Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000
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=3.521391771733761
cohesive_energy=4.450349977866793
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: 0.020522605791016887
Energy: 0.5149115784752624
Energy: 0.5149115784752624
Energy: 0.020522605791016887
Energy: 0.5149115784752624
Energy: 0.5149115784752624
Energy: 0.020522605791016887
Energy: 0.5149115784752624
Energy: 0.5149115784752624
Energy: 0.020522605791016887
Energy: 0.5120359530054479
Energy: 0.024072251638194424
Energy: 0.5124628380492243
Energy: 0.5120359530054479
Energy: 0.024072251638194424
Energy: 0.5124628380492243
Energy: 0.5120359530054479
Energy: 0.024072251638194424
Energy: 0.5124628380492243
Energy: 0.5120359530054479
Energy: 0.8991211579444417
Energy: 0.4738661034443191
Energy: 0.2506183176140256
Energy: 1.341074663851147
Energy: 1.0560957437529814
Energy: 0.02100624428999868
Energy: 2.05080906809834
Energy: 1.122661735527405
Energy: 0.02100624428999868
Energy: 1.2548347667779853
Energy: 0.5120359530054479
Energy: 0.5124628380492243
Energy: 0.024072251638194424
Energy: 0.5120359530054479
Energy: 0.5124628380492243
Energy: 0.024072251638194424
Energy: 0.5120359530054479
Energy: 0.5124628380492243
Energy: 0.024072251638194424
Energy: 0.5120359530054479
Energy: 0.020522605791016887
Energy: 0.5149115784752624
Energy: 0.5149115784752624
Energy: 0.020522605791016887
Energy: 0.5149115784752624
Energy: 0.5149115784752624
Energy: 0.020522605789493505
Energy: 0.5149115784752624
Energy: 0.5149115784752624
Energy: 0.020522605789493505
Energy: 0.5120359530054479
Energy: 0.024072251638194424
Energy: 0.5124628380492243
Energy: 0.5120359530054479
Energy: 0.024072251638194424
Energy: 0.5124628380492243
Energy: 0.5120359530054479
Energy: 0.024072251636671038
Energy: 0.5124628380492243
Energy: 0.5120359530054479
Energy: 1.6196270235128587
Energy: 1.122661735527405
Energy: 0.02100624428999868
Energy: 2.2978017076579955
Energy: 1.122661735527405
Energy: 0.02100624428999868
Energy: 1.786386127754065
Energy: 1.122661735527405
Energy: 0.02100624428999868
Energy: 1.6196270235143821

minimum gb energy = 0.020522605789493505 eV
minimum distance =  2.15172102928339 Angstroms
sigma value = 3


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

Energy: 1.4748686852623498
Energy: 1.6720804967460074
Energy: 1.6721743465278223
Energy: 1.3883908371281273
Energy: 1.6720804967460074
Energy: 1.6721743465315535
Energy: 1.4748686852660813
Energy: 1.6720804967460074
Energy: 1.6721743465315535
Energy: 1.3883908371281273
Energy: 1.484885413045203
Energy: 1.416469977836627
Energy: 1.6463384421749125
Energy: 1.484885413582269
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Energy: 1.6463384421749125
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Energy: 1.416469977836627
Energy: 1.6463384421749125
Energy: 1.4848854128698894
Energy: 1.6036485053697291
Energy: 1.7760934781321218
Energy: 1.7186587519560432
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Energy: 1.7186587519523118
Energy: 1.6036485053697291
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Energy: 1.7186587519523118
Energy: 1.6183265503487483
Energy: 1.6697783382028493
Energy: 1.6723613941911357
Energy: 1.33669378157933
Energy: 1.6697783382028493
Energy: 1.6723613941911357
Energy: 1.33669378157933
Energy: 1.6697783382065807
Energy: 1.6723613941874043
Energy: 1.33669378157933
Energy: 1.6697783382028493
Energy: 1.276421197134634
Energy: 1.8698565091738057
Energy: 1.612714350798038
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Energy: 1.7552630716583977
Energy: 1.6299441968951682
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Energy: 1.7913711835490984
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Energy: 1.6262263267320027
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Energy: 1.6282135127814052
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Energy: 1.67243475046534
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Energy: 1.3368170889905928
Energy: 1.6570221186451715
Energy: 1.657061018936896
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Energy: 1.6570221186451715
Energy: 1.657061018936896
Energy: 1.6250438105105396
Energy: 1.777646076906634
Energy: 1.4165812002740275
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Energy: 1.777646076906634
Energy: 1.4166890553644673
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Energy: 1.7394540756861008
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Energy: 1.744609539871664
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Energy: 1.7446095399052477
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Energy: 1.4803423123382233
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Energy: 1.6720429724053967
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Energy: 1.4060925221286937
Energy: 1.6439708759367067
Energy: 1.6443736987138913
Energy: 1.4060925221249623
Energy: 1.6439708759367067
Energy: 1.6443736987138913
Energy: 1.4060925221286937
Energy: 1.6439708759404381
Energy: 1.6443736987176227
Energy: 1.6721454183886753
Energy: 1.7963026880139967
Energy: 1.5780478681507333
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Energy: 1.796302688010265
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Energy: 1.6721454183812123
Energy: 1.764576915143512
Energy: 1.4683022966417105
Energy: 1.3429961114742657
Energy: 1.764576915143512
Energy: 1.41192991584044
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Energy: 1.764576915143512
Energy: 1.4683022966342474
Energy: 1.3429961114779974
Energy: 1.7645769151397805
Energy: 1.2764475510693463
Energy: 1.868046811429524
Energy: 1.6368359762516547
Energy: 1.2764475510693463
Energy: 1.690908471997139
Energy: 1.7563461441803538
Energy: 1.2764475510768092
Energy: 1.8680468114332553
Energy: 1.6368376828059867
Energy: 1.2764475510768092
Energy: 1.6553462509204304
Energy: 1.3366557449542846
Energy: 1.6576824860751083
Energy: 1.6553462509204304
Energy: 1.3366557449580163
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Energy: 1.6553462509204304
Energy: 1.3366557449542846
Energy: 1.6576824860751083
Energy: 1.6553462509204304
Energy: 1.4450426853679819
Energy: 1.7195942767104668
Energy: 1.599012845929362
Energy: 1.4450426853679819
Energy: 1.7195942767067351
Energy: 1.599012845929362
Energy: 1.4450426853642502
Energy: 1.7195942767030035
Energy: 1.599012845929362
Energy: 1.4450426853642502
Energy: 1.4440071330845894
Energy: 1.6268804960113523
Energy: 1.4158144802999082
Energy: 1.4440071330845894
Energy: 1.6268804960113523
Energy: 1.4123331035292466
Energy: 1.4440071330845894
Energy: 1.6268804960150838
Energy: 1.4158144803036399
Energy: 1.4440071330845894
Energy: 1.3946410722709255
Energy: 1.6720804967460074
Energy: 1.6721743465315535
Energy: 1.4512814431065983
Energy: 1.6720804967460074
Energy: 1.6721743465315535
Energy: 1.3946410722709255
Energy: 1.6720804967460074
Energy: 1.6721743465278223
Energy: 1.45128144311033
Energy: 1.4848854083194802
Energy: 1.416469977836627
Energy: 1.6463384421711809
Energy: 1.4848854084089687
Energy: 1.4164699778403587
Energy: 1.6463384421749125
Energy: 1.4848854127393547
Energy: 1.416469977836627
Energy: 1.6463384421749125
Energy: 1.484885407006531
Energy: 1.6146960233230052
Energy: 1.7760934781321218
Energy: 1.7186587519560432
Energy: 1.606090116268027
Energy: 1.7760934781321218
Energy: 1.7186587519560432
Energy: 1.6146960233267367
Energy: 1.7760934781358535
Energy: 1.7186587519523118
Energy: 1.6060901162717587
Energy: 1.6697783382065807
Energy: 1.6723613941874043
Energy: 1.33669378157933
Energy: 1.6697783382028493
Energy: 1.6723613941911357
Energy: 1.3366937815755986
Energy: 1.6697783382065807
Energy: 1.6723613941874043
Energy: 1.33669378157933
Energy: 1.6697783382065807

minimum gb energy = 1.2764211971271713 eV
minimum distance =  2.21583936596053 Angstroms
sigma value = 75


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

Energy: 1.6045336572104154
Energy: 1.350925243845845
Energy: 1.3507294429457528
Energy: 1.5133718776323415
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Energy: 1.5232610173211871
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minimum gb energy = 1.3384183481432692 eV
minimum distance =  2.21950277398057 Angstroms
sigma value = 105


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

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Energy: 1.6277585847324854
Energy: 1.7091527373355193
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Energy: 1.491318206129844
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Energy: 1.6512849765072544
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Energy: 1.6526791795636386
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Energy: 1.6526791795636386
Energy: 1.5921698716621038
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Energy: 1.6526791795636386
Energy: 1.5952325844550206
Energy: 1.5867782074232086
Energy: 1.588275408826752
Energy: 1.5952325844550206
Energy: 1.586778207421155
Energy: 1.5882754088288065
Energy: 1.5952325844550206
Energy: 1.586778207421155
Energy: 1.5882754088288065
Energy: 1.5952325844529665
Energy: 1.5842744840697436
Energy: 1.5999529875682337
Energy: 1.623535368921339
Energy: 1.5842744840676894
Energy: 1.5997713261205881
Energy: 1.623535368921339
Energy: 1.5842744840717977
Energy: 1.5999529875641252
Energy: 1.623535368921339
Energy: 1.5842744840717977
Energy: 1.884659318522669
Energy: 1.6110450015273023
Energy: 1.6780279312396438
Energy: 1.884659318522669
Energy: 1.611043693142982
Energy: 1.6780279312437518
Energy: 1.8846593185206149
Energy: 1.6110450015314108
Energy: 1.6780279312437518
Energy: 1.8846593185206149
Energy: 1.5020633892235844
Energy: 1.6246123115245281
Energy: 1.4723850022746097
Energy: 1.5020633892235844
Energy: 1.6246123115265823
Energy: 1.4723850022746097
Energy: 1.5020633892256388
Energy: 1.6246123115265823
Energy: 1.4723850022746097
Energy: 1.5020633892276927
Energy: 1.7205303480404366
Energy: 1.6880280151561022
Energy: 1.615182231917083
Energy: 1.7205303480383827
Energy: 1.688023822107529
Energy: 1.615182231917083
Energy: 1.7205303480383827
Energy: 1.6880280151561022
Energy: 1.6151822319191373
Energy: 1.7205303480404366
Energy: 1.6629098111280218
Energy: 1.6614673067988595
Energy: 1.6868514076705505
Energy: 1.6629098111280218
Energy: 1.6615633218073103
Energy: 1.6868514076726049
Energy: 1.6629098111300757
Energy: 1.6614673068009136
Energy: 1.6868514076705505
Energy: 1.6629098111280218
Energy: 1.6763348499351918
Energy: 1.5644411371644804
Energy: 1.6602559849547254
Energy: 1.6763348499372461
Energy: 1.5644409131050445
Energy: 1.6602559849547254
Energy: 1.6763348499351918
Energy: 1.5644411371644804
Energy: 1.6602559849547254
Energy: 1.6763348499351918

minimum gb energy = 1.4723850022746097 eV
minimum distance =  2.19421495570151 Angstroms
sigma value = 165


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

Energy: 1.425899942929681
Energy: 1.6042889573483188
Energy: 1.6046606449386858
Energy: 1.4258999429289756
Energy: 1.604288957349024
Energy: 1.6046606449379806
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Energy: 1.6042889573462034
Energy: 1.6046606449379806
Energy: 1.4258999429289756
Energy: 1.6046550810566305
Energy: 1.4237590966693812
Energy: 1.6408929392723393
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Energy: 1.6046550810665035
Energy: 1.4237590966686762
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Energy: 1.6046550810601565
Energy: 1.543260310514008
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Energy: 1.3847198114333992
Energy: 1.543260310513303
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Energy: 1.3847198114333992
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Energy: 1.7029950677004515
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Energy: 1.6494499927102675
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Energy: 1.765319018856907
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Energy: 1.6051942524223202
Energy: 1.765319018856907
Energy: 1.6357463976970148
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Energy: 1.4871776742490772
Energy: 1.7040308057856393
Energy: 1.7800643699974537
Energy: 1.4871776742504876
Energy: 1.7040308057863445
Energy: 1.7800643699981586
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Energy: 1.7040308057856393
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Energy: 1.4871776742504876
Energy: 1.5349048714222098
Energy: 1.53686510310071
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Energy: 1.603384744067446
Energy: 1.5349048714222098
Energy: 1.536865103102825
Energy: 1.6033847440660356
Energy: 1.5349048714222098
Energy: 1.702844459099169
Energy: 1.4444377007623637
Energy: 1.7023498392588867
Energy: 1.7028444590998741
Energy: 1.4444377007644793
Energy: 1.7023498392581817
Energy: 1.702844459099169
Energy: 1.4444377007623637
Energy: 1.7023498392581817
Energy: 1.7028444590998741
Energy: 1.5432035462794211
Energy: 1.3845266198997355
Energy: 1.6190851277537228
Energy: 1.5432035462773057
Energy: 1.3845266198976203
Energy: 1.6190851277530176
Energy: 1.5432035462787161
Energy: 1.3845266198976203
Energy: 1.6190851277537228
Energy: 1.5432035462773057
Energy: 1.6046647615247547
Energy: 1.6403850344473072
Energy: 1.4237028447890703
Energy: 1.6046647615240492
Energy: 1.6403850372865285
Energy: 1.4237028447904807
Energy: 1.6046647615240492
Energy: 1.6403850373478157
Energy: 1.4237028447933016
Energy: 1.6046647615240492
Energy: 1.4258999429289756
Energy: 1.6042889573476138
Energy: 1.604660644939391
Energy: 1.4258999429282704
Energy: 1.6042889573462034
Energy: 1.6046606449379806
Energy: 1.4258999429289756
Energy: 1.6042889573476138
Energy: 1.6046606449379806
Energy: 1.4258999429282704

minimum gb energy = 1.3845266198976203 eV
minimum distance =  2.28257635248795 Angstroms
sigma value = 41


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

Energy: 1.4906267508658848
Energy: 1.4743728146429291
Energy: 1.4687249807941207
Energy: 1.4502734429486046
Energy: 1.4743728146429291
Energy: 1.4687249807968568
Energy: 1.490626750863149
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Energy: 1.3813022040599992
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Energy: 1.5737761585426064
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Energy: 1.2937227329370888
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Energy: 1.2828146958240083
Energy: 1.3800377736525002
Energy: 1.4999517827403972
Energy: 1.46975087296932
Energy: 1.492354048424421
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Energy: 1.469750872966584
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Energy: 1.4600462155099352
Energy: 1.3857616590077175
Energy: 1.4309000474232776
Energy: 1.4257676081275923
Energy: 1.3857616590077175
Energy: 1.4309000474232776
Energy: 1.4257676081330644
Energy: 1.3857616590049815
Energy: 1.4309000474259637
Energy: 1.4257676081303283
Energy: 1.3857616590022952
Energy: 1.4013528459277307
Energy: 1.5102825279360985
Energy: 1.2750381262318375
Energy: 1.401352845930467
Energy: 1.5102825279360985
Energy: 1.2751866272857106
Energy: 1.4013528459277307
Energy: 1.5102825279388346
Energy: 1.2750381262318375
Energy: 1.4013528459277307
Energy: 1.4747571902365664
Energy: 1.479010834224761
Energy: 1.273170317514254
Energy: 1.4747571902338301
Energy: 1.4790108342302333
Energy: 1.273468060581112
Energy: 1.4747571902338301
Energy: 1.479010834232969
Energy: 1.2731703175115177
Energy: 1.4747571902365664
Energy: 1.3036004986889143
Energy: 1.6459892272960974
Energy: 1.3398109858638163
Energy: 1.3036004986889143
Energy: 1.6459892272988337
Energy: 1.3398109858638163
Energy: 1.3036004986889143
Energy: 1.6459892272988337
Energy: 1.3398109858610805
Energy: 1.3036004986916503
Energy: 1.3351955054054065
Energy: 1.3165573621915485
Energy: 1.3202126015975733
Energy: 1.3351955054026705
Energy: 1.3165573621942845
Energy: 1.320212601594837
Energy: 1.3351955054054065
Energy: 1.3165573621915485
Energy: 1.320212601594837
Energy: 1.3351955054054065
Energy: 1.4254503005279853
Energy: 1.4738512455365702
Energy: 1.3948375268626076
Energy: 1.4254503005307213
Energy: 1.4738512455338344
Energy: 1.3948375268598714
Energy: 1.4254503005279853
Energy: 1.4738512455338344
Energy: 1.3948375268598714
Energy: 1.4254503005307213
Energy: 1.5749066316942617
Energy: 1.460127682818453
Energy: 1.404459979549627
Energy: 1.5749066316915257
Energy: 1.4601276828211893
Energy: 1.404459979546891
Energy: 1.5749066316915257
Energy: 1.4601276828211893
Energy: 1.404459979546891
Energy: 1.5749066316942617
Energy: 1.4802348967021548
Energy: 1.3444082980945453
Energy: 1.4513122644906062
Energy: 1.4802348967048906
Energy: 1.3444083001101388
Energy: 1.45131226448787
Energy: 1.4802348967076269
Energy: 1.3444082997245013
Energy: 1.4513122644906062
Energy: 1.4802348967048906
Energy: 1.2557424257194958
Energy: 1.5222958787425995
Energy: 1.3736161203013622
Energy: 1.2557424257194958
Energy: 1.5221743751998837
Energy: 1.3736161203013622
Energy: 1.2557424257194958
Energy: 1.5222958787398635
Energy: 1.3736161203013622
Energy: 1.255742425722232
Energy: 1.286724876692646
Energy: 1.2936635449957687
Energy: 1.293022858608244
Energy: 1.2867248766871737
Energy: 1.2936615870747472
Energy: 1.2930226657156823
Energy: 1.28672487668991
Energy: 1.2936635449957687
Energy: 1.2930228586055077
Energy: 1.28672487668991
Energy: 1.276182266991835
Energy: 1.300880029778175
Energy: 1.3048772213632642
Energy: 1.2761822670055154
Energy: 1.3008788533688125
Energy: 1.3048772213851527
Energy: 1.2761822670000436
Energy: 1.300880029783647
Energy: 1.3048772213441115
Energy: 1.2761822670000436
Energy: 1.6057283159642435
Energy: 1.302118432850552
Energy: 1.3812757326279257
Energy: 1.6057283159642435
Energy: 1.3021236093493616
Energy: 1.3812757326306615
Energy: 1.6057283159642435
Energy: 1.302118432850552
Energy: 1.3812757326333978
Energy: 1.6057283159642435
Energy: 1.4963474819982916
Energy: 1.4226568277395544
Energy: 1.2761394145447051
Energy: 1.5484987973878204
Energy: 1.4226568277368181
Energy: 1.276139414541969
Energy: 1.5244629536467096
Energy: 1.4226568277368181
Energy: 1.276139414541969
Energy: 1.5665848801797209

minimum gb energy = 1.2557424257194958 eV
minimum distance =  2.259132784936 Angstroms
sigma value = 185


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

Energy: 0.7958717870789586
Energy: 0.6939273954389809
Energy: 0.6938834450604453
Energy: 0.6409833600846259
Energy: 0.6939273954399848
Energy: 0.6938834450595006
Energy: 0.7958717870780138
Energy: 0.6939273954425832
Energy: 0.6938834450597957
Energy: 0.6409833600846259
Energy: 0.7633661823268618
Energy: 0.7245622433270926
Energy: 0.914008066721112
Energy: 0.7427418881497001
Energy: 0.7245622433257936
Energy: 0.9936671672830542
Energy: 0.7633661823271571
Energy: 0.7245622433254392
Energy: 0.9140080667201081
Energy: 0.742741888152948
Energy: 0.5876000304046491
Energy: 0.7245215744530735
Energy: 0.6405157533781588
Energy: 0.6395576470767593
Energy: 0.7245215744543727
Energy: 0.5886116775874438
Energy: 0.5876000304029956
Energy: 0.7245215744540774
Energy: 0.6405157533801075
Energy: 0.6395576470793577
Energy: 0.8205141828615474
Energy: 0.6942006618290575
Energy: 0.7246912378257898
Energy: 0.8205141828615474
Energy: 0.6942006618316559
Energy: 0.7246912378270889
Energy: 0.820514182862197
Energy: 0.6942006618303567
Energy: 0.724691237823841
Energy: 0.8205141828624923
Energy: 0.6943481341876664
Energy: 0.7241533017346529
Energy: 0.5355883023195948
Energy: 0.6943481341870168
Energy: 0.7241533017342986
Energy: 0.5355883023221929
Energy: 0.6943481341876664
Energy: 0.7241533017353025
Energy: 0.5355883023212481
Energy: 0.6943481341883159
Energy: 0.8922010826982097
Energy: 1.0286767919380448
Energy: 0.7606124670244725
Energy: 0.8922010826988593
Energy: 0.9960793166627474
Energy: 0.7606124670225237
Energy: 0.8922010826991545
Energy: 1.028676791939344
Energy: 0.7606124670228782
Energy: 0.8922010826978555
Energy: 0.6941800702670992
Energy: 0.7116169337344231
Energy: 0.8406847682819859
Energy: 0.6941800702687526
Energy: 0.74877093994746
Energy: 0.8406847682823403
Energy: 0.6941800702655047
Energy: 0.7116169337344231
Energy: 0.8406847682819859
Energy: 0.6941800702651505
Energy: 0.8920815181218161
Energy: 0.6402434570178149
Energy: 0.693880448825896
Energy: 0.8920815181237648
Energy: 0.5875024248216637
Energy: 0.6938804488232976
Energy: 0.8920815181234696
Energy: 0.6402434570136224
Energy: 0.693880448822648
Energy: 0.8920815181208712
Energy: 0.6043988786434737
Energy: 0.761991140892086
Energy: 0.6940383270762946
Energy: 0.7076704826153933
Energy: 0.724590087066737
Energy: 0.6940383270756451
Energy: 0.6043988786444776
Energy: 0.7619911408897828
Energy: 0.6940383270752908
Energy: 0.7076704826130902
Energy: 0.5875755225051111
Energy: 0.5885863268864691
Energy: 0.725919722831068
Energy: 0.587564186980762
Energy: 0.5885338667706245
Energy: 0.7259197228291192
Energy: 0.5875755225038122
Energy: 0.5885863268858194
Energy: 0.7259197228284696
Energy: 0.5875641869804668
Energy: 0.7426105293301588
Energy: 0.8401579130894221
Energy: 0.7243959631714938
Energy: 0.7426105293285645
Energy: 0.8401579130897763
Energy: 0.7243959631708443
Energy: 0.7426105293321076
Energy: 0.8401579130900717
Energy: 0.7243959631701947
Energy: 0.7426105293318124
Energy: 0.5358205186625093
Energy: 0.6939273954399848
Energy: 0.6938834450601502
Energy: 0.5358205186625093
Energy: 0.6939273954399848
Energy: 0.6938834450595006
Energy: 0.5358205186625093
Energy: 0.6939273954425832
Energy: 0.6938834450601502
Energy: 0.5358205186628637
Energy: 0.7427418881539518
Energy: 0.724562243327388
Energy: 0.9543882976595945
Energy: 0.7427418881494048
Energy: 0.7245622433257936
Energy: 0.9543882976582954
Energy: 0.742741888152948
Energy: 0.7245622433254392
Energy: 0.9543882976563468
Energy: 0.7427418881535975
Energy: 0.5876130604627905
Energy: 0.7245215744550223
Energy: 0.5886337191661892
Energy: 0.5876130604627905
Energy: 0.7245215744534278
Energy: 0.588633719160343
Energy: 0.587613060464444
Energy: 0.7245215744537231
Energy: 0.5886337191629413
Energy: 0.5876130604634401
Energy: 0.8205141828628466
Energy: 0.6942006618290575
Energy: 0.7246912378251402
Energy: 0.820514182862197
Energy: 0.6942006618310063
Energy: 0.7246912378270889
Energy: 0.8205141828615474
Energy: 0.6942006618306519
Energy: 0.7246912378241955
Energy: 0.820514182862197
Energy: 0.6943481341883159
Energy: 0.7241533017327042
Energy: 0.5875398805652662
Energy: 0.6943481341886112
Energy: 0.7241533017333537
Energy: 0.6403396154950446
Energy: 0.6943481341889655
Energy: 0.7241533017368968
Energy: 0.5875398805659158
Energy: 0.694348134189615
Energy: 0.8922010826978555
Energy: 0.952317592209741
Energy: 0.760612467026126
Energy: 0.8922010826975602
Energy: 1.028676791940643
Energy: 0.7606124670228782
Energy: 0.8922010826991545
Energy: 0.9523175922093867
Energy: 0.7606124670205751
Energy: 0.892201082698505
Energy: 0.6941800702677486
Energy: 0.7116169337344231
Energy: 0.8406847682826355
Energy: 0.6941800702681031
Energy: 0.7116169337341278
Energy: 0.8406847682823403
Energy: 0.6941800702664496
Energy: 0.7116169337350726
Energy: 0.8406847682823403
Energy: 0.6941800702648552
Energy: 0.8920815181224657
Energy: 0.5355625939009042
Energy: 0.6938804488255417
Energy: 0.8920815181224657
Energy: 0.5355625938992508
Energy: 0.6938804488232976
Energy: 0.8920815181237648
Energy: 0.5355625938989554
Energy: 0.6938804488232976
Energy: 0.8920815181211665
Energy: 0.7076704826153933
Energy: 0.7245900870657921
Energy: 0.6940383270756451
Energy: 0.707670482615039
Energy: 0.7245900870670913
Energy: 0.6940383270759404
Energy: 0.7076704826160428
Energy: 0.7245900870660874
Energy: 0.6940383270769442
Energy: 0.707670482612795
Energy: 0.5875799113581807
Energy: 0.588541827970627
Energy: 0.7259197228314224
Energy: 0.6394986900703694
Energy: 0.6403243989883045
Energy: 0.7259197228301231
Energy: 0.5875799113568815
Energy: 0.588541827969682
Energy: 0.725919722828824
Energy: 0.639498690068775
Energy: 0.7633529303825392
Energy: 0.8401579130897763
Energy: 0.7243959631701947
Energy: 0.7633529303844878
Energy: 0.8401579130894221
Energy: 0.724395963169545
Energy: 0.7633529303847831
Energy: 0.8401579130891268
Energy: 0.7243959631701947
Energy: 0.7633529303841335
Energy: 0.7958717870780138
Energy: 0.6939273954386858
Energy: 0.6938834450595006
Energy: 0.6409833600839763
Energy: 0.6939273954399848
Energy: 0.6938834450601502
Energy: 0.7958717870796082
Energy: 0.6939273954425832
Energy: 0.6938834450595006
Energy: 0.6409833600833268
Energy: 0.7633661823271571
Energy: 0.724562243326443
Energy: 0.9140080667214072
Energy: 0.7427418881500544
Energy: 0.7245622433251439
Energy: 0.9936671672830542
Energy: 0.7633661823271571
Energy: 0.7245622433257936
Energy: 0.9140080667191632
Energy: 0.742741888152948
Energy: 0.5876000304039997
Energy: 0.7245215744527783
Energy: 0.6405157533781588
Energy: 0.6395576470770546
Energy: 0.7245215744534278
Energy: 0.5886116775886838
Energy: 0.5876000304039997
Energy: 0.7245215744527783
Energy: 0.6405157533798121
Energy: 0.6395576470777042
Energy: 0.820514182862197
Energy: 0.6942006618293527
Energy: 0.724691237824845
Energy: 0.8205141828618427
Energy: 0.6942006618313014
Energy: 0.7246912378277385
Energy: 0.820514182862197
Energy: 0.6942006618303567
Energy: 0.7246912378251402
Energy: 0.8205141828624923
Energy: 0.6943481341889655
Energy: 0.7241533017340033
Energy: 0.5355883023202442
Energy: 0.6943481341886112
Energy: 0.7241533017340033
Energy: 0.5355883023218977
Energy: 0.6943481341870168
Energy: 0.7241533017366015
Energy: 0.5355883023202442
Energy: 0.6943481341886112
Energy: 0.8922010826978555
Energy: 1.0286767919373951
Energy: 0.7606124670254764
Energy: 0.8922010826978555
Energy: 0.9960793166630424
Energy: 0.7606124670222286
Energy: 0.8922010826991545
Energy: 1.0286767919399933
Energy: 0.7606124670218742
Energy: 0.8922010826965563
Energy: 0.6941800702670992
Energy: 0.7116169337328286
Energy: 0.8406847682823403
Energy: 0.6941800702670992
Energy: 0.7487709399465152
Energy: 0.8406847682819859
Energy: 0.6941800702661542
Energy: 0.7116169337357222
Energy: 0.8406847682829899
Energy: 0.6941800702670992
Energy: 0.8920815181208712
Energy: 0.6402434570175198
Energy: 0.6938804488248921
Energy: 0.8920815181224657
Energy: 0.5875024248203645
Energy: 0.693880448823593
Energy: 0.8920815181244144
Energy: 0.6402434570139176
Energy: 0.693880448822648
Energy: 0.8920815181218161
Energy: 0.6043988786434737
Energy: 0.7619911408927356
Energy: 0.6940383270756451
Energy: 0.7076704826140942
Energy: 0.7245900870670913
Energy: 0.6940383270759404
Energy: 0.6043988786444776
Energy: 0.7619911408897828
Energy: 0.6940383270752908
Energy: 0.7076704826147437
Energy: 0.5875755225041664
Energy: 0.5885863268851698
Energy: 0.7259197228314224
Energy: 0.587564186983065
Energy: 0.5885338667699749
Energy: 0.7259197228291192
Energy: 0.5875755225051111
Energy: 0.5885863268854652
Energy: 0.7259197228284696
Energy: 0.5875641869798172
Energy: 0.7426105293301588
Energy: 0.8401579130894221
Energy: 0.7243959631711986
Energy: 0.74261052932821
Energy: 0.8401579130887724
Energy: 0.724395963169545
Energy: 0.7426105293295092
Energy: 0.8401579130887724
Energy: 0.7243959631688954
Energy: 0.7426105293305132

minimum gb energy = 0.5355625938989554 eV
minimum distance =  2.35065257324575 Angstroms
sigma value = 33


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

Energy: 1.2944798221923683
Energy: 1.3582829170890485
Energy: 1.3582639966562897
Energy: 1.2944798221923683
Energy: 1.3582829170890485
Energy: 1.3582639966562897
Energy: 1.2944798221941514
Energy: 1.3582829170890485
Energy: 1.3582639966562897
Energy: 1.2944798221923683
Energy: 1.3721051398744217
Energy: 1.207402231143276
Energy: 1.3154307472072726
Energy: 1.3721051398726387
Energy: 1.207402231141493
Energy: 1.3154307472072726
Energy: 1.3721051398744217
Energy: 1.207402231141493
Energy: 1.3154307472072726
Energy: 1.3721051398708561
Energy: 1.2428404994917766
Energy: 1.137440409145689
Energy: 1.237588406850382
Energy: 1.2709488368873632
Energy: 1.137440409147472
Energy: 1.2438393326990134
Energy: 1.2709488368855801
Energy: 1.137440409145689
Energy: 1.2438393326990134
Energy: 1.2851857652241516
Energy: 1.4645937286862367
Energy: 1.2082896712498477
Energy: 1.4805991446553615
Energy: 1.4645937286862367
Energy: 1.2082896712498477
Energy: 1.4805991446553615
Energy: 1.4645937286862367
Energy: 1.2082896712498477
Energy: 1.4805991446553615
Energy: 1.4645937286862367
Energy: 1.416878902361107
Energy: 1.3057833262191783
Energy: 1.2330943955711295
Energy: 1.41687890236289
Energy: 1.3057833262191783
Energy: 1.2330943955693465
Energy: 1.416878902361107
Energy: 1.3057833262191783
Energy: 1.2330943955711295
Energy: 1.416878902361107
Energy: 1.2656090859834446
Energy: 1.373854330014042
Energy: 1.3595815253305406
Energy: 1.2656090859816618
Energy: 1.373854330014042
Energy: 1.3595815253305406
Energy: 1.2656090859834446
Energy: 1.373854330014042
Energy: 1.3595815253305406
Energy: 1.2656090859816618
Energy: 1.184331222502316
Energy: 1.324313440154365
Energy: 1.4079530396677242
Energy: 1.184331222504099
Energy: 1.324313440156148
Energy: 1.4079530396677242
Energy: 1.184331222502316
Energy: 1.324313440154365
Energy: 1.4079530396695072
Energy: 1.184331222504099
Energy: 1.235314353944699
Energy: 1.2215410268556581
Energy: 1.2389264378345204
Energy: 1.235314353944699
Energy: 1.2215410268556581
Energy: 1.2389264378363032
Energy: 1.235314353944699
Energy: 1.2215410268556581
Energy: 1.2389264378345204
Energy: 1.235314353944699
Energy: 1.3333349810359902
Energy: 1.1763979165892458
Energy: 1.3452816082694339
Energy: 1.3333349810377733
Energy: 1.1763979165892458
Energy: 1.345281608267651
Energy: 1.3333349810359902
Energy: 1.1763979165892458
Energy: 1.3452816082694339
Energy: 1.3333349810377733
Energy: 1.3357413883953453
Energy: 1.207248643276976
Energy: 1.4795598028725339
Energy: 1.3357413883935947
Energy: 1.207248643275193
Energy: 1.4795598028725339
Energy: 1.3357413883953453
Energy: 1.207248643276976
Energy: 1.4795598028725339
Energy: 1.3357413883935947
Energy: 1.335874855779775
Energy: 1.3968218900487817
Energy: 1.2258611836687494
Energy: 1.335874855777992
Energy: 1.3968218900523475
Energy: 1.2258611836687494
Energy: 1.335874855779775
Energy: 1.3968218900487817
Energy: 1.2258611836687494
Energy: 1.335874855777992
Energy: 1.2080702519465734
Energy: 1.2860882541001086
Energy: 1.439827920109565
Energy: 1.2080702519448228
Energy: 1.2860882540983256
Energy: 1.4398279201113475
Energy: 1.2080702519448228
Energy: 1.2860882541001086
Energy: 1.439827920109565
Energy: 1.2080702519448228
Energy: 1.2003887055543119
Energy: 1.2245853973194094
Energy: 1.284044565302235
Energy: 1.2003887055543119
Energy: 1.2245853973176264
Energy: 1.284044565300452
Energy: 1.2003887055543119
Energy: 1.2245853973176264
Energy: 1.284044565302235
Energy: 1.2003887055543119
Energy: 1.2075753362028274
Energy: 1.3621285060833652
Energy: 1.2814908790605912
Energy: 1.2075753362010444
Energy: 1.3621285060815822
Energy: 1.2814908790605912
Energy: 1.2075753362028274
Energy: 1.3621285060815822
Energy: 1.2814908790605912
Energy: 1.2075753362010444
Energy: 1.3611149295938398
Energy: 1.2402568711793285
Energy: 1.3418009222241867
Energy: 1.3611149295920568
Energy: 1.2402568711775457
Energy: 1.3418009222259697
Energy: 1.3611149295920568
Energy: 1.2402568711793285
Energy: 1.3418009222224037
Energy: 1.3611149295920568
Energy: 1.348413410083257
Energy: 1.3683492934908268
Energy: 1.2073092749371097
Energy: 1.348413410083257
Energy: 1.3683492934908268
Energy: 1.2073092749371097
Energy: 1.348413410083257
Energy: 1.3683492934908268
Energy: 1.2073092749388927
Energy: 1.348413410083257
Energy: 1.3238199388665504
Energy: 1.416194515167437
Energy: 1.2411182854376739
Energy: 1.3238199388665504
Energy: 1.4161945151692201
Energy: 1.2411182854394571
Energy: 1.3238199388665504
Energy: 1.416194515167437
Energy: 1.2411182854376739
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Energy: 1.2348652793161659
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Energy: 1.2547440985356548
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Energy: 1.2731521073450234
Energy: 1.2968532126573065
Energy: 1.3552624316215767
Energy: 1.2731521073432404
Energy: 1.251323093739814
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Energy: 1.2266186073652043
Energy: 1.251323093738031
Energy: 1.3523595526370469
Energy: 1.2266186073652043
Energy: 1.251323093739814
Energy: 1.35235955263883
Energy: 1.2266186073652043
Energy: 1.251323093738031
Energy: 1.31904034039854
Energy: 1.47430212902674
Energy: 1.4871077811970905
Energy: 1.319040340400323
Energy: 1.4743021290285228
Energy: 1.4871077812006566
Energy: 1.31904034039854
Energy: 1.47430212902674
Energy: 1.4871077811988735
Energy: 1.31904034039854
Energy: 1.3542350326172223
Energy: 1.3174196721694431
Energy: 1.3016082872779307
Energy: 1.3542350326172223
Energy: 1.3174196721694431
Energy: 1.3016082872814967
Energy: 1.3542350326172223
Energy: 1.3174196721694431
Energy: 1.3016082872779307
Energy: 1.3542350326190054
Energy: 1.323244774553916
Energy: 1.4056479647667817
Energy: 1.326246957292329
Energy: 1.323244774555699
Energy: 1.4056479647667817
Energy: 1.326246957292329
Energy: 1.323244774552133
Energy: 1.4056479647685645
Energy: 1.326246957292329
Energy: 1.323244774555699
Energy: 1.1714134632131261
Energy: 1.2445937218706327
Energy: 1.2960046463603372
Energy: 1.171413463211343
Energy: 1.2445937218724157
Energy: 1.2960046463603372
Energy: 1.1714134632131261
Energy: 1.2445937218706327
Energy: 1.2960046463603372
Energy: 1.1714134632131261

minimum gb energy = 1.1368081988595962 eV
minimum distance =  2.22164045056843 Angstroms
sigma value = 219


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

Energy: 1.4003997043743415
Energy: 1.7092007952824455
Energy: 1.7091606431522486
Energy: 1.4003997043743415
Energy: 1.7092007952824455
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Energy: 1.4847464277009388
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Energy: 1.689004189153529
Energy: 1.5725274309885293
Energy: 1.6958413851009844
Energy: 1.689004189152349
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Energy: 1.689004189152349
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Energy: 1.5240373401721634
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Energy: 1.3980546612579716
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Energy: 1.4749935349111756
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Energy: 1.4749935349099956
Energy: 1.3980546612615117
Energy: 1.5102093301819424
Energy: 1.4204333657579544
Energy: 1.398054661298092
Energy: 1.398706872632689
Energy: 1.6952587663945844
Energy: 1.7090683482284703
Energy: 1.398706872632689
Energy: 1.6952587663945844
Energy: 1.7090683482284703
Energy: 1.398706872632689
Energy: 1.6952587663945844
Energy: 1.7090683482284703
Energy: 1.398706872631509
Energy: 1.7384126142703988
Energy: 1.6070611399473702
Energy: 1.6810037639502167
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Energy: 1.6070611399473702
Energy: 1.6810037639502167
Energy: 1.7384126142703988
Energy: 1.6070611399473702
Energy: 1.6810037639502167
Energy: 1.7384126142715788

minimum gb energy = 1.388812321977957 eV
minimum distance =  2.26473202854381 Angstroms
sigma value = 15


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

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Energy: 1.882670929296822
Energy: 1.8239186651391444
Energy: 1.585232208418885
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Energy: 1.9044662072680474
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Energy: 1.7000901736664769
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Energy: 1.715524010953852
Energy: 1.5949967333545079
Energy: 1.7000901736577718
Energy: 1.715524010953852
Energy: 1.594730861569495
Energy: 1.7000901736642609
Energy: 1.6353140604021377
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minimum gb energy = 1.585232208418885 eV
minimum distance =  2.20162745371557 Angstroms
sigma value = 293


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

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Energy: 1.677723656591628
Energy: 1.5772466237283702
Energy: 1.5881170590367437
Energy: 1.5978058748625898
Energy: 1.5772466237283702
Energy: 1.5881170590340785
Energy: 1.5978058748625898
Energy: 1.5772466237283702
Energy: 1.5881170590367437
Energy: 1.5978058748625898
Energy: 1.5772466237283702
Energy: 1.6626502017608296
Energy: 1.6862190902168799
Energy: 1.634178613021627
Energy: 1.6626502017634948
Energy: 1.6862190902168799
Energy: 1.634178613021627
Energy: 1.6626502017608296
Energy: 1.6862190902195453
Energy: 1.634178613021627
Energy: 1.6626502017608296
Energy: 1.620930015660628
Energy: 1.9423892500089925
Energy: 1.9423099722898851
Energy: 1.620930015660628
Energy: 1.9423892500089925
Energy: 1.9423099722898851
Energy: 1.620930015660628
Energy: 1.9423892500089925
Energy: 1.9423099722898851
Energy: 1.6209300156579627
Energy: 1.6627163709485224
Energy: 1.6342168712885647
Energy: 1.6864308827440975
Energy: 1.6627163709485224
Energy: 1.6342168712885647
Energy: 1.6864308827440975
Energy: 1.6627163709485224
Energy: 1.6342168712885647
Energy: 1.6864308827440975
Energy: 1.6627163709485224
Energy: 1.5776362435341535
Energy: 1.597670111989839
Energy: 1.58818746783645
Energy: 1.577636243536819
Energy: 1.597670111989839
Energy: 1.5881874678337844
Energy: 1.577636243536819
Energy: 1.597670111989839
Energy: 1.5881874678337844
Energy: 1.577636243536819
Energy: 1.6777156660185577
Energy: 1.5970117116680342
Energy: 1.9238582552975965
Energy: 1.6777156660158925
Energy: 1.5970117116680342
Energy: 1.9238582552975965
Energy: 1.6777156660185577
Energy: 1.5970117116680342
Energy: 1.9238582552975965
Energy: 1.6777156660158925
Energy: 1.786081027508925
Energy: 1.596303730559903
Energy: 1.6536801336792948
Energy: 1.786081027508925
Energy: 1.596303730559903
Energy: 1.6536801336792948
Energy: 1.786081027508925
Energy: 1.5963037305572376
Energy: 1.6536801336792948
Energy: 1.786081027508925
Energy: 1.7507677059084754
Energy: 1.7089268324577358
Energy: 1.6536840832169346
Energy: 1.7507677059084754
Energy: 1.7089268324577358
Energy: 1.6536840832169346
Energy: 1.7507677059084754
Energy: 1.7089268324577358
Energy: 1.6536840832169346
Energy: 1.7507677059084754
Energy: 1.6350220914448486
Energy: 1.6017371837141097
Energy: 1.6321614663549338
Energy: 1.6350220914448486
Energy: 1.6017371837141097
Energy: 1.6321614663549338
Energy: 1.6350220914448486
Energy: 1.6017371837141097
Energy: 1.6321614663549338
Energy: 1.6350220914448486
Energy: 1.7059823959605949
Energy: 1.5760147995185185
Energy: 1.5763460487074388
Energy: 1.7059823959632603
Energy: 1.5760147995185185
Energy: 1.5763460487074388
Energy: 1.7059823959632603
Energy: 1.5760147995185185
Energy: 1.5763460487047736
Energy: 1.7059823959605949
Energy: 1.6340371914574072
Energy: 1.6365437494094952
Energy: 1.6013976432298518
Energy: 1.6340371914574072
Energy: 1.6365437494094952
Energy: 1.6013976432298518
Energy: 1.6340371914574072
Energy: 1.6365437494068298
Energy: 1.6013976432298518
Energy: 1.6340371914574072
Energy: 1.701963398237638
Energy: 1.6538579097727097
Energy: 1.7091996514000365
Energy: 1.7019633982349727
Energy: 1.6538579097727097
Energy: 1.7091996514000365
Energy: 1.701963398237638
Energy: 1.6538579097727097
Energy: 1.7091996514000365
Energy: 1.7019633982349727
Energy: 1.7860906673334733
Energy: 1.6538032203454784
Energy: 1.5960148385571473
Energy: 1.7860906673334733
Energy: 1.6538032203454784
Energy: 1.5960148385571473
Energy: 1.7860906673334733
Energy: 1.6538032203454784
Energy: 1.5960148385571473
Energy: 1.7860906673334733
Energy: 1.677723656591628
Energy: 1.9224097104766853
Energy: 1.5970574629906253
Energy: 1.677723656591628
Energy: 1.9224097104766853
Energy: 1.5970574629906253
Energy: 1.677723656591628
Energy: 1.9224097104740197
Energy: 1.5970574629906253
Energy: 1.677723656591628

minimum gb energy = 1.5760147995185185 eV
minimum distance =  2.20834683622667 Angstroms
sigma value = 293


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

Energy: 1.4839682280667572
Energy: 1.4845941704269647
Energy: 1.4845672963870211
Energy: 1.4839682280667572
Energy: 1.4845941704269647
Energy: 1.4845672963870211
Energy: 1.4839682280677209
Energy: 1.4845941704269647
Energy: 1.4845672963884664
Energy: 1.4839682280667572
Energy: 1.4821818512567753
Energy: 1.4844281356437836
Energy: 1.4847092366212076
Energy: 1.4821818512567753
Energy: 1.4844281356428204
Energy: 1.4847092366212076
Energy: 1.4821818512567753
Energy: 1.4844281356442655
Energy: 1.484709236622171
Energy: 1.4821818512567753
Energy: 1.4814098723915528
Energy: 1.481619479283187
Energy: 1.733022626196999
Energy: 1.4814098723910711
Energy: 1.481619479283187
Energy: 1.7330226250085996
Energy: 1.4814098723915528
Energy: 1.4816194792836686
Energy: 1.733022624969141
Energy: 1.4814098723910711
Energy: 1.7329897164099237
Energy: 1.4815210511246784
Energy: 1.4814004928358486
Energy: 1.732989716684382
Energy: 1.4815210511232333
Energy: 1.4814004928353668
Energy: 1.7329897148834772
Energy: 1.4815210511241967
Energy: 1.4814004928353668
Energy: 1.7329897163916177
Energy: 1.4846628358251595
Energy: 1.4844539626361881
Energy: 1.4819928405157798
Energy: 1.484662835826123
Energy: 1.48445396263667
Energy: 1.481992840517707
Energy: 1.484662835826123
Energy: 1.4844539626361881
Energy: 1.481992840517707
Energy: 1.4846628358256413
Energy: 1.4845941704260013
Energy: 1.484567296387503
Energy: 1.483968228067239
Energy: 1.4845941704274463
Energy: 1.4845672963865395
Energy: 1.4839682280667572
Energy: 1.4845941704274463
Energy: 1.4845672963870211
Energy: 1.4839682280667572
Energy: 1.4845941704260013
Energy: 1.4844281356428204
Energy: 1.484709236622171
Energy: 1.4821818512567753
Energy: 1.4844281356437836
Energy: 1.4847092366226529
Energy: 1.482181851257257
Energy: 1.4844281356428204
Energy: 1.4847092366216894
Energy: 1.4821818512567753
Energy: 1.4844281356442655
Energy: 1.4816194792836686
Energy: 1.733022626540827
Energy: 1.4814098723910711
Energy: 1.4816194792841504
Energy: 1.7330226254834165
Energy: 1.4814098723910711
Energy: 1.481619479283187
Energy: 1.7330226256620531
Energy: 1.4814098723915528
Energy: 1.481619479283187
Energy: 1.481521051123715
Energy: 1.4814004928353668
Energy: 1.7329897243059293
Energy: 1.4815210511241967
Energy: 1.4814004928358486
Energy: 1.7329897250773203
Energy: 1.481521051123715
Energy: 1.4814004928358486
Energy: 1.7329897216537093
Energy: 1.4815210511246784
Energy: 1.48445396263667
Energy: 1.4819928405181886
Energy: 1.4846628358256413
Energy: 1.4844539626361881
Energy: 1.4819928405172251
Energy: 1.4846628358256413
Energy: 1.4844539626361881
Energy: 1.4819928405181886
Energy: 1.4846628358266047
Energy: 1.4844539626361881
Energy: 1.484567296387503
Energy: 1.4839682280667572
Energy: 1.484594170426483
Energy: 1.4845672963865395
Energy: 1.483968228067239
Energy: 1.4845941704269647
Energy: 1.484567296387503
Energy: 1.4839682280667572
Energy: 1.4845941704269647
Energy: 1.4845672963879846
Energy: 1.484709236622171
Energy: 1.4821818512567753
Energy: 1.4844281356433022
Energy: 1.484709236620726
Energy: 1.4821818512567753
Energy: 1.4844281356442655
Energy: 1.484709236622171
Energy: 1.4821818512567753
Energy: 1.4844281356433022
Energy: 1.484709236620726
Energy: 1.7330226327124802
Energy: 1.4814098723905893
Energy: 1.4816194792836686
Energy: 1.7330226297809845
Energy: 1.4814098723910711
Energy: 1.481619479283187
Energy: 1.7330226282617638
Energy: 1.4814098723910711
Energy: 1.481619479283187
Energy: 1.733022627924242
Energy: 1.4814004928358486
Energy: 1.7329897292800303
Energy: 1.481521051123715
Energy: 1.4814004928353668
Energy: 1.7329897290787522
Energy: 1.4815210511241967
Energy: 1.4814004928358486
Energy: 1.7329897326016008
Energy: 1.481521051123715
Energy: 1.4814004928358486
Energy: 1.4819928405181886
Energy: 1.4846628358256413
Energy: 1.48445396263667
Energy: 1.481992840517707
Energy: 1.4846628358256413
Energy: 1.4844539626361881
Energy: 1.4819928405186704
Energy: 1.484662835826123
Energy: 1.4844539626361881
Energy: 1.481992840519152
Energy: 1.483968228067239
Energy: 1.4845941704269647
Energy: 1.484567296387503
Energy: 1.483968228067239
Energy: 1.4845941704279282
Energy: 1.4845672963870211
Energy: 1.483968228067239
Energy: 1.484594170426483
Energy: 1.4845672963870211
Energy: 1.4839682280667572
Energy: 1.4821818512558118
Energy: 1.4844281356442655
Energy: 1.484709236622171
Energy: 1.4821818512562936
Energy: 1.4844281356428204
Energy: 1.4847092366216894
Energy: 1.4821818512562936
Energy: 1.4844281356437836
Energy: 1.484709236622171
Energy: 1.4821818512562936
Energy: 1.4814098723910711
Energy: 1.481619479283187
Energy: 1.7330226369676993
Energy: 1.4814098723905893
Energy: 1.481619479282705
Energy: 1.733022635682033
Energy: 1.4814098723915528
Energy: 1.4816194792836686
Energy: 1.7330226375758693
Energy: 1.4814098723901077
Energy: 1.7329897445067461
Energy: 1.4815210511241967
Energy: 1.4814004928353668
Energy: 1.7329897418651241
Energy: 1.481521051123715
Energy: 1.4814004928353668
Energy: 1.732989746318687
Energy: 1.4815210511241967
Energy: 1.4814004928353668
Energy: 1.7329897419633542
Energy: 1.484662835826123
Energy: 1.4844539626357063
Energy: 1.4819928405172251
Energy: 1.4846628358256413
Energy: 1.4844539626361881
Energy: 1.4819928405181886
Energy: 1.484662835826123
Energy: 1.4844539626357063
Energy: 1.481992840519152
Energy: 1.484662835826123
Energy: 1.4845941704269647
Energy: 1.4845672963865395
Energy: 1.483968228067239
Energy: 1.484594170426483
Energy: 1.4845672963865395
Energy: 1.4839682280667572
Energy: 1.4845941704269647
Energy: 1.4845672963870211
Energy: 1.4839682280667572
Energy: 1.4845941704279282
Energy: 1.4844281356428204
Energy: 1.484709236622171
Energy: 1.4821818512562936
Energy: 1.4844281356437836
Energy: 1.484709236622171
Energy: 1.4821818512562936
Energy: 1.4844281356428204
Energy: 1.484709236620726
Energy: 1.4821818512562936
Energy: 1.4844281356437836

minimum gb energy = 1.4814004928353668 eV
minimum distance =  2.29087563600943 Angstroms
sigma value = 15


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

Energy: 1.5771233842270358
Energy: 1.7071589648356313
Energy: 1.6539441977450968
Energy: 1.5567239138818392
Energy: 1.707158964831264
Energy: 1.6539441978280378
Energy: 1.5771233842248522
Energy: 1.7071589648356313
Energy: 1.6539441977450968
Energy: 1.5567239138818392
Energy: 1.5660140004990188
Energy: 1.6267724801282848
Energy: 1.7297468950478563
Energy: 1.5660140004968353
Energy: 1.6267724801282848
Energy: 1.7297468950478563
Energy: 1.5660140004946512
Energy: 1.6267724801261012
Energy: 1.72974689505004
Energy: 1.5660140004968353
Energy: 1.715227139233782
Energy: 1.5620726742798772
Energy: 1.789307254825706
Energy: 1.7152271392315983
Energy: 1.5620726742798772
Energy: 1.789307254825706
Energy: 1.7152271392315983
Energy: 1.5620726742776934
Energy: 1.7893072548278501
Energy: 1.7152271392315983
Energy: 1.5392834286642625
Energy: 1.5615863599536026
Energy: 1.539942575038228
Energy: 1.5392834286642625
Energy: 1.5615863599514188
Energy: 1.539942575038228
Energy: 1.539283428666446
Energy: 1.5615863599492352
Energy: 1.539942575038228
Energy: 1.5392834286642625
Energy: 1.735192051529585
Energy: 1.5762768348033904
Energy: 1.6944011925359603
Energy: 1.7351920515317687
Energy: 1.5762768348033904
Energy: 1.6944011925359603
Energy: 1.7351920515317687
Energy: 1.5762768348033904
Energy: 1.6944011925359603
Energy: 1.735192051529585
Energy: 1.6226494208029845
Energy: 1.692387213815704
Energy: 1.5373474552651878
Energy: 1.6226494208008009
Energy: 1.6923872138178875
Energy: 1.537347455263004
Energy: 1.6226494208008009
Energy: 1.692387213820071
Energy: 1.537347455263004
Energy: 1.6226494208008009
Energy: 1.5638100152010763
Energy: 1.6938953393645966
Energy: 1.6156844712815017
Energy: 1.5637711715682063
Energy: 1.693895339368964
Energy: 1.6156844712793181
Energy: 1.5638100151988927
Energy: 1.6938953393667802
Energy: 1.6156844712793181
Energy: 1.5637711715682063
Energy: 1.5819320706618507
Energy: 1.7708122474189811
Energy: 1.7838581327943326
Energy: 1.5819320706618507
Energy: 1.7708122474146137
Energy: 1.7838581327921488
Energy: 1.5819320706596667
Energy: 1.7708122474167975
Energy: 1.7838581327899652
Energy: 1.5819320706596667
Energy: 1.7784982472562805
Energy: 1.5570488417344066
Energy: 1.5563020899469642
Energy: 1.7784982472562805
Energy: 1.5570488417344066
Energy: 1.5563020899447801
Energy: 1.7784982472562805
Energy: 1.5570488417365904
Energy: 1.5563020899425966
Energy: 1.7784982472562805
Energy: 1.5771458964867786
Energy: 1.724951735928307
Energy: 1.7655313841343523
Energy: 1.5771470852619762
Energy: 1.724952019692278
Energy: 1.76553138413872
Energy: 1.5771458964889622
Energy: 1.7249523376924523
Energy: 1.7655313841409037
Energy: 1.5771470852641598
Energy: 1.590380305077226
Energy: 1.5667631790698935
Energy: 1.6526166199103156
Energy: 1.590380305077226
Energy: 1.5667631790698935
Energy: 1.6526166199103156
Energy: 1.5903803050750422
Energy: 1.5667631790720773
Energy: 1.6526166199103156
Energy: 1.590380305077226
Energy: 1.647804740536276
Energy: 1.538995030258182
Energy: 1.7138686651732693
Energy: 1.647804740534092
Energy: 1.5389944643476092
Energy: 1.7138686651710857
Energy: 1.647804740534092
Energy: 1.538995030253815
Energy: 1.713868665175453
Energy: 1.647804740534092
Energy: 1.8875746274223355
Energy: 1.539272948445338
Energy: 1.7119531887953237
Energy: 1.8875746274201521
Energy: 1.5392729484431544
Energy: 1.7119531887975075
Energy: 1.8875746274179683
Energy: 1.5392729484431544
Energy: 1.7119531887975075
Energy: 1.8875746274179683
Energy: 1.538448526949399
Energy: 1.542535503140945
Energy: 1.9770991804239504
Energy: 1.5384485269472152
Energy: 1.542535503143129
Energy: 1.9770991804261338
Energy: 1.5384485269472152
Energy: 1.542535503140945
Energy: 1.9770991804283178
Energy: 1.5384485269472152
Energy: 1.6553332282235644
Energy: 1.820364229676817
Energy: 1.5552956978156298
Energy: 1.6553332282213806
Energy: 1.8203642296790008
Energy: 1.5552961930143892
Energy: 1.6553332282213806
Energy: 1.8203642296811844
Energy: 1.5552956978112622
Energy: 1.6553332282213806
Energy: 1.557708430666924
Energy: 1.7816922752255782
Energy: 1.7181399207159034
Energy: 1.5577084306647404
Energy: 1.7816922752277622
Energy: 1.7181399207159034
Energy: 1.5577084306647404
Energy: 1.7816922752277622
Energy: 1.718139920702801
Energy: 1.5577084306691078
Energy: 1.5575463884165464
Energy: 1.7408788597282985
Energy: 1.7614322684729682
Energy: 1.5575463884165464
Energy: 1.7408788597282985
Energy: 1.7614322684707844
Energy: 1.5575463884165464
Energy: 1.7408788597282985
Energy: 1.7614322684751518
Energy: 1.5575463884165464
Energy: 1.8043321668600132
Energy: 1.6263672244512244
Energy: 1.5442399312976627
Energy: 1.8043321668600132
Energy: 1.6263672244512244
Energy: 1.5442399312976627
Energy: 1.804332166862197
Energy: 1.6263672244512244
Energy: 1.5442399312954789
Energy: 1.8043321668600132
Energy: 1.5647256982642668
Energy: 1.712505008808931
Energy: 1.7167802525972617
Energy: 1.5647256982664504
Energy: 1.7125050088132985
Energy: 1.7167802525994453
Energy: 1.564725698262083
Energy: 1.7125050088067473
Energy: 1.7167802525950777
Energy: 1.5647256982642668
Energy: 1.6931001643398007
Energy: 1.5546656616404948
Energy: 1.61817827337916
Energy: 1.6931001643441679
Energy: 1.5546656616426784
Energy: 1.6181782733769763
Energy: 1.6931001643419843
Energy: 1.5546656616426784
Energy: 1.6181782733769763
Energy: 1.6931001643398007
Energy: 1.627408278557793
Energy: 1.5781748075948445
Energy: 1.722786180395196
Energy: 1.627408278557793
Energy: 1.5781748075970283
Energy: 1.7227861803930122
Energy: 1.6274082785599768
Energy: 1.578174807599212
Energy: 1.7227861803930122
Energy: 1.627408278557793
Energy: 1.733566942790769
Energy: 1.9924506510181692
Energy: 1.5382302692709353
Energy: 1.7335669427885854
Energy: 1.9924506510181692
Energy: 1.5382302692731191
Energy: 1.7335669427885854
Energy: 1.9924506510181692
Energy: 1.5382302692731191
Energy: 1.7335669427864016
Energy: 1.561019601480668
Energy: 1.563267665244185
Energy: 1.6174402085625155
Energy: 1.560903298758418
Energy: 1.5632474373642022
Energy: 1.6174402085603319
Energy: 1.5610196014784843
Energy: 1.563267665244185
Energy: 1.6174402085603319
Energy: 1.5609032987606017
Energy: 1.541463614959075
Energy: 1.5888128953643301
Energy: 1.5650519519313004
Energy: 1.541463614959075
Energy: 1.5888128953665137
Energy: 1.5650519519313004
Energy: 1.5414636149547076
Energy: 1.5888128953665137
Energy: 1.565051951933484
Energy: 1.541463614959075
Energy: 1.7245743943366474
Energy: 1.5797524324257652
Energy: 1.5793942139565975
Energy: 1.7245743943366474
Energy: 1.5797524324235817
Energy: 1.5793942139609647
Energy: 1.7245743943388312
Energy: 1.5797524324257652
Energy: 1.5793942139609647
Energy: 1.7245743943344638
Energy: 1.577391542668128
Energy: 1.7609408686093062
Energy: 1.6511427082813694
Energy: 1.577386886558651
Energy: 1.76094086861149
Energy: 1.6511427082813694
Energy: 1.5773915426659444
Energy: 1.7609408686093062
Energy: 1.6511427082813694
Energy: 1.5773868865564673
Energy: 1.630507161218987
Energy: 1.5701134594177146
Energy: 1.6504985436757411
Energy: 1.630507161218987
Energy: 1.5701134594177146
Energy: 1.6504985436757411
Energy: 1.630507161218987
Energy: 1.5701134594155308
Energy: 1.6504985436735573
Energy: 1.6305071612168034
Energy: 1.7116442015638016
Energy: 1.7702617221631067
Energy: 1.713804407659821
Energy: 1.7116442015681692
Energy: 1.7702617221674743
Energy: 1.713804407659821
Energy: 1.7116442015659856
Energy: 1.7702617221652905
Energy: 1.7138044076620045
Energy: 1.711644201561618
Energy: 1.8254723049526769
Energy: 1.539448183971395
Energy: 1.727753491457853
Energy: 1.8983953523988408
Energy: 1.5394485913282292
Energy: 1.7277534914600365
Energy: 1.8254723049766581
Energy: 1.5394481839735785
Energy: 1.7277534914556691
Energy: 1.898395352396657
Energy: 1.7263936596515888
Energy: 1.5379466608726424
Energy: 1.7179260743141882
Energy: 1.7263936596537723
Energy: 1.5379466608726424
Energy: 1.7179260743185558
Energy: 1.7263936596559561
Energy: 1.5379466608704588
Energy: 1.7179260743163722
Energy: 1.7263936596537723
Energy: 1.8218385337909497
Energy: 1.71505151016249
Energy: 1.5531701354647027
Energy: 1.8218385337909497
Energy: 1.7150515101603063
Energy: 1.5531871448702783
Energy: 1.8218385337887661
Energy: 1.7150515101646737
Energy: 1.5531701354668466
Energy: 1.8218385337909497
Energy: 1.5624245584011245
Energy: 1.7808107756418423
Energy: 1.703951601072795
Energy: 1.5624245584011245
Energy: 1.7808107756375147
Energy: 1.7039516010706113
Energy: 1.562424558398941
Energy: 1.7808107756418423
Energy: 1.703951601072795
Energy: 1.5624245584011245
Energy: 1.5778831925477936
Energy: 1.6894574093070647
Energy: 1.6744368940850993
Energy: 1.556687783481849
Energy: 1.6894574093048809
Energy: 1.6744368940850993
Energy: 1.5778831925477936
Energy: 1.6894574092917785
Energy: 1.6744368940850993
Energy: 1.5566877834796655
Energy: 1.576874469549648
Energy: 1.775301796773046
Energy: 1.6952589096274204
Energy: 1.5571506247742124
Energy: 1.775301796773046
Energy: 1.6840471073169136
Energy: 1.576874469549648
Energy: 1.775301796773046
Energy: 1.6952589096274204
Energy: 1.5571506247720288
Energy: 1.5691811395311583
Energy: 1.8490151390376415
Energy: 1.755655484448587
Energy: 1.5691811395289748
Energy: 1.8490151390376415
Energy: 1.7556554844507706
Energy: 1.5691811395289748
Energy: 1.8490151390420089
Energy: 1.755655484448587
Energy: 1.5691811395311583
Energy: 1.8308942583483794
Energy: 1.5537576179156678
Energy: 1.6193088883120006
Energy: 1.8308942583461958
Energy: 1.5537576179156678
Energy: 1.6193088883010822
Energy: 1.8308942583418284
Energy: 1.5537576179200352
Energy: 1.6193088883010822
Energy: 1.8308942583461958
Energy: 1.737791090934014
Energy: 1.7016747631457787
Energy: 1.544248717443801
Energy: 1.737791090934014
Energy: 1.7016747631435951
Energy: 1.5440355170524067
Energy: 1.737791090934014
Energy: 1.7016747631457787
Energy: 1.5442487174459847
Energy: 1.7377910909318304
Energy: 1.9010768953452273
Energy: 1.7155157134350418
Energy: 1.5388331164580555
Energy: 1.9010768953452273
Energy: 1.7155157134328578
Energy: 1.5388331164558717
Energy: 1.9010768953452273
Energy: 1.7155157134350418
Energy: 1.5388331164580555
Energy: 1.9010768953452273
Energy: 1.6928031489384303
Energy: 1.6930935428417413
Energy: 1.7422636313553739
Energy: 1.692803148934063
Energy: 1.6930935428417413
Energy: 1.7422636313553739
Energy: 1.692803148934063
Energy: 1.693093542843925
Energy: 1.74226363135319
Energy: 1.6928031489362467
Energy: 1.8479774670711464
Energy: 1.8308346318190079
Energy: 1.5657822565567088
Energy: 1.8479774670711464
Energy: 1.8308346318190079
Energy: 1.5657822565588924
Energy: 1.8479774670755138
Energy: 1.8308346318211917
Energy: 1.5657822565610762
Energy: 1.84797746707333
Energy: 1.579359940210236
Energy: 1.7310246051178149
Energy: 1.590367532216206
Energy: 1.5793599402080525
Energy: 1.7310246051156313
Energy: 1.5903675322140225
Energy: 1.5793599402080525
Energy: 1.7310246051156313
Energy: 1.5903675322118387
Energy: 1.579359940210236
Energy: 1.7115550572502305
Energy: 1.5596152198863127
Energy: 1.5591658361433025
Energy: 1.7115550572524143
Energy: 1.5596152198863127
Energy: 1.5591658361433025
Energy: 1.7115550572524143
Energy: 1.559615219884129
Energy: 1.559165836145486
Energy: 1.7115550572502305
Energy: 1.7818229968992632
Energy: 1.5635229117295695
Energy: 1.8613387260397825
Energy: 1.7818229968992632
Energy: 1.563522911731753
Energy: 1.8613387260397825
Energy: 1.7818229968992632
Energy: 1.5635229117361205
Energy: 1.8613387260419658
Energy: 1.781822996901447
Energy: 1.5634154343357862
Energy: 1.9738541978445736
Energy: 1.5615633974521304
Energy: 1.56341543433797
Energy: 1.9738541978467574
Energy: 1.5615633974521304
Energy: 1.56341543433797
Energy: 1.9738541978445736
Energy: 1.5615633974543142
Energy: 1.5634154343357862
Energy: 1.6175200975173252
Energy: 1.538992320458757
Energy: 1.8294668530866147
Energy: 1.6175200975151416
Energy: 1.5389928135708104
Energy: 1.8294668530887983
Energy: 1.617520097512958
Energy: 1.5389923204609406
Energy: 1.8294668530844311
Energy: 1.6175200975151416
Energy: 1.5609318133876713
Energy: 1.5479973616048968
Energy: 1.711808728056496
Energy: 1.560931813232708
Energy: 1.5479973616070806
Energy: 1.7118087280586796
Energy: 1.5609318136474128
Energy: 1.5479973616048968
Energy: 1.7118087280608634
Energy: 1.5609318135644719
Energy: 1.673422367679957
Energy: 1.625401837090955
Energy: 1.5551182373354984
Energy: 1.6734223676777733
Energy: 1.625401837090955
Energy: 1.555118236392536
Energy: 1.673422367673406
Energy: 1.6254018370931387
Energy: 1.5551182373354984
Energy: 1.673422367679957
Energy: 1.565466704789875
Energy: 1.6955675374872579
Energy: 1.6918290839793362
Energy: 1.565466704789875
Energy: 1.6955675374872579
Energy: 1.6918290839793362
Energy: 1.5654667047876913
Energy: 1.6955675374850738
Energy: 1.6918290839837038
Energy: 1.5654667047855075
Energy: 1.5573338498581029
Energy: 1.6904078596660055
Energy: 1.769590217019494
Energy: 1.5573338498602864
Energy: 1.6904078596616379
Energy: 1.769590217019494
Energy: 1.5573338498624703
Energy: 1.6904078596616379
Energy: 1.769590217019494
Energy: 1.5573338498602864

minimum gb energy = 1.537347455263004 eV
minimum distance =  2.21883015750682 Angstroms
sigma value = 437


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

Energy: 1.5310703609024179
Energy: 1.5296715322216086
Energy: 1.529475891454064
Energy: 1.5310703609024179
Energy: 1.5296715322232
Energy: 1.5294758914524726
Energy: 1.5310703609024179
Energy: 1.5296715322216086
Energy: 1.529475891454064
Energy: 1.5310703609024179
Energy: 1.6875184655543614
Energy: 1.5010588586637854
Energy: 1.718902490716177
Energy: 1.687518465542428
Energy: 1.5010588586653766
Energy: 1.7189024907153814
Energy: 1.687518465549588
Energy: 1.5010588586629898
Energy: 1.718902490716177
Energy: 1.6875184655392457
Energy: 1.6601259050868389
Energy: 1.4858311170112115
Energy: 1.8559240885480937
Energy: 1.6601259050868389
Energy: 1.485831117010416
Energy: 1.855921531382293
Energy: 1.6601259050868389
Energy: 1.4858311170112115
Energy: 1.8559062472689862
Energy: 1.6601259050868389
Energy: 1.6185693634576725
Energy: 1.762820622436019
Energy: 1.6243997518341005
Energy: 1.6185693634560814
Energy: 1.7628206224376097
Energy: 1.624399751842056
Energy: 1.6185693634576725
Energy: 1.7628206224368144
Energy: 1.6243997518269404
Energy: 1.618569363456877
Energy: 1.6810085351929238
Energy: 1.5356398985341058
Energy: 1.8719353380250492
Energy: 1.6810085351929238
Energy: 1.5356398985333106
Energy: 1.8719353379948183
Energy: 1.6810085351937194
Energy: 1.5356398985349013
Energy: 1.8719353381522672
Energy: 1.6810085351929238
Energy: 1.7006705174765442
Energy: 1.724440175807785
Energy: 1.501661115778446
Energy: 1.7006705174765442
Energy: 1.7244401758085803
Energy: 1.501661115780037
Energy: 1.7006705174765442
Energy: 1.7244401758085803
Energy: 1.5016611157792417
Energy: 1.7006705174765442
Energy: 1.6228307372950266
Energy: 1.5613965083472297
Energy: 1.4857939135416942
Energy: 1.6228307372974133
Energy: 1.561396508348025
Energy: 1.485793913540103
Energy: 1.6228307372958222
Energy: 1.6227582499222115
Energy: 1.4857939135408988
Energy: 1.6228307372958222
Energy: 1.617197548627578
Energy: 1.7760168735650084
Energy: 1.6168348890399673
Energy: 1.6171975486267824
Energy: 1.7760168735642128
Energy: 1.6168348890399673
Energy: 1.6171975486267824
Energy: 1.7760168735642128
Energy: 1.6168348890399673
Energy: 1.617197548627578
Energy: 1.8989944936722911
Energy: 1.7185891136548477
Energy: 1.5339517817876582
Energy: 1.8989944936714955
Energy: 1.7185891136532567
Energy: 1.5339517817860675
Energy: 1.8989944936714955
Energy: 1.7185891136548477
Energy: 1.533951781786863
Energy: 1.8989944936707
Energy: 1.6190916665011539
Energy: 1.681433123477248
Energy: 1.7318743781604269
Energy: 1.6190916665019497
Energy: 1.6814331234780435
Energy: 1.731874378158836
Energy: 1.6190916665011539
Energy: 1.681433123477248
Energy: 1.731874378158836
Energy: 1.6190916665019497
Energy: 1.6069375831708317
Energy: 1.6073494304713494
Energy: 1.765577354255473
Energy: 1.6069375831724229
Energy: 1.607349430472145
Energy: 1.7655773542562687
Energy: 1.606937583170036
Energy: 1.6073494304729403
Energy: 1.7655773542546773
Energy: 1.6069375831716273
Energy: 1.6809667011391367
Energy: 1.5068807461451053
Energy: 1.6875646146675547
Energy: 1.6809667011415232
Energy: 1.5068807461443097
Energy: 1.6875646146659637
Energy: 1.6809667011343632
Energy: 1.5068807461451053
Energy: 1.6875646146675547
Energy: 1.6809667011335676
Energy: 1.4988432834847958
Energy: 1.6290254417359946
Energy: 1.499123267978129
Energy: 1.4988432834847958
Energy: 1.6290254417344037
Energy: 1.4991232679773334
Energy: 1.4988432834855914
Energy: 1.6290254417359946
Energy: 1.499123267978129
Energy: 1.4988432834847958
Energy: 1.5223842110700427
Energy: 1.5889908758362492
Energy: 1.6202024082708124
Energy: 1.5223842110708383
Energy: 1.5889908758362492
Energy: 1.6202024082708124
Energy: 1.5223842110700427
Energy: 1.5889908758362492
Energy: 1.6202024082716078
Energy: 1.5223842110684518

minimum gb energy = 1.485793913540103 eV
minimum distