315133945447
Energy: 0.9663169736522126
Energy: 0.9197220647473494
Energy: 0.9510431516352146
Energy: 0.9663169736522126
Energy: 0.919927273421606
Energy: 0.9510431516352146
Energy: 0.9663169736502835
Energy: 0.9197220647473494
Energy: 0.9510431516352146
Energy: 0.9663169736522126
Energy: 0.9276896236899512
Energy: 0.9308811166130033
Energy: 0.9061194823201233
Energy: 0.9276896236918802
Energy: 0.9308811166130033
Energy: 0.9061194823201233
Energy: 0.9276896236860933
Energy: 0.9308811166130033
Energy: 0.9061194823181942
Energy: 0.9276896236860933
Energy: 0.9149047747137988
Energy: 0.9809381723999977
Energy: 0.9071624065565564
Energy: 0.9149047747137988
Energy: 0.9819068088409811
Energy: 0.9071624065584853
Energy: 0.914904774715728
Energy: 0.9809381723999977
Energy: 0.9071624065584853
Energy: 0.914904774715728
Energy: 0.9597981711229819
Energy: 0.8759410058330953
Energy: 0.9493977900469748
Energy: 0.9597981711229819
Energy: 0.8772383931785437
Energy: 0.9493977900469748
Energy: 0.9597981711229819
Energy: 0.8759410058330953
Energy: 0.9493977900469748
Energy: 0.9597981711229819
Energy: 0.9515559716307249
Energy: 0.877938857039402
Energy: 0.9696369597609299
Energy: 0.9515559716307249
Energy: 0.8781230612949541
Energy: 0.9696369597609299
Energy: 0.9515559716287959
Energy: 0.877938857039402
Energy: 0.9696369597609299
Energy: 0.9515559716307249

minimum gb energy = 0.8652133840523057 eV
minimum distance =  2.30829416394069 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.8815259765125284
Energy: 0.9011223323657386
Energy: 0.901173703576914
Energy: 0.8815259765125284
Energy: 0.9011223323657386
Energy: 0.9011737035775762
Energy: 0.8815259765125284
Energy: 0.9011223323657386
Energy: 0.9011737035789006
Energy: 0.8815259765118661
Energy: 0.9049116855622388
Energy: 0.8896751788493473
Energy: 0.9261722258313987
Energy: 0.904911685501989
Energy: 0.8896751788493473
Energy: 0.9261723569283732
Energy: 0.904911685488097
Energy: 0.8896751788493473
Energy: 0.9261722599909518
Energy: 0.904911685488097
Energy: 0.8721495151865873
Energy: 0.8845231196081239
Energy: 0.8457331818118821
Energy: 0.8721495151733573
Energy: 0.8845230686944856
Energy: 0.8457331818118821
Energy: 0.8721495152229959
Energy: 0.8845231165075318
Energy: 0.8457331818125443
Energy: 0.8721495150535353
Energy: 0.9073456017602154
Energy: 0.8965030188218778
Energy: 0.8891330468721031
Energy: 0.9073755924228855
Energy: 0.8967820323846586
Energy: 0.8891330468721031
Energy: 0.9073377662458483
Energy: 0.896781494163195
Energy: 0.8891330468721031
Energy: 0.9073222322048738
Energy: 0.8537936470889909
Energy: 0.8898530269353558
Energy: 0.8559331912463894
Energy: 0.8537936470889909
Energy: 0.8898530269353558
Energy: 0.855933190664528
Energy: 0.8537936470889909
Energy: 0.8898530269353558
Energy: 0.8559331912132921
Energy: 0.8537936470889909
Energy: 0.8899029010566113
Energy: 0.9694754839198055
Energy: 0.9048788024485714
Energy: 0.8899029010566113
Energy: 0.9694754839191433
Energy: 0.9043514492687482
Energy: 0.8899029010566113
Energy: 0.9694754839191433
Energy: 0.90435977406023
Energy: 0.8899029010566113
Energy: 0.9004479329342168
Energy: 0.8487451070778557
Energy: 0.900701612004851
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Energy: 0.900701612004851
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Energy: 0.8487451070778557
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Energy: 0.9004479329355414
Energy: 0.9400725781233217
Energy: 0.888491436105109
Energy: 0.8886719973923898
Energy: 0.9400725781233217
Energy: 0.888491436105109
Energy: 0.8886719973923898
