Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Ni__MO_381861218831_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5226424932479863
cohesive_energy=4.240930290808195
mass=58.6934
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: 0.0 eV

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

Energy: 0.01956544952696323
Energy: 0.5862504613811776
Energy: 0.5862504613796553
Energy: 0.01956544952544093
Energy: 0.5862504613796553
Energy: 0.5862504613796553
Energy: 0.01956544952696323
Energy: 0.5862504613796553
Energy: 0.5862504613796553
Energy: 0.019565449523918626
Energy: 0.5814311836083138
Energy: 0.024187937908531458
Energy: 0.5809232906842815
Energy: 0.5814311836083138
Energy: 0.024187937910053758
Energy: 0.5809232906842815
Energy: 0.5814311836083138
Energy: 0.024187937908531458
Energy: 0.5809232906842815
Energy: 0.5814311836083138
Energy: 2.039401065516882
Energy: 0.02113102869025971
Energy: 0.613469387191208
Energy: 0.9868852946602908
Energy: 0.021131028688737407
Energy: 0.9002677792439981
Energy: 1.260868627430914
Energy: 0.02113102869025971
Energy: 1.0785579834000376
Energy: 1.2608493873284328
Energy: 0.5814311836098361
Energy: 0.5809232906858038
Energy: 0.024187937910053758
Energy: 0.5814311836113585
Energy: 0.5809232906842815
Energy: 0.024187937908531458
Energy: 0.5814311836083138
Energy: 0.5809232906873262
Energy: 0.024187937910053758
Energy: 0.5814311836113585
Energy: 0.01956544952544093
Energy: 0.5862504613781331
Energy: 0.5862504613796553
Energy: 0.01956544952696323
Energy: 0.5862504613796553
Energy: 0.5862504613781331
Energy: 0.01956544952544093
Energy: 0.5862504613796553
Energy: 0.5862504613796553
Energy: 0.01956544952696323
Energy: 0.5814311836083138
Energy: 0.024187937908531458
Energy: 0.5809232906842815
Energy: 0.5814311836083138
Energy: 0.024187937910053758
Energy: 0.5809232906873262
Energy: 0.5814311836068262
Energy: 0.024187937908531458
Energy: 0.5809232906842815
Energy: 0.5814311836098361
Energy: 1.2496085875370853
Energy: 0.6134693871927303
Energy: 0.021131028688737407
Energy: 1.0400563659712736
Energy: 0.02113102869025971
Energy: 0.02113102869025971
Energy: 1.2608644022422526
Energy: 0.02113102869025971
Energy: 0.9791804735693916
Energy: 1.2608456548878815

minimum gb energy = 0.019565449523918626 eV
minimum distance =  2.24793750411357 Angstroms
sigma value = 3


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

Energy: 1.5991843915954058
Energy: 1.6382025791909354
Energy: 1.6388031208090565
Energy: 1.379292453565545
Energy: 1.6382025791712063
Energy: 1.6388031208101415
Energy: 1.599184391592016
Energy: 1.6382025791615111
Energy: 1.6388031208090565
Energy: 1.3792924535744944
Energy: 1.4233341589819932
Energy: 1.5468716115726902
Energy: 1.597466106499941
Energy: 1.4233341589745352
Energy: 1.5468716115726902
Energy: 1.5974661065111275
Energy: 1.4233341589745352
Energy: 1.546871611583877
Energy: 1.5974661065111275
Energy: 1.4233341589782642
Energy: 1.5864038362121713
Energy: 1.7640747809204649
Energy: 1.5975192767701245
Energy: 1.5261762026392334
Energy: 1.764074780924194
Energy: 1.5975192768782618
Energy: 1.5864038362121713
Energy: 1.764074780916736
Energy: 1.5975192767999555
Energy: 1.5261762026317756
Energy: 1.6385205206020492
Energy: 1.637721058553189
Energy: 1.2704217964451316
Energy: 1.6385205206072693
Energy: 1.637721058547223
Energy: 1.2704217964525892
Energy: 1.6385205206135747
Energy: 1.6377210585714947
Energy: 1.2704217964675049
Energy: 1.6385205206042865
Energy: 1.2194871399814342
Energy: 1.709410044688237
Energy: 1.6536356860919756
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Energy: 1.7512024104425825
Energy: 1.7528940219090416
Energy: 1.2194871399702478
Energy: 1.7094100446807792
Energy: 1.6536356860957047
Energy: 1.2194871399851632
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Energy: 1.270170703966336
Energy: 1.7610772830147075
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Energy: 1.2701707039514205
Energy: 1.7610772830109787
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Energy: 1.270170703966336
Energy: 1.7610772830184365
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Energy: 1.6382558396111226
Energy: 1.2703728706514548
Energy: 1.6383689255711822
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Energy: 1.2703728706626414
Energy: 1.6383689255689449
Energy: 1.638255839589902
Energy: 1.2703728706477257
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Energy: 1.5976306176946053
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Energy: 1.5973803734238206
Energy: 1.5976306176983341
Energy: 1.5498630771202369
Energy: 1.5973803734275493
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Energy: 1.5497538688292658
Energy: 1.5973803734275493
Energy: 1.6852795198947779
Energy: 1.6380668360299426
Energy: 1.6382335786223352
Energy: 1.6870120740020689
Energy: 1.6380668360277053
Energy: 1.6382335786167759
Energy: 1.6852795198988457
Energy: 1.638066836031841
Energy: 1.6382335786200979
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Energy: 1.6415256720420628
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Energy: 1.64152567804282
Energy: 1.4457540818275836
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Energy: 1.4190556961628813
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Energy: 1.419055696147966
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Energy: 1.506987530110845
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Energy: 1.4204176771330013
Energy: 1.6081884503198585
Energy: 1.501613382082806
Energy: 1.4204166000372227
Energy: 1.5069875300959297
Energy: 1.5016133820902637
Energy: 1.420417066951929
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Energy: 1.2702474948721376
Energy: 1.638135360458549
Energy: 1.6384218901714647
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Energy: 1.6384218901714647
Energy: 1.5970046149787394
Energy: 1.6941925341717055
Energy: 1.5460137254985955
Energy: 1.5970046149973836
Energy: 1.6941925341791633
Energy: 1.546289681834167
Energy: 1.597004614986197
Energy: 1.6941925341866209
Energy: 1.5460137255060535
Energy: 1.5970046149899257
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Energy: 1.442355868204431
Energy: 1.640567545086022
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Energy: 1.6405675450815473
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Energy: 1.4512767226698757
Energy: 1.583578558987192
Energy: 1.638732927639641
Energy: 1.6391989678118057
Energy: 1.364319198186158
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Energy: 1.58357855899987
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Energy: 1.6391989678036023
Energy: 1.3643191981850056
Energy: 1.5973255817401641
Energy: 1.5496611281375852
Energy: 1.5972466450624425
Energy: 1.597325581747554
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Energy: 1.5972466450661713
Energy: 1.5973255817364354
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Energy: 1.5972466450699003
Energy: 1.5973255817438254
Energy: 1.6390503522492206
Energy: 1.638118400769101
Energy: 1.2702101604060567
Energy: 1.6390503522499664
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Energy: 1.2702101604172433
Energy: 1.639050352254441
Energy: 1.63811840076205
Energy: 1.2702101604209723
Energy: 1.6390503522481359
Energy: 1.6420651919763858
Energy: 1.4805836406463952
Energy: 1.2667977834443376
Energy: 1.6420651919018086
Energy: 1.5226163598898363
Energy: 1.266797783433219
Energy: 1.642065192179168
Energy: 1.4805836406538526
Energy: 1.26679778342949
Energy: 1.6420651919390972
Energy: 1.2189364996670204
Energy: 1.7064337767463342
Energy: 1.7095301041542534
Energy: 1.2189364996707492
Energy: 1.7515295862579747
Energy: 1.7511685624807651
Energy: 1.2189364996744783
Energy: 1.7064337767426054
Energy: 1.7095301041430668
Energy: 1.2189364996670204
Energy: 1.6384442664562147
Energy: 1.269983823437793
Energy: 1.638011159794677
Energy: 1.6384442664375705
Energy: 1.269983823437793
Energy: 1.6380111597942704
Energy: 1.6384442664562147
Energy: 1.2699838234452507
Energy: 1.6380111597931855
Energy: 1.6384442664539773
Energy: 1.552934487941396
Energy: 1.5969046698153408
Energy: 1.4235784828971303
Energy: 1.5529344879376672
Energy: 1.5969046698004254
Energy: 1.4235784828934015
Energy: 1.5529344879376672
Energy: 1.5969046697966967
Energy: 1.4235784828822151
Energy: 1.5529344879376672
Energy: 1.4522920215022823
Energy: 1.5967451195968794
Energy: 1.532911799546639
Energy: 1.452292021487367
Energy: 1.596745119604337
Energy: 1.533332757703666
Energy: 1.452292021491096
Energy: 1.5967451196080658
Energy: 1.532911799550368
Energy: 1.4522920215060113
Energy: 1.7019394579413882
Energy: 1.6382025791894437
Energy: 1.6388031208034295
Energy: 1.708695087093719
Energy: 1.638202579174935
Energy: 1.638803120810548
Energy: 1.701939457970406
Energy: 1.6382025791596126
Energy: 1.6388031208083107
Energy: 1.7086950870874136
Energy: 1.4233341589670776
Energy: 1.546871611583877
Energy: 1.597466106492483
Energy: 1.4233341589670776
Energy: 1.5468716115876056
Energy: 1.5974661065036697
Energy: 1.4233341589708064
Energy: 1.5468716115913346
Energy: 1.5974661065148563
Energy: 1.4233341589633488
Energy: 1.5263952073335496
Energy: 1.764074780924194
Energy: 1.5975192768521596
Energy: 1.5869097960480023
Energy: 1.7640747809204649
Energy: 1.5975192768111421
Energy: 1.5263952073410074
Energy: 1.7640747809204649
Energy: 1.5975192767850404
Energy: 1.586909796033087
Energy: 1.6385205206035407
Energy: 1.637721058556579
Energy: 1.2704217964488602
Energy: 1.6385205206102527
Energy: 1.6377210585498672
Energy: 1.270421796460047
Energy: 1.6385205206098459
Energy: 1.6377210585662743
Energy: 1.270421796463776
Energy: 1.6385205206023883

minimum gb energy = 1.2189364996670204 eV
minimum distance =  2.33214401181374 Angstroms
sigma value = 75


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

Energy: 1.874541580055937
Energy: 1.525739657318979
Energy: 1.525843095050452
Energy: 1.7011058459797979
Energy: 1.5257396573262565
Energy: 1.5258430950449937
Energy: 1.8745415800541176
Energy: 1.5257396573117008
Energy: 1.525843095050452
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Energy: 1.73936260829267
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Energy: 1.9379801498145943
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Energy: 1.594759389985624
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Energy: 1.8522257334491676
Energy: 1.940382669024779
Energy: 1.9415925395703002
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Energy: 1.8299254583732298
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Energy: 1.7675606929866805
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minimum gb energy = 1.5253517372511811 eV
minimum distance =  2.21308891880185 Angstroms
sigma value = 105


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

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Energy: 1.759124612601268
Energy: 1.8533409275857107
Energy: 1.695188176307965
Energy: 1.7983527469595912
Energy: 1.7097565169249502
Energy: 1.64228493326988
Energy: 1.762628798817054
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Energy: 1.7419686412410342
Energy: 1.7097565169147244
Energy: 1.642284933263722
Energy: 1.8518311407804706
Energy: 1.7168684381380794
Energy: 1.800773474400126
Energy: 1.7506645612546257
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Energy: 1.7506645612546257
Energy: 1.8529506352603433
Energy: 1.7019099659622206
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Energy: 1.8574212942906663
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Energy: 1.7914374609077648
Energy: 1.7496691518954552
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Energy: 1.6424255960251701
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Energy: 1.8367835735901121
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Energy: 1.8742913301067419
Energy: 1.8159582005844852
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Energy: 1.8159582005844852
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Energy: 1.8742913301108475
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Energy: 1.7064708951913166
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Energy: 1.8459228976279745
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Energy: 1.7064708951933694
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Energy: 1.7448405896625134
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Energy: 1.7571771824661198
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Energy: 1.7154496946929145
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Energy: 1.6207648080029589
Energy: 1.674241803437412
Energy: 1.758625845698099
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Energy: 1.674241803431254
Energy: 1.7586258456960466
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Energy: 1.67424180344357
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Energy: 1.6207648080152746
Energy: 1.7655800209908175
Energy: 1.7457308636207098
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Energy: 1.8042055287328034
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Energy: 1.7141901923251672
Energy: 1.8263621925573554
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Energy: 1.7110622334760868
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Energy: 1.7110622334719814
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Energy: 1.7110622334719814
Energy: 1.783730765297852
Energy: 1.7065290963100146
Energy: 1.9132939365611956
Energy: 1.6629909380492984
Energy: 1.70652909631412
Energy: 1.9132939365550379
Energy: 1.6629909380554564
Energy: 1.7065290963243833
Energy: 1.9132939365509327
Energy: 1.6629909380513508
Energy: 1.7065290963202782
Energy: 1.6350035383833024
Energy: 1.7450529980623481
Energy: 1.7456942881371054
Energy: 1.6350035383874075
Energy: 1.745052998064401
Energy: 1.7456942881330002
Energy: 1.6350035383853552
Energy: 1.7450529980623481
Energy: 1.7456942881227369
Energy: 1.6350035383874075
Energy: 1.6423427548806862
Energy: 1.704827631823669
Energy: 1.7581296703078073
Energy: 1.6423427548724754
Energy: 1.7044185333404342
Energy: 1.7581296703078073
Energy: 1.6423427548724754
Energy: 1.7048276318216165
Energy: 1.7581296703057545
Energy: 1.6423427548724754
Energy: 1.9354179853338926
Energy: 1.7129689624349336
Energy: 1.7182530406681353
Energy: 1.9354179853297875
Energy: 1.71289530012022
Energy: 1.71825304066403
Energy: 1.9354179853318403
Energy: 1.7129689624349336
Energy: 1.7182530406619771
Energy: 1.9354179853277345
Energy: 1.714039479107343
Energy: 1.714152866543886
Energy: 1.8157332438170273
Energy: 1.7140394791155538
Energy: 1.71415286653157
Energy: 1.8157332438026959
Energy: 1.7140394791176063
Energy: 1.71415286653157
Energy: 1.8157332438006435
Energy: 1.714039479113501
Energy: 1.7275017917814406
Energy: 1.8960421917590613
Energy: 1.7659386414799774
Energy: 1.7275017917793878
Energy: 1.9052832577707945
Energy: 1.7659386414820297
Energy: 1.727501791785546
Energy: 1.8960421917611139
Energy: 1.765938641475872
Energy: 1.7275017917773352
Energy: 1.8893789115878201
Energy: 1.7585699002646369
Energy: 1.8529483126063675
Energy: 1.889378911569346
Energy: 1.7582351278794401
Energy: 1.8529483125940516
Energy: 1.8893789115755042
Energy: 1.7585699002646369
Energy: 1.8529483125961042
Energy: 1.8893789115878201
Energy: 1.7418801025537805
Energy: 1.7091640015450371
Energy: 1.74151416301803
Energy: 1.741880102555833
Energy: 1.7095446453537744
Energy: 1.7415141630139246
Energy: 1.741880102543517
Energy: 1.7091640015409317
Energy: 1.7415141630098192
Energy: 1.7418801025537805

minimum gb energy = 1.6207648080029589 eV
minimum distance =  2.29179282693067 Angstroms
sigma value = 165


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

Energy: 1.7820546591948676
Energy: 1.8263156256787183
Energy: 1.8261391061261265
Energy: 1.782054659198391
Energy: 1.8263156256808324
Energy: 1.8261391061331733
Energy: 1.7820546591948676
Energy: 1.8263156256801276
Energy: 1.826139106127536
Energy: 1.7820546591948676
Energy: 1.8239897372251923
Energy: 1.7681631297209948
Energy: 1.882067504545507
Energy: 1.8239897372230782
Energy: 1.7681631297076057
Energy: 1.882067504545507
Energy: 1.8239897372251923
Energy: 1.7681631297097198
Energy: 1.882067504543393
Energy: 1.8239897372237828
Energy: 1.8078967535762196
Energy: 1.8609569807623931
Energy: 1.7059292012206027
Energy: 1.807896753581857
Energy: 1.8609569368557946
Energy: 1.7059293961721267
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Energy: 1.860954348247367
Energy: 1.7059293185111895
Energy: 1.8078967535755146
Energy: 1.8784750707890299
Energy: 1.8701340416761818
Energy: 1.769121990456301
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Energy: 1.8701340416810506
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Energy: 1.8701340416768866
Energy: 1.7691219904591196
Energy: 1.8784750707862115
Energy: 1.8843974933297676
Energy: 1.9360037150455711
Energy: 1.7059220232505843
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Energy: 1.9360037150434573
Energy: 1.7059226276072907
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Energy: 1.9360037150448666
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Energy: 1.8843974932607723
Energy: 1.7688232140347742
Energy: 1.911747895744128
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Energy: 1.7688232140227944
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Energy: 1.824677290050445
Energy: 1.8247859160744866
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Energy: 1.8246772900497406
Energy: 1.824785916073782
Energy: 1.8812123937249017
Energy: 1.8261502047683205
Energy: 1.8704864000456147
Energy: 1.8951593829682873
Energy: 1.8261502047683205
Energy: 1.8704864000442056
Energy: 1.8951593841495378
Energy: 1.8261502047676157
Energy: 1.8704864000442056
Energy: 1.8951594252745372
Energy: 1.8261502047683205
Energy: 1.7689506978762721
Energy: 1.8704406760490124
Energy: 1.9117832274622828
Energy: 1.7689506978734537
Energy: 1.8704406760490124
Energy: 1.9117832274594637
Energy: 1.7689506978685208
Energy: 1.8704406760490124
Energy: 1.9117832274629873
Energy: 1.7689506978769767
Energy: 1.8844648968021398
Energy: 1.7059822243955602
Energy: 1.9359577729311839
Energy: 1.8844648967979116
Energy: 1.705982248136527
Energy: 1.9359577729311839
Energy: 1.8844648968324411
Energy: 1.7059822279906904
Energy: 1.9359577729311839
Energy: 1.8844648968197564
Energy: 1.8796711702024025
Energy: 1.769058425563187
Energy: 1.8701246487874308
Energy: 1.8796711702031073
Energy: 1.7690584255660056
Energy: 1.8701246487839074
Energy: 1.879671170201698
Energy: 1.769058425561073
Energy: 1.8701246487867262
Energy: 1.879671170201698
Energy: 1.8079038950349005
Energy: 1.7057522970012498
Energy: 1.8610418895348164
Energy: 1.8079038950377193
Energy: 1.705752451187742
Energy: 1.8610418816908612
Energy: 1.8079038950384239
Energy: 1.7057522208892189
Energy: 1.861042869504186
Energy: 1.807903895034196
Energy: 1.8242006896932046
Energy: 1.8821660246854173
Energy: 1.7681921249843144
Energy: 1.8242006896925
Energy: 1.8821660246847127
Energy: 1.768192124987133
Energy: 1.8242006896932046
Energy: 1.8821660246861218
Energy: 1.768192124985019
Energy: 1.8242006896917953
Energy: 1.7820546591976862
Energy: 1.8263156256787183
Energy: 1.826139106124717
Energy: 1.7820546591976862
Energy: 1.8263156256766042
Energy: 1.8261391061310592
Energy: 1.7820546591976862
Energy: 1.8263156256794228
Energy: 1.8261391061218981
Energy: 1.782054659196277

minimum gb energy = 1.7057522208892189 eV
minimum distance =  2.27595946769597 Angstroms
sigma value = 41


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

Energy: 1.6808692907064564
Energy: 1.6778107249238716
Energy: 1.6853897439647898
Energy: 1.6753972384088884
Energy: 1.677810724918403
Energy: 1.6853897439757264
Energy: 1.6808692906982539
Energy: 1.6778107249211374
Energy: 1.6853897439456509
Energy: 1.6753972384088884
Energy: 1.6786956123705707
Energy: 1.4713972970780298
Energy: 1.7334516394122714
Energy: 1.6786956123678367
Energy: 1.4713972970725613
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Energy: 1.471397297061625
Energy: 1.7334516394258923
Energy: 1.6786956123514316
Energy: 1.5454287928958583
Energy: 1.4671914068841896
Energy: 1.5540032846634806
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Energy: 1.4671914068841896
Energy: 1.493034578352982
Energy: 1.5805293785940675
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Energy: 1.5734128153868838
Energy: 1.5805293781786778
Energy: 1.5722552828434626
Energy: 1.5346881695773589
Energy: 1.508598443788327
Energy: 1.572255282837994
Energy: 1.5346881695828272
Energy: 1.5058949130248256
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Energy: 1.5346881695773589
Energy: 1.508598443785593
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Energy: 1.6102018879089446
Energy: 1.790793829421397
Energy: 1.5088874929611933
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Energy: 1.5088528633626692
Energy: 1.6102018879144127
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Energy: 1.6102018878952737
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Energy: 1.6332376508181856
Energy: 1.62336860734984
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Energy: 1.6332376508127173
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Energy: 1.6233686073389033
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Energy: 1.507624336064584
Energy: 1.4674238036932175
Energy: 1.7331508929958397
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Energy: 1.7331508929767006
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Energy: 1.6741389293533386
Energy: 1.623857760589366
Energy: 1.6950026833355456
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Energy: 1.6248756883110684
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Energy: 1.6248756883056001
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Energy: 1.6862177826387375
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Energy: 1.477957220274719
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Energy: 1.4681775538954465
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Energy: 1.7598466135362527
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Energy: 1.7252365462254329
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Energy: 1.4704638868572542
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Energy: 1.562157911285796
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Energy: 1.6317887287313342
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Energy: 1.6317887287286001
Energy: 1.6761659966761366
Energy: 1.682077967337661
Energy: 1.4672831078115571
Energy: 1.7402355659842632
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Energy: 1.682077967340395
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Energy: 1.7432823614283748
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Energy: 1.7576804884264003
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Energy: 1.7058544339695227
Energy: 1.6735715602421621
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Energy: 1.6735715602284913
Energy: 1.5617202294158103
Energy: 1.7058544339613702
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Energy: 1.5617208692581968
Energy: 1.6676021412864823
Energy: 1.5112342297455423
Energy: 1.6258031546337388
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Energy: 1.4666042575401306
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Energy: 1.4989419522163887
Energy: 1.5481422092421087
Energy: 1.5441359931946934
Energy: 1.5465785349939405
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Energy: 1.544135993208364
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Energy: 1.5465785350021428
Energy: 1.4709143717428275
Energy: 1.5441359931892251
Energy: 1.64319053294577
Energy: 2.001506301126755
Energy: 1.4741442069029285
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Energy: 2.0015063011240204
Energy: 1.4741442069029285
Energy: 1.6431905329320995
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Energy: 1.4741442069056627
Energy: 1.64319053294577
Energy: 1.5798322888763061
Energy: 1.5438769994337778
Energy: 1.6225165545982116
Energy: 1.5061271731334243
Energy: 1.5438769994392458
Energy: 1.6225165545982116
Energy: 1.5798322888735719
Energy: 1.5438769993791448
Energy: 1.6225165545900588
Energy: 1.5061271731552477
Energy: 1.7275401721010457
Energy: 1.4674716058559787
Energy: 1.7354787591798022
Energy: 1.727540172106514
Energy: 1.4674716058723836
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Energy: 1.7275401721146666
Energy: 1.4674716058723836
Energy: 1.735478759196207
Energy: 1.727540172106514
Energy: 1.615404251797499
Energy: 1.4701494521814198
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Energy: 1.6154042517947649
Energy: 1.4701494521896221
Energy: 1.5081750588995122
Energy: 1.615404251775626
Energy: 1.470149452184154
Energy: 1.5079002427599313
Energy: 1.6154042517920306
Energy: 1.6325863885160474
Energy: 1.6283309909889063
Energy: 1.5144467632557799
Energy: 1.632586388510579
Energy: 1.6283309909807038
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Energy: 1.5144467632557799
Energy: 1.6325863885051106
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Energy: 1.5061927797539945
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Energy: 1.6102020775272115
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Energy: 1.807368434917326
Energy: 1.6102020775135406
Energy: 1.5061927797567287
Energy: 1.5083680150705097
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Energy: 1.5083680150895988
Energy: 1.503893501330957
Energy: 1.533874842149559
Energy: 1.611139897086412
Energy: 1.5038935013227546
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Energy: 1.6111398970618047
Energy: 1.503893501330957
Energy: 1.5338748421577113
Energy: 1.6111398970754753
Energy: 1.5038935013282226
Energy: 1.7318211022417276
Energy: 1.4738125806498212
Energy: 1.6681691030393058
Energy: 1.731821102247196
Energy: 1.4738125806388847
Energy: 1.668169101238306
Energy: 1.7318211022389938
Energy: 1.473812580644353
Energy: 1.668169101771214
Energy: 1.7318211022362595
Energy: 1.6833008843343051
Energy: 1.7057722879843362
Energy: 1.5100125734646903
Energy: 1.6833008843370394
Energy: 1.7057722879679313
Energy: 1.51001257388008
Energy: 1.6833008843479758
Energy: 1.7057722879925385
Energy: 1.5100125737380046
Energy: 1.683300884331571
Energy: 1.4703115477265687
Energy: 1.6892746162971344
Energy: 1.4996614244185502
Energy: 1.4703115477293027
Energy: 1.689845792271572
Energy: 1.4996614243857904
Energy: 1.4703115477183664
Energy: 1.6892746163108048
Energy: 1.499661424402195
Energy: 1.4703115477293027
Energy: 1.4692236457570864
Energy: 1.5460346923886394
Energy: 1.5451664752430814
Energy: 1.4692236457652887
Energy: 1.546027326937072
Energy: 1.5451252198498902
Energy: 1.4692236457598207
Energy: 1.5460346923722348
Energy: 1.5451664752403471
Energy: 1.4692236457570864
Energy: 1.50762321039656
Energy: 1.5078071868312246
Energy: 1.5841215674808566
Energy: 1.5076232103910918
Energy: 1.5078065469915725
Energy: 1.5841215674863252
Energy: 1.5076232103910918
Energy: 1.5078071868011493
Energy: 1.5841215674890592
Energy: 1.5076232103856235
Energy: 1.7614164579908942
Energy: 1.5072724202345749
Energy: 1.533111191823607
Energy: 1.7614164579990965
Energy: 1.5072805596930727
Energy: 1.5331111918126703
Energy: 1.7614164579936282
Energy: 1.5072724202209042
Energy: 1.533111191823607
Energy: 1.7614164579963623
Energy: 1.672806813738913
Energy: 1.682609404296441
Energy: 1.5041970954097799
Energy: 1.781899354699255
Energy: 1.6826094042991753
Energy: 1.5041970954207164
Energy: 1.7572489420441977
Energy: 1.6826094043155801
Energy: 1.5041970954179822
Energy: 1.756714291419059

minimum gb energy = 1.4666042575401306 eV
minimum distance =  2.20899528425498 Angstroms
sigma value = 185


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

Energy: 1.0174620261797953
Energy: 0.8051395472518822
Energy: 0.8045416364197528
Energy: 1.713285907519203
Energy: 0.8051395472580193
Energy: 0.8045416364246507
Energy: 1.0175581952789998
Energy: 0.8051395472580193
Energy: 0.804541636414265
Energy: 1.713285907516607
Energy: 1.0317499325487425
Energy: 0.8033240393151563
Energy: 1.0053259989300374
Energy: 1.1485499986996992
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Energy: 0.9844429380250186
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Energy: 0.9974977148851496
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Energy: 1.1956799027975915
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Energy: 0.9974977148472061
Energy: 0.860846073725321
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Energy: 1.0252868131252872
Energy: 1.0044242191629624
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Energy: 0.8603646275143697
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Energy: 0.8088017155877508
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Energy: 1.2779845540766606
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Energy: 0.8088017155900523
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Energy: 1.42414577091541
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Energy: 1.0903777061221551
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Energy: 1.0738786965003249
Energy: 1.424145770923199
Energy: 0.8079637127116653
Energy: 1.0903777061124775
Energy: 1.13765862812331
Energy: 1.2536894562406269
Energy: 0.8051418398781496
Energy: 1.2515872751972443
Energy: 1.1715131439273339
Energy: 0.8051418398674688
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Energy: 0.8051418398781496
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Energy: 1.3275946609970333
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Energy: 0.8045743818185509
Energy: 1.3561511905514405
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Energy: 1.0442641850641414
Energy: 0.8045743818237437
Energy: 1.3561511905514405
Energy: 1.556971097707963
Energy: 0.805139547250289
Energy: 0.8045416364171565
Energy: 1.2944502944485583
Energy: 0.8051395472528855
Energy: 0.8045416364242967
Energy: 1.5569710977047173
Energy: 0.8051395472577242
Energy: 0.8045416364097211
Energy: 1.294450294446611
Energy: 1.1057594151931276
Energy: 0.8033240393077211
Energy: 0.9962547577562602
Energy: 1.1305542986131913
Energy: 0.803324039301525
Energy: 1.0368588134310452
Energy: 1.105759417565513
Energy: 0.8033240393041213
Energy: 0.9962547577679441
Energy: 1.1305542984577586
Energy: 1.3394833001918909
Energy: 0.8064318566399045
Energy: 1.1735160069645978
Energy: 1.1667304040038593
Energy: 0.8064318566324102
Energy: 1.2580882480988682
Energy: 1.3394833001999755
Energy: 0.8064318566321151
Energy: 1.1735160069678434
Energy: 1.1667304039639685
Energy: 1.0843634587157736
Energy: 0.8081712142187046
Energy: 1.235913420731876
Energy: 1.084363458566537
Energy: 0.8081712142174063
Energy: 1.4238045683203813
Energy: 1.0843634587783832
Energy: 0.8081712142174063
Energy: 1.2359134207672822
Energy: 1.0843634586463187
Energy: 0.8608460737269142
Energy: 0.8026269238206024
Energy: 1.2782020745076696
Energy: 0.8608460737262651
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Energy: 1.2787069156635997
Energy: 0.8608460737236686
Energy: 0.8026269238228448
Energy: 1.2782020745076696
Energy: 0.8608460737331103
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Energy: 1.013824078652945
Energy: 1.3223275379520911
Energy: 1.2727617861066658
Energy: 1.136985326164976
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Energy: 1.2727617860858942
Energy: 1.0138240786503487
Energy: 1.322327537956989
Energy: 1.2727617860959257
Energy: 0.8603646275156679
Energy: 1.106473428312996
Energy: 1.0944535159774391
Energy: 0.8603646275176152
Energy: 1.2873406795926254
Energy: 1.094453515981688
Energy: 0.8603646275208607
Energy: 1.1064597639453029
Energy: 1.094453515981334
Energy: 0.8603646275267027
Energy: 1.2776829988996363
Energy: 1.1962656472365545
Energy: 0.8088017155916456
Energy: 1.2776829988927911
Energy: 0.99688053431004
Energy: 0.8088017155896982
Energy: 1.2776829988992824
Energy: 1.1962656473919282
Energy: 0.808801715594596
Energy: 1.277682998897689
Energy: 0.8723679390124633
Energy: 1.0647678359108672
Energy: 0.8079637127103672
Energy: 0.8533469429305293
Energy: 1.0806233729523576
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Energy: 0.872367939010221
Energy: 1.064753998446801
Energy: 0.8079637127181566
Energy: 0.8533469429321815
Energy: 1.0021870203490022
Energy: 1.0560834648733792
Energy: 0.8051418398811
Energy: 1.0748474622004853
Energy: 1.016727083686581
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Energy: 1.044264185114713
Energy: 0.8045743818240979
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Energy: 0.8045743818273434
Energy: 1.0629663634637738
Energy: 1.0442641851173093
Energy: 0.8045743818286416
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Energy: 1.0175632846512075
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Energy: 0.8045416364165073
Energy: 1.7132859075269926
Energy: 0.8051395472541836
Energy: 0.8045416364204019
Energy: 1.0176152860198389
Energy: 0.8051395472609698
Energy: 0.8045416364093672
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Energy: 1.031749932261658
Energy: 0.8033240393099634
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Energy: 0.984442938016285
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Energy: 0.8033240393008759
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Energy: 0.8064318566285156
Energy: 1.0539285944803922
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Energy: 0.8064318566285156
Energy: 1.0151439030942475
Energy: 1.0750531140700106
Energy: 1.0843634585934456
Energy: 0.8081712142141608
Energy: 1.1426563182841083
Energy: 1.0843634585262918
Energy: 0.8081712142203569
Energy: 1.031903754245823
Energy: 1.0843634586583568
Energy: 0.8081712142174063
Energy: 1.1426563181897513
Energy: 1.0843634585182076
Energy: 0.8608460737204231
Energy: 0.8026269238170028
Energy: 0.9974977145902758
Energy: 0.8608460737207771
Energy: 0.8026269238160586
Energy: 1.1956799027904512
Energy: 0.8608460737204231
Energy: 0.8026269238125181
Energy: 0.9974977145241255
Energy: 0.8608460737301598
Energy: 1.2727617861008236
Energy: 1.025286813119091
Energy: 1.0044231669756272
Energy: 1.2727617861027711
Energy: 1.0115366134618196
Energy: 1.0282947559214568
Energy: 1.2727617860962799
Energy: 1.0252868131129542
Energy: 1.0044115216296097
Energy: 1.2727617860956308
Energy: 0.8603646275238114
Energy: 1.3288991578390636
Energy: 1.0944535159858777
Energy: 0.8603646275257586
Energy: 1.0616973059248247
Energy: 1.0944535159852284
Energy: 0.8603646275299484
Energy: 1.3288991578433125
Energy: 1.0944535159907756
Energy: 0.8603646275299484
Energy: 1.2776829989009346
Energy: 1.2786946519670566
Energy: 0.808801715589049
Energy: 1.2776829988940894
Energy: 1.2779845540705232
Energy: 0.8088017155907015
Energy: 1.2776829989009346
Energy: 1.2786946519731934
Energy: 0.8088017155896982
Energy: 1.2776829988927911
Energy: 1.0738786965094125
Energy: 1.4241457709202485
Energy: 0.8079637127120194
Energy: 1.0903777061131266
Energy: 1.0950513597778693
Energy: 0.8079637127178615
Energy: 1.0738786965068159
Energy: 1.4241457709267398
Energy: 0.8079637127126685
Energy: 1.0903777061163722
Energy: 1.1376584820562432
Energy: 1.2536894562406269
Energy: 0.8051418398781496
Energy: 1.251587275206627
Energy: 1.1715131439308741
Energy: 0.805141839869416
Energy: 1.1376584916036732
Energy: 1.2536894562389747
Energy: 0.8051418398778545
Energy: 1.2515872751985424
Energy: 1.3275946609914864
Energy: 1.0442641851919574
Energy: 0.8045743818204982
Energy: 1.3561511905546861
Energy: 1.0442641850706325
Energy: 0.8045743818217965
Energy: 1.3275946609960303
Energy: 1.0442641851419756
Energy: 0.8045743818256911
Energy: 1.3561511905468968

minimum gb energy = 0.8026269238125181 eV
minimum distance =  2.2669213891644 Angstroms
sigma value = 33


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

Energy: 1.4621344539821164
Energy: 1.4892405178706352
Energy: 1.4893438703333197
Energy: 1.4334775145587766
Energy: 1.4892405178599775
Energy: 1.4893438703368833
Energy: 1.4621344539874617
Energy: 1.4892405178724168
Energy: 1.4893438703368833
Energy: 1.4334775145587766
Energy: 1.4928845760756864
Energy: 1.465955268849835
Energy: 1.4727811056742484
Energy: 1.4928845760721232
Energy: 1.465955268848053
Energy: 1.47278110566534
Energy: 1.4928845760756864
Energy: 1.4659552688516166
Energy: 1.4727811056582132
Energy: 1.4928845760739047
Energy: 1.432334993847152
Energy: 1.4082250825865417
Energy: 1.4080584084491554
Energy: 1.4323349938382433
Energy: 1.4082250825901053
Energy: 1.4170993662339653
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Energy: 1.4082250825936686
Energy: 1.4348750381813535
Energy: 1.4323349938364616
Energy: 1.470700642279648
Energy: 1.4363828168309203
Energy: 1.466037734896901
Energy: 1.47070064229212
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Energy: 1.4660377349075913
Energy: 1.4707006422814297
Energy: 1.4363828168255752
Energy: 1.4660377349111546
Energy: 1.4707006422760844
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Energy: 1.4770801221481462
Energy: 1.4302455020250529
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Energy: 1.477080122141019
Energy: 1.4302455020161442
Energy: 1.4714377087423705
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Energy: 1.4302455020090497
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Energy: 1.511830334796336
Energy: 1.5216556099710812
Energy: 1.487200075086187
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Energy: 1.4490624343403606
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Energy: 1.4966840495962137
Energy: 1.398164676635545
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Energy: 1.519263503702862
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Energy: 1.493899383826174
Energy: 1.4656753546920935
Energy: 1.4597571688782256
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Energy: 1.4597571688800075
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Energy: 1.4891378743867196
Energy: 1.491991281865797
Energy: 1.4810680419132394
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Energy: 1.4810520680814785
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Energy: 1.4810680419114577
Energy: 1.4891378743902506
Energy: 1.4662736418027609
Energy: 1.511269795885611
Energy: 1.4691738752235841
Energy: 1.4662736418063245
Energy: 1.5089410055140422
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Energy: 1.4662736418063245
Energy: 1.511269795885611
Energy: 1.4691738752307109
Energy: 1.4662736417974158
Energy: 1.407905545394336
Energy: 1.4267018183731142
Energy: 1.43478207443035
Energy: 1.4079055454103715
Energy: 1.4265620982619243
Energy: 1.4351310246614966
Energy: 1.4079055454068081
Energy: 1.4267018183802411
Energy: 1.434782074426787
Energy: 1.4079055454050264
Energy: 1.4660486481965136
Energy: 1.4827971425844202
Energy: 1.4865346681399763
Energy: 1.4660486482000772
Energy: 1.4737930487127642
Energy: 1.4865346681310678
Energy: 1.466048648194732
Energy: 1.482797142586202
Energy: 1.4865346681346312
Energy: 1.4660486481965136
Energy: 1.4905975753951513
Energy: 1.4070812146490217
Energy: 1.4948848696693073
Energy: 1.490597575396933
Energy: 1.3900176623766674
Energy: 1.4948848696817794
Energy: 1.4905975753915877
Energy: 1.4070812146525853
Energy: 1.4948848696764345
Energy: 1.4905975753915877
Energy: 1.4801928194965108
Energy: 1.4845213173753535
Energy: 1.4718192899570048
Energy: 1.4801928194858205
Energy: 1.4845213173700085
Energy: 1.471819289949878
Energy: 1.4801928194876022
Energy: 1.4845213173735718
Energy: 1.4718192899552232
Energy: 1.4801928194965108
Energy: 1.4949480293001467
Energy: 1.5164198880821878
Energy: 1.4042283360701555
Energy: 1.49494802930371
Energy: 1.5164198880732789
Energy: 1.4042283360933179
Energy: 1.4949480293019284
Energy: 1.5164198880732789
Energy: 1.4042283360861914
Energy: 1.4949480293001467
Energy: 1.4317347497498218
Energy: 1.467789078387395
Energy: 1.4390889826413498
Energy: 1.4317347497516038
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Energy: 1.4522612448191892
Energy: 1.4130575901355864
Energy: 1.43422166604001
Energy: 1.4522612448138439
Energy: 1.4130575901338047

minimum gb energy = 1.3743078537893159 eV
minimum distance =  2.26459950327332 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.9472998080070762
Energy: 2.0701580916189326
Energy: 2.0701435985452146
Energy: 1.9472998080070762
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Energy: 2.067345615253081
Energy: 2.0745501941279603
Energy: 1.9440486104213857
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Energy: 2.0745501941291398
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Energy: 2.079143753441868
Energy: 2.014253687238681
Energy: 2.0125948881576696
Energy: 2.079143753440689
Energy: 2.014253687237502

minimum gb energy = 1.94332519455834 eV
minimum distance =  2.24904208088267 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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Energy: 2.3090333473459634
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Energy: 2.3090333473481772
Energy: 2.2058352003802755
Energy: 2.283603334331478
Energy: 2.309033347328645
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minimum gb energy = 2.198446381449992 eV
minimum distance =  2.23655950344334 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.3440568609821106
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Energy: 2.3440568609821106
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Energy: 2.371304565979914
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Energy: 2.371304565977541
Energy: 2.228938654657108
Energy: 2.2005376408127644
Energy: 2.3713045659791394
Energy: 2.22893865466137
Energy: 2.2005376408114086
Energy: 2.1985601327843343
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Energy: 2.3208092943980967
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Energy: 2.3208092943986296
Energy: 2.198560132783511
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Energy: 2.3208092943980967
Energy: 2.1985601327808473
Energy: 2.357297892630384
Energy: 2.282809647380297
Energy: 2.282842204379726
Energy: 2.357297892629851
Energy: 2.2828096473792314
Energy: 2.2828422043789027
Energy: 2.357297892628786
Energy: 2.2828096473808297
Energy: 2.282842204380259
Energy: 2.3572978926271877
Energy: 2.1985340283436945
Energy: 2.321013053293436
Energy: 2.2644448847650502
Energy: 2.19853402834476
Energy: 2.3210130532913045
Energy: 2.2644448847655827
Energy: 2.1985340283436945
Energy: 2.3210130532937265
Energy: 2.2644448847666485
Energy: 2.1985340283452928
Energy: 2.200536299618739
Energy: 2.2289570926376547
Energy: 2.37113779557558
Energy: 2.2005362996158335
Energy: 2.2289570926373643
Energy: 2.3711377955745148
Energy: 2.200536299616609
Energy: 2.2289570926373643
Energy: 2.3711377955787762
Energy: 2.2005362996179163
Energy: 2.3588667356818545
Energy: 2.249031289445045
Energy: 2.208036587805664
Energy: 2.3588667356818545
Energy: 2.249031289442381
Energy: 2.208036587806439
Energy: 2.3588667356810795
Energy: 2.2490312894442694
Energy: 2.2080365878067294
Energy: 2.3588667356826774
Energy: 2.2657749975187422
Energy: 2.3374635929898817
Energy: 2.1960252417507933
Energy: 2.2657749975189843
Energy: 2.3374635929927874
Energy: 2.1960252417505512
Energy: 2.265774997517677
Energy: 2.33746359299148
Energy: 2.1960252417502604
Energy: 2.2657749975179184

minimum gb energy = 2.1955133652928653 eV
minimum distance =  2.19593721423871 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

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Energy: 2.25757482518108
Energy: 2.2576687997802694
Energy: 2.2580865243473767
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Energy: 2.257668799774011
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Energy: 2.2576739747863543
Energy: 2.258939031113242
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Energy: 2.2580865243488204
Energy: 2.2575748251863756
Energy: 2.2576687997807507
Energy: 2.2580865243387547
Energy: 2.257574825190708
Energy: 2.257668799782676
Energy: 2.258086524343525
Energy: 2.2575748251863756
Energy: 2.257668799777381
Energy: 2.258086524345451
Energy: 2.2589034005932533
Energy: 2.2580020765141016
Energy: 2.2609594319878377
Energy: 2.2589034005966226
Energy: 2.2580020764972524
Energy: 2.260959431981142
Energy: 2.25890340059229
Energy: 2.2580020764934017
Energy: 2.2609594319892814
Energy: 2.25890340059229
Energy: 2.2568053686894687
Energy: 2.2567123872417447
Energy: 2.19771491352411
Energy: 2.2568053686841734
Energy: 2.2567123872383745
Energy: 2.19771492056765
Energy: 2.2568053686885063
Energy: 2.256712387238856
Energy: 2.1977149176810356
Energy: 2.256805368684655
Energy: 2.1976568640066874
Energy: 2.2566533716276878
Energy: 2.2568467052995973
Energy: 2.197656863976403
Energy: 2.256653371626725
Energy: 2.2568467052976717
Energy: 2.1976568639730334
Energy: 2.2566533716272064
Energy: 2.2568467053000787
Energy: 2.1976568639532963
Energy: 2.2607927641979817
Energy: 2.25767397478828
Energy: 2.258939031109391
Energy: 2.2607927642018324
Energy: 2.2576739747815404
Energy: 2.258939031112279
Energy: 2.2607927642052026
Energy: 2.2576739747800962
Energy: 2.258939031111798
Energy: 2.260792764190761
Energy: 2.2575748251873375
Energy: 2.257668799772567
Energy: 2.258086524343525
Energy: 2.25757482518108
Energy: 2.25766879977353
Energy: 2.258086524336829
Energy: 2.257574825191189
Energy: 2.2576687997860456
Energy: 2.25808652433346
Energy: 2.2575748251926337
Energy: 2.258002076487625
Energy: 2.260959431982586
Energy: 2.2589034005927715
Energy: 2.258002076500141
Energy: 2.2609594319859556
Energy: 2.2589034005918087
Energy: 2.2580020764934017
Energy: 2.2609594319873563
Energy: 2.2589034005913273
Energy: 2.258002076480404

minimum gb energy = 2.197656863917673 eV
minimum distance =  2.2688648812294 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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Energy: 2.1963791149288103
Energy: 2.2401038028645037
Energy: 2.162324230587116
Energy: 2.196379114930992
Energy: 2.2401038028731928
Energy: 2.2589070424115065
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Energy: 2.1243645443350423
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Energy: 2.1090068582016386
Energy: 2.12436454433286
Energy: 2.1709976496806
Energy: 2.15252028002535
Energy: 2.3600838393497274
Energy: 2.145591298170743
Energy: 2.1525202800144396
Energy: 2.3600838393409993
Energy: 2.1453363228625912
Energy: 2.1525202800188037
Energy: 2.360083839356274
Energy: 2.1455912981794714
Energy: 2.1525202800231686
Energy: 2.101577341277086
Energy: 2.169662055692811
Energy: 2.121801151798042
Energy: 2.1015773412901786
Energy: 2.1696620556971755
Energy: 2.121801151787131
Energy: 2.1015773412836323
Energy: 2.1696620557080863
Energy: 2.121801151798042
Energy: 2.101577341277086
Energy: 2.1543928222705166
Energy: 2.1051562242834296
Energy: 2.107825996693029
Energy: 2.1575706729910533
Energy: 2.1051562242921587
Energy: 2.1078259966886645
Energy: 2.1543928222726985
Energy: 2.1051562243008872
Energy: 2.1078259966886645
Energy: 2.1575706729845057
Energy: 2.1545624684188187
Energy: 2.135614817041958
Energy: 2.281545239629939
Energy: 2.155121616963265
Energy: 2.135614817031047
Energy: 2.3843864452619163
Energy: 2.1545624683948152
Energy: 2.135614817046322
Energy: 2.2815452396386675
Energy: 2.155121616969812
Energy: 2.09888450984723
Energy: 2.3025754881567324
Energy: 2.1725179908799324
Energy: 2.0988845098407234
Energy: 2.30257548815455
Energy: 2.172517990890843
Energy: 2.0988845098428657
Energy: 2.3025754881610965
Energy: 2.1725179908886614
Energy: 2.09888450984723
Energy: 2.213075161269209
Energy: 2.1471229408233508
Energy: 2.3392480395395423
Energy: 2.2130751612648445
Energy: 2.147122940834262
Energy: 2.339248039554778
Energy: 2.213075161256116
Energy: 2.147122940838626
Energy: 2.339248039563506
Energy: 2.2130751612648445
Energy: 2.169424492097274
Energy: 2.1256739716114326
Energy: 2.1034413878600398
Energy: 2.1694244920864025
Energy: 2.1256739716092503
Energy: 2.1032037269990096
Energy: 2.1694244920820385
Energy: 2.125673971602704
Energy: 2.103441387886225
Energy: 2.1694244920929093
Energy: 2.1997823222474935
Energy: 2.273420923247148
Energy: 2.108576765271454
Energy: 2.1997823222540402
Energy: 2.2734209232602405
Energy: 2.108576765264907
Energy: 2.1997823222649506
Energy: 2.273420923266787
Energy: 2.1085767652670895
Energy: 2.199782322256222
Energy: 2.1351547593917504
Energy: 2.4120293123059557
Energy: 2.155116344457033
Energy: 2.1351547593961144
Energy: 2.4120293122950445
Energy: 2.155116344470126
Energy: 2.135154759404804
Energy: 2.412029312292862
Energy: 2.155116344470126
Energy: 2.1351547593873867
Energy: 2.2806915548719506
Energy: 2.220548600587758
Energy: 2.1011524361599703
Energy: 2.280691554874133
Energy: 2.2205486005899404
Energy: 2.1011524361599703
Energy: 2.280691554874133
Energy: 2.220548600583394
Energy: 2.1011524361643343
Energy: 2.2806915548654043
Energy: 2.1432451243328052
Energy: 2.223160565231141
Energy: 2.1730009413144615
Energy: 2.1432451243502224
Energy: 2.2231605652224524
Energy: 2.1730009413057334
Energy: 2.1432451243436756
Energy: 2.223160565215906
Energy: 2.1730009413166442
Energy: 2.1432451243524047
Energy: 2.126534341965762
Energy: 2.1756238498992175
Energy: 2.1668151327767697
Energy: 2.1265343419570333
Energy: 2.1750425798704045
Energy: 2.1655700003989202
Energy: 2.126534341954851
Energy: 2.1756238498839426
Energy: 2.1668151327745875
Energy: 2.12653434194394
Energy: 2.192572719737985
Energy: 2.0981115540521524
Energy: 2.2150069431810873
Energy: 2.192572719735803
Energy: 2.0981115540456057
Energy: 2.2150069431810873
Energy: 2.192572719729257
Energy: 2.0981115540521524
Energy: 2.2150069431614483
Energy: 2.1925727197423495
Energy: 2.1464837605462956
Energy: 2.3517210631007552
Energy: 2.146534733475034
Energy: 2.1464837605353853
Energy: 2.351721063096391
Energy: 2.14653473347067
Energy: 2.146483760524474
Energy: 2.3517210631094843
Energy: 2.146534733468487
Energy: 2.1464837605462956
Energy: 2.2416844526621755
Energy: 2.1085296413106964
Energy: 2.155697788440448
Energy: 2.2416844526599933
Energy: 2.108521347617274
Energy: 2.155697788436084
Energy: 2.241684452668722
Energy: 2.108529641301968
Energy: 2.1556977884382658
Energy: 2.2416844526643573
Energy: 2.1652726917782243
Energy: 2.1427925303885966
Energy: 2.126204220483927
Energy: 2.165272691791317
Energy: 2.1427925303907793
Energy: 2.1262042204904734
Energy: 2.1652726917738603
Energy: 2.142792530386415
Energy: 2.126204220477381
Energy: 2.165272691776042
Energy: 2.285615766583539
Energy: 2.1801606653697396
Energy: 2.1380408740716796
Energy: 2.2856157665791748
Energy: 2.1801606653893395
Energy: 2.138032504693374
Energy: 2.285615766570446
Energy: 2.180160665380611
Energy: 2.138040874097865
Energy: 2.285615766572628
Energy: 2.101676880585129
Energy: 2.170948730220787
Energy: 2.242076939062196
Energy: 2.101676880596
Energy: 2.1709487302251516
Energy: 2.242076939062196
Energy: 2.101676880585129
Energy: 2.1709487302295156
Energy: 2.242076939064378
Energy: 2.101676880582947
Energy: 2.155161420007688
Energy: 2.385958821614909
Energy: 2.1356298251628276
Energy: 2.155161419992413
Energy: 2.3859588216170913
Energy: 2.135629825149735
Energy: 2.155161419994595
Energy: 2.385958821614909
Energy: 2.1356298251562813
Energy: 2.1551614200033242

minimum gb energy = 2.097439689801847 eV
minimum distance =  2.20349503041887 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.941180748354816
Energy: 2.201500206512027
Energy: 2.20140274527412
Energy: 1.9411807483635606
Energy: 2.201500206512027
Energy: 2.20140274527094
Energy: 1.9411807483532257
Energy: 2.2015002065096416
Energy: 2.201402745274915
Energy: 1.941180748361971
Energy: 2.02538404635512
Energy: 1.898173877144616
Energy: 1.9116014330493158
Energy: 2.0253840463583
Energy: 1.898173877142231
Energy: 1.9116014330421607
Energy: 2.0253840463527353
Energy: 1.898173877143821
Energy: 1.9116014330517004
Energy: 2.0253840463598904
Energy: 2.1081556063741242
Energy: 1.8809356253938503
Energy: 1.8937042642693283
Energy: 2.1081556063741242
Energy: 1.88093562538908
Energy: 1.8937042625313945
Energy: 2.108155606375714
Energy: 1.8809356253898752
Energy: 1.8936994490442391
Energy: 2.1081556063741242
Energy: 1.9171876894963715
Energy: 2.02569370932195
Energy: 1.9161871775064325
Energy: 1.917187689494782
Energy: 2.025693709329105
Energy: 1.9161871775080224
Energy: 1.917187689493987
Energy: 2.02569370932195
Energy: 1.9161871775088173
Energy: 1.9171876894979618
Energy: 1.946536849613034
Energy: 1.9173179791968329
Energy: 2.4240248807387283
Energy: 1.9465368496114441
Energy: 1.917317979199218
Energy: 2.4240248807395233
Energy: 1.9465368496106494
Energy: 1.9173179791976283
Energy: 2.4240248807355482
Energy: 1.9465368496114441
Energy: 1.9139458728167247
Energy: 2.0314063107001186
Energy: 1.8981762910046382
Energy: 1.9139458728167247
Energy: 2.0314063107048885
Energy: 1.8981762910038433
Energy: 1.9139458728183147
Energy: 2.0314063106985283
Energy: 1.8981762910022537
Energy: 1.9139458728191097
Energy: 2.0236158959284674
Energy: 1.9455590141318286
Energy: 1.8809434695876268
Energy: 2.006594349599799
Energy: 1.9455590141302388
Energy: 1.8809434695963716
Energy: 2.0055283310830023
Energy: 1.9455590141334187
Energy: 1.8809434695892167
Energy: 2.005528331080617
Energy: 1.9012747147694502
Energy: 2.182683434751082
Energy: 1.9102734470403768
Energy: 1.9012747147694502
Energy: 2.182683434752672
Energy: 1.9102734470467364
Energy: 1.901274714771835
Energy: 2.182683434747902
Energy: 1.9102734470435565
Energy: 1.90127471477422
Energy: 2.1924428725047864
Energy: 1.9183912356857875
Energy: 1.9175429391536905
Energy: 2.1924428725008114
Energy: 1.9183912356834023
Energy: 1.9175429391576653
Energy: 2.1924428725016067
Energy: 1.9183912356865824
Energy: 1.9175429391521006
Energy: 2.1924428725016067
Energy: 1.92172532529361
Energy: 2.0602140042433956
Energy: 2.4558591926200264
Energy: 1.9217253252975848
Energy: 2.0602140042441905
Energy: 2.4558591926168463
Energy: 1.92172532529679
Energy: 2.0602140042418053
Energy: 2.4558591926215443
Energy: 1.9217253252951998
Energy: 1.8809181616938127
Energy: 1.8820480236695591
Energy: 1.97693906542014
Energy: 1.8809181616914277
Energy: 1.882048023671149
Energy: 1.9769390654249097
Energy: 1.8809181616946076
Energy: 1.882048023671149
Energy: 1.9769390654185497
Energy: 1.8809181616922224
Energy: 2.060121241978209
Energy: 1.8971653103606205
Energy: 2.1576053613937347
Energy: 2.0601212419758244
Energy: 1.8971653103661854
Energy: 2.1576053613865804
Energy: 2.060121241975029
Energy: 1.8971653103614152
Energy: 2.157605361390555
Energy: 2.060121241979004
Energy: 1.9179235068416034
Energy: 2.456987275227651
Energy: 1.917735924027865
Energy: 1.9179235068392182
Energy: 2.4569872752252664
Energy: 1.91773592402389
Energy: 1.9179235068392182
Energy: 2.4569872752308313
Energy: 1.917735924027865
Energy: 1.9179235068344485
Energy: 1.9241925492170124
Energy: 1.8974941884379055
Energy: 2.0247977556012433
Energy: 1.9241925492138325
Energy: 1.8974941884347254
Energy: 2.0247977556036285
Energy: 1.9241925492178074
Energy: 1.8974941884371102
Energy: 2.0247977556020382
Energy: 1.9241925492138325

minimum gb energy = 1.8809181616914277 eV
minimum distance =  2.20580739394462 Angstroms
sigma value = 33