Energy: 0.9400725781226593
Energy: 0.888491436105109
Energy: 0.8886719973923898
Energy: 0.9400725781233217
Energy: 0.9005529131825616
Energy: 0.9007374467754509
Energy: 0.8486352004235981
Energy: 0.9005529131825616
Energy: 0.9007374467747885
Energy: 0.8486352004235981
Energy: 0.9005529131818993
Energy: 0.9007374467668566
Energy: 0.8486352004235981
Energy: 0.9005529131825616
Energy: 0.8897327872065327
Energy: 0.904693419188787
Energy: 0.9688767769528701
Energy: 0.8897327872065327
Energy: 0.904691447690022
Energy: 0.9688767769528701
Energy: 0.8897327872065327
Energy: 0.9046889404190329
Energy: 0.9688767769522078
Energy: 0.8897327872065327
Energy: 0.8541959517616802
Energy: 0.8560523547003159
Energy: 0.8897634933644343
Energy: 0.8541959517623423
Energy: 0.8560523547003159
Energy: 0.8897634933644343
Energy: 0.8541959517623423
Energy: 0.8560523546996537
Energy: 0.8897634933644343
Energy: 0.8541959517623423
Energy: 0.9077522985090029
Energy: 0.8890585269273329
Energy: 0.8982291513796626
Energy: 0.9077475615322373
Energy: 0.8890585269273329
Energy: 0.8982291500689805
Energy: 0.907752589560912
Energy: 0.8890585269273329
Energy: 0.898229163347821
Energy: 0.9077471061697335
Energy: 0.8720541731467696
Energy: 0.8459300928394567
Energy: 0.8842719104040386
Energy: 0.8720541731474318
Energy: 0.8459300928394567
Energy: 0.8842719067943873
Energy: 0.8720541731712578
Energy: 0.8459300928394567
Energy: 0.8842719077409827
Energy: 0.8720541731394849
Energy: 0.904656699786142
Energy: 0.9259635646401804
Energy: 0.8892631518627271
Energy: 0.9046566965405776
Energy: 0.9259635647831659
Energy: 0.8892631518627271
Energy: 0.9046566961109582
Energy: 0.9259635646044337
Energy: 0.8892631518620648
Energy: 0.9046566961586252
Energy: 0.8815259765118661
Energy: 0.9011223323657386
Energy: 0.901173703576914
Energy: 0.8815259765125284
Energy: 0.9011223323657386
Energy: 0.901173703576914
Energy: 0.8815259765125284
Energy: 0.9011223323657386
Energy: 0.901173703576914
Energy: 0.8815259765125284

minimum gb energy = 0.8457331818118821 eV
minimum distance =  2.34490364928278 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 1.0246607167128665
Energy: 0.8336638012646256
Energy: 0.8350214745125897
Energy: 0.9410578433255101
Energy: 0.8336638012646256
Energy: 0.8350214745151591
Energy: 1.024660716710297
Energy: 0.8336638012646256
Energy: 0.8350214745151591
Energy: 0.9410578433255101
Energy: 0.8636623162681334
Energy: 0.775920395454573
Energy: 0.8697190409560548
Energy: 0.8636623162681334
Energy: 0.775920395454573
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Energy: 0.8636623162681334
Energy: 0.775920395454573
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Energy: 0.8636623162681334
Energy: 0.8029648486623479
Energy: 0.7719587692131881
Energy: 0.8407049718474064
Energy: 0.8106532335366852
Energy: 0.7719587692131881
Energy: 0.8116792373863954
Energy: 0.7914392428221383
Energy: 0.7719587692131881
Energy: 0.8191568970589967
Energy: 0.8023757163065511
Energy: 0.786867570516096
Energy: 0.7878184561214687
Energy: 0.7953818643392947
Energy: 0.7868675705186421
Energy: 0.7878184561240383
Energy: 0.7950480532428541
Energy: 0.7868675705212117
Energy: 0.7878184561291772
Energy: 0.7953818643392947
Energy: 0.7868675705263506
Energy: 0.7866553975546271
Energy: 0.8861197724316331
Energy: 0.7989868053655543
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Energy: 0.8861197724316331
Energy: 0.7990129466170595
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Energy: 0.8861197724316331
Energy: 0.7989868053655543
Energy: 0.7866553975546271
Energy: 0.8128990323529539
Energy: 0.7890051210442275
Energy: 0.8281936071898084
Energy: 0.8128990323529539
Energy: 0.7890051210465399
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Energy: 0.8128990323555232
Energy: 0.7890051210442275
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Energy: 0.8128990323555232
Energy: 0.7916560759974304
Energy: 0.7718343142089429
Energy: 0.8502229655277215
Energy: 0.7916560759974304
Energy: 0.7718343142089429
Energy: 0.8502229655277215
Energy: 0.7916560759974304
Energy: 0.7718343142063735
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Energy: 0.7916560759974304
Energy: 0.8629830983557707
Energy: 0.752779473172683
Energy: 0.8014514366268908
Energy: 0.8629830983557707
Energy: 0.752835558953196
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Energy: 0.8629830983557707
Energy: 0.752779473172683
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Energy: 0.8629830983557707
Energy: 0.8326733921161943
Energy: 0.8570968203810089
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Energy: 0.923120633868964
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Energy: 0.7813453182778615
Energy: 0.8294346928624934
Energy: 0.8382998288898386
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Energy: 0.8763132002271354
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Energy: 0.8179739708398035
Energy: 0.8329345876493175
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Energy: 0.7821794350548413
Energy: 0.8179739708398035
Energy: 0.8329345876493175
Energy: 0.7821794350548413
Energy: 0.8485810657692331
Energy: 0.8131897853200204
Energy: 0.8808369760623982
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Energy: 0.8131897853225665
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Energy: 0.8446408801170131
Energy: 0.8196485581478398
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Energy: 0.7788111381612522
Energy: 0.8505244749587093
Energy: 0.7831397320997915
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Energy: 0.7831397321023609
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Energy: 0.7732069160957046
Energy: 0.8422108289346422
Energy: 0.8369885492949364
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Energy: 0.7865845855970076
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Energy: 0.7865845855970076
Energy: 0.7640677066351813
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Energy: 0.7905386223998434
Energy: 0.8834095232198075
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Energy: 0.8144007225938412
Energy: 0.8348836744752128
Energy: 0.8435643040264251
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Energy: 0.8726177734815553
Energy: 0.8136633040906639
Energy: 0.8480193852924864
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Energy: 0.8136633040906639
Energy: 0.8480193852924864
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Energy: 0.8119314007729154
Energy: 0.9110021873138507
Energy: 0.7821459670965003
Energy: 0.8119314007729154
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Energy: 0.7821459670965003
Energy: 0.811931400775485
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Energy: 0.7821459670965003
Energy: 0.8227587005032048
Energy: 0.8342761789227517
Energy: 0.8328646603695995
Energy: 0.7788651287444446
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Energy: 0.8342761789227517
Energy: 0.8071831130359272
Energy: 0.9456264928105182
Energy: 0.7804626520416802
Energy: 0.8071831130359272
Energy: 0.9456264928105182
Energy: 0.7804626520416802
Energy: 0.8071831130359272
Energy: 0.9456264928105182
Energy: 0.7804626520416802
Energy: 0.8071831130359272
Energy: 0.8197648392719249
Energy: 0.7886820363696768
Energy: 0.8370455097162152
Energy: 0.9280689439406321
Energy: 0.7886820363671073
Energy: 0.8370455097162152
Energy: 0.8197648392719249
Energy: 0.7886820363671073
Energy: 0.8370455097162152
Energy: 0.9280689439406321
Energy: 0.862517668595099
Energy: 0.7712773175253332
Energy: 0.8627720695070478
Energy: 0.862517668595099
Energy: 0.7712773175227639
Energy: 0.8627720695070478
Energy: 0.862517668595099
Energy: 0.7712773175227639
Energy: 0.8627720695070478
Energy: 0.862517668595099
Energy: 0.8290206126348377
Energy: 0.7501707260607904
Energy: 0.8082718579837446
Energy: 0.8290206126348377
Energy: 0.7501707260582208
Energy: 0.7909605692944058
Energy: 0.8290206126322682
Energy: 0.7501707260607904
Energy: 0.8082718579837446
Energy: 0.8290206126348377
Energy: 0.8397442199799623
Energy: 0.8423809447360112
Energy: 0.8130428645080903
Energy: 0.8397442199799623
Energy: 0.8423809447360112
Energy: 0.8130082719563148
Energy: 0.8397442199799623
Energy: 0.8423809447360112
Energy: 0.8130428645080903
Energy: 0.8397442199799623
Energy: 0.7910700576254039
Energy: 0.9799822412560416
Energy: 0.7872767520285405
Energy: 0.7910700576254039
Energy: 0.9799822412560416
Energy: 0.7872767520285405
Energy: 0.7910700576254039
Energy: 0.9799822412560416
Energy: 0.7872767520285405
Energy: 0.7910700576254039
Energy: 0.7973250999851064
Energy: 0.7652095906609677
Energy: 0.7658944383374855
Energy: 0.7973250999851064
Energy: 0.7652095906609677
Energy: 0.7658944383374855
Energy: 0.7973250999851064
Energy: 0.7652095906609677
Energy: 0.7658944383374855
Energy: 0.7973250999851064
Energy: 0.7940729506042009
Energy: 0.8481953623660149
Energy: 0.8358537302908658
Energy: 0.7940729506067704
Energy: 0.8481953623660149
Energy: 0.8358537302934353
Energy: 0.7940729506067704
Energy: 0.8481953623660149
Energy: 0.8358537302908658
Energy: 0.7940729506067704
Energy: 0.8492670139701531
Energy: 0.7740439685698216
Energy: 0.8000689282560047
Energy: 0.8492670139701531
Energy: 0.7740439685698216
Energy: 0.8000689282560047
Energy: 0.8492670139701531
Energy: 0.7740439685698216
Energy: 0.8000689282560047
Energy: 0.8492670139701531
Energy: 0.834000526029637
Energy: 0.8340067561607214
Energy: 0.812204853167677
Energy: 0.834000526029637
Energy: 0.8340067561607214
Energy: 0.93910061798004
Energy: 0.834000526029637
Energy: 0.8340067561607214
Energy: 0.8122048533037891
Energy: 0.834000526029637
Energy: 0.7787829922564331
Energy: 0.8605051088537164
Energy: 0.8151715703944256
Energy: 0.7787829922564331
Energy: 0.8285715818720835
Energy: 0.7642949799964815
Energy: 0.7787829922564331
Energy: 0.8605051088537164
Energy: 0.8151715703944256
Energy: 0.7787829922564331
Energy: 0.7810830327349501
Energy: 0.8350049229095333
Energy: 0.8324691369401229
Energy: 0.7810830327349501
Energy: 0.8351260738971423
Energy: 0.8321656350554258
Energy: 0.7810830327349501
Energy: 0.8350049229095333
Energy: 0.8324691369401229
Energy: 0.7810830327349501
Energy: 0.7853224034238874
Energy: 0.7926476441859194
Energy: 0.7874316554393742
Energy: 0.7853224034238874
Energy: 0.7926423324699281
Energy: 0.7874316554444898
Energy: 0.7853224034238874
Energy: 0.7926476441859194
Energy: 0.7874316554393742
Energy: 0.7853224034238874
Energy: 0.864619644374523
Energy: 0.7974325028553608
Energy: 0.8224183239985868
Energy: 0.864619644374523
Energy: 0.7973054829673384
Energy: 0.8224183239985868
Energy: 0.8646196443770925
Energy: 0.7974325028553608
Energy: 0.8224183239985868
Energy: 0.864619644374523
Energy: 0.783938184039695
Energy: 0.8459908988003106
Energy: 0.8132631964126903
Energy: 0.7839381840371253
Energy: 0.8459908988003106
Energy: 0.8132631964126903
Energy: 0.783938184039695
Energy: 0.8459908988003106
Energy: 0.8132631964126903
Energy: 0.783938184039695

minimum gb energy = 0.7501707260582208 eV
minimum distance =  2.30759512174263 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.780865158564113
Energy: 0.4326424040948123
Energy: 0.438784324608297
Energy: 0.4339189664069329
Energy: 0.4326424040948123
Energy: 0.438784324608602
Energy: 0.7808651585647228
Energy: 0.43264240409420224
Energy: 0.438784324608602
Energy: 0.4339189664069329
Energy: 0.6906189375468765
Energy: 0.43190978466302016
Energy: 0.6132675764084191
Energy: 0.5491183328443162
Energy: 0.4319097846621051
Energy: 0.7028498291294968
Energy: 0.6906189375462665
Energy: 0.4319097846621051
Energy: 0.6132675764059791
Energy: 0.5491183328443162
Energy: 0.5139803506393029
Energy: 0.4396077293953945
Energy: 0.4730192524049955
Energy: 0.48882864309648694
Energy: 0.43960772939508946
Energy: 0.502598532050711
Energy: 0.5139803506396079
Energy: 0.43960772939508946
Energy: 0.4730192524040805
Energy: 0.48882864309618185
Energy: 0.7310891290018959
Energy: 0.4395429160942837
Energy: 0.5956874562518774
Energy: 0.731089129001591
Energy: 0.4395429160945887
Energy: 0.5668936534382387
Energy: 0.731089129001591
Energy: 0.4395429160945887
Energy: 0.5956874562524873
Energy: 0.7310891290018959
Energy: 0.44589380425152336
Energy: 0.43087700903008885
Energy: 0.5741807649670401
Energy: 0.4458938042512183
Energy: 0.43087700903008885
Energy: 0.4540118282559167
Energy: 0.4458938042512183
Energy: 0.4308770090303939
Energy: 0.5741807649673452
Energy: 0.44589380425152336
Energy: 0.649596271298528
Energy: 0.6823806437347435
Energy: 0.6528210379775863
Energy: 0.649596271298528
Energy: 0.6176041920264173
Energy: 0.5659269755940709
Energy: 0.649596271298528
Energy: 0.6823806437335235
Energy: 0.6528210379778913
Energy: 0.649596271298528
Energy: 0.4480734712326419
Energy: 0.5949156701561295
Energy: 0.7246902530257029
Energy: 0.448073471232947
Energy: 0.5948071125658996
Energy: 0.7246902530253979
Energy: 0.448073471232947
Energy: 0.5949156701561295
Energy: 0.7246902530263128
Energy: 0.4480734712326419
Energy: 0.6390097722445711
Energy: 0.4874501231833383
Energy: 0.4372058153163671
Energy: 0.6390097722451811
Energy: 0.5512124342481016
Energy: 0.43720581531606206
Energy: 0.639009772244876
Energy: 0.48745012318425335
Energy: 0.43720581531606206
Energy: 0.6390097722445711
Energy: 0.5380056883369573
Energy: 0.6017002424668964
Energy: 0.44139728403188416
Energy: 0.5080805607449661
Energy: 0.6322029969006908
Energy: 0.44139728403218914
Energy: 0.5380056883372624
Energy: 0.6017002424665915
Energy: 0.4413972840327992
Energy: 0.5080805607449661
Energy: 0.516293429930946
Energy: 0.5091344539579485
Energy: 0.43248588941544336
Energy: 0.49584931624313267
Energy: 0.47948376096342765
Energy: 0.43248588941544336
Energy: 0.516293429930946
Energy: 0.5091344539579485
Energy: 0.4324858894151384
Energy: 0.49584931624221773
Energy: 0.6327333162547925
Energy: 0.7043422546652798
Energy: 0.43270348981860857
Energy: 0.612743573129266
Energy: 0.7043422546652798
Energy: 0.4327034898189136
Energy: 0.6327333162541825
Energy: 0.7043422546655849
Energy: 0.4327034898192186
Energy: 0.612743573129266
Energy: 0.6684899988796459
Energy: 0.4326424040948123
Energy: 0.438784324608297
Energy: 0.5123998906900983
Energy: 0.4326424040948123
Energy: 0.43878432460890704
Energy: 0.6684899988790358
Energy: 0.43264240409420224
Energy: 0.438784324608602
Energy: 0.5123998906897932
Energy: 0.6622879941710269
Energy: 0.43190978466302016
Energy: 0.664871140082409
Energy: 0.5767081942296246
Energy: 0.4319097846621051
Energy: 0.6358303887627835
Energy: 0.662287994171332
Energy: 0.4319097846621051
Energy: 0.6648711400821039
Energy: 0.5767081942293195
Energy: 0.51626231231099
Energy: 0.4396077293956995
Energy: 0.4714124825240353
Energy: 0.49704602614096316
Energy: 0.4396077293953945
Energy: 0.5004721893272807
Energy: 0.5162623123112949
Energy: 0.43960772939508946
Energy: 0.47141248252434037
Energy: 0.4970460261412681
Energy: 0.7310891290022009
Energy: 0.4395429160942837
Energy: 0.5678778420223332
Energy: 0.731089129001591
Energy: 0.4395429160945887
Energy: 0.5942236824240484
Energy: 0.731089129001591
Energy: 0.4395429160945887
Energy: 0.5678778420220282
Energy: 0.7310891290018959
Energy: 0.44589380425152336
Energy: 0.43087700903008885
Energy: 0.5514774867383596
Energy: 0.4458938042512183
Energy: 0.43087700903008885
Energy: 0.4878902940737472
Energy: 0.4458938042512183
Energy: 0.4308770090303939
Energy: 0.5514774867386646
Energy: 0.44589380425152336
Energy: 0.649596271298528
Energy: 0.6823806437344385
Energy: 0.6528210379775863
Energy: 0.6495962712982231
Energy: 0.6295838539962523
Energy: 0.5661714390451179
Energy: 0.649596271298528
Energy: 0.6823806437335235
Energy: 0.6528210379778913
Energy: 0.6495962712988331
Energy: 0.4480734712326419
Energy: 0.5949156701561295
Energy: 0.7246902530257029
Energy: 0.448073471232947
Energy: 0.6229328162905656
Energy: 0.7246902530257029
Energy: 0.4480734712326419
Energy: 0.5949156701561295
Energy: 0.724690253026008
Energy: 0.4480734712326419
Energy: 0.639009772243656
Energy: 0.45395118390659794
Energy: 0.4372058153163671
Energy: 0.639009772243961
Energy: 0.5741526511548797
Energy: 0.43720581531606206
Energy: 0.639009772244266
Energy: 0.4539511839059879
Energy: 0.43720581531606206
Energy: 0.639009772243961
Energy: 0.6056936394808694
Energy: 0.573810662906793
Energy: 0.44139728403188416
Energy: 0.4413983858230842
Energy: 0.6309691276704551
Energy: 0.44139728403218914
Energy: 0.6056936394811744
Energy: 0.5738106629064879
Energy: 0.4413972840327992
Energy: 0.4413983858233892
Energy: 0.5502225213897365
Energy: 0.511277738271871
Energy: 0.43248588941544336
Energy: 0.48884587266638835
Energy: 0.4812396292101354
Energy: 0.43248588941544336
Energy: 0.5502225213903466
Energy: 0.5112777382712609
Energy: 0.4324858894151384
Energy: 0.48884587266608326
Energy: 0.6899274876311066
Energy: 0.7043422546652798
Energy: 0.43270348981860857
Energy: 0.5776937163514021
Energy: 0.7043422546652798
Energy: 0.43270348981860857
Energy: 0.6899274876320217
Energy: 0.7043422546655849
Energy: 0.4327034898192186
Energy: 0.5776937163510971
Energy: 0.780865158564113
Energy: 0.4326424040948123
Energy: 0.438784324608297
Energy: 0.43391896640723787
Energy: 0.4326424040948123
Energy: 0.438784324608602
Energy: 0.7808651585647228
Energy: 0.43264240409420224
Energy: 0.438784324608602
Energy: 0.43391896640723787
Energy: 0.6906189375468765
Energy: 0.43190978466302016
Energy: 0.6132675764044541
Energy: 0.5491183328446212
Energy: 0.4319097846621051
Energy: 0.7028498291294968
Energy: 0.6906189375462665
Energy: 0.4319097846621051
Energy: 0.6132675764050641
Energy: 0.5491183328455362
Energy: 0.5139803506389979
Energy: 0.4396077293956995
Energy: 0.4730192524049955
Energy: 0.48882864309648694
Energy: 0.4396077293953945
Energy: 0.502598532050711
Energy: 0.5139803506396079
Energy: 0.43960772939508946
Energy: 0.4730192524040805
Energy: 0.4888286430958769
Energy: 0.7310891290022009
Energy: 0.4395429160942837
Energy: 0.5956874562518774
Energy: 0.731089129001591
Energy: 0.4395429160945887
Energy: 0.5668936534382387
Energy: 0.731089129001591
Energy: 0.4395429160945887
Energy: 0.5956874562524873
Energy: 0.7310891290018959
Energy: 0.44589380425152336
Energy: 0.43087700903008885
Energy: 0.5741807649670401
Energy: 0.4458938042512183
Energy: 0.43087700903008885
Energy: 0.45401182825561165
Energy: 0.4458938042512183
Energy: 0.4308770090303939
Energy: 0.5741807649673452
Energy: 0.44589380425152336
Energy: 0.649596271298528
Energy: 0.6823806437344385
Energy: 0.6528210379775863
Energy: 0.649596271298528
Energy: 0.6176041920270272
Energy: 0.5659269755940709
Energy: 0.649596271298528
Energy: 0.6823806437335235
Energy: 0.6528210379778913
Energy: 0.649596271298528
Energy: 0.4480734712326419
Energy: 0.5949156701561295
Energy: 0.7246902530257029
Energy: 0.448073471232947
Energy: 0.5948071125658996
Energy: 0.7246902530257029
Energy: 0.448073471232947
Energy: 0.5949156701561295
Energy: 0.7246902530263128
Energy: 0.4480734712326419
Energy: 0.639009772243656
Energy: 0.4874501231833383
Energy: 0.4372058153163671
Energy: 0.639009772243961
Energy: 0.5512124342477965
Energy: 0.43720581531606206
Energy: 0.639009772244266
Energy: 0.48745012318425335
Energy: 0.43720581531606206
Energy: 0.6390097722433511
Energy: 0.5380056883372624
Energy: 0.6017002424668964
Energy: 0.44139728403188416
Energy: 0.5080805607449661
Energy: 0.6322029969003858
Energy: 0.44139728403218914
Energy: 0.5380056883369573
Energy: 0.6017002424665915
Energy: 0.4413972840327992
Energy: 0.5080805607449661
Energy: 0.516293429930946
Energy: 0.5091344539579485
Energy: 0.43248588941544336
Energy: 0.49584931624282774
Energy: 0.47948376096342765
Energy: 0.43248588941544336
Energy: 0.516293429930946
Energy: 0.5091344539579485
Energy: 0.4324858894151384
Energy: 0.49584931624221773
Energy: 0.6327333162544875
Energy: 0.7043422546652798
Energy: 0.43270348981830353
Energy: 0.612743573129266
Energy: 0.7043422546652798
Energy: 0.4327034898189136
Energy: 0.6327333162541825
Energy: 0.7043422546655849
Energy: 0.4327034898192186
Energy: 0.612743573129266

minimum gb energy = 0.43087700903008885 eV
minimum distance =  2.3836225380206 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.7636600136006467
Energy: 0.7690824230600176
Energy: 0.7759448195785845
Energy: 0.7400481501842745
Energy: 0.7690824230600176
Energy: 0.7759448195785845
Energy: 0.7636600136006467
Energy: 0.7690824230600176
Energy: 0.7759448195785845
Energy: 0.7400481501842745
Energy: 0.7875710297198772
Energy: 0.7301243166878687
Energy: 0.7461677944085832
Energy: 0.7875710297198772
Energy: 0.7301243166878687
Energy: 0.7461677944085832
Energy: 0.7875710297198772
Energy: 0.7301243166861943
Energy: 0.7461677944085832
Energy: 0.7875710297198772
Energy: 0.7710470996767427
Energy: 0.7465276449228743
Energy: 0.7514241150830434
Energy: 0.7710470996767427
Energy: 0.7465276449228743
Energy: 0.7514241150830434
Energy: 0.7606848915258242
Energy: 0.7465276449228743
Energy: 0.7514241150830434
Energy: 0.7606848915258242
Energy: 0.8421487028990183
Energy: 0.7363451639315619
Energy: 0.7382804469046523
Energy: 0.8421487028990183
Energy: 0.7363451639315619
Energy: 0.7382804469046523
Energy: 0.8421487028990183
Energy: 0.7363451639315619
Energy: 0.7382804469046523
Energy: 0.8421487028990183
Energy: 0.8086679191251428
Energy: 0.7494470645736298
Energy: 0.7308780694615121
Energy: 0.8086679191251428
Energy: 0.7494470645736298
Energy: 0.7308780694615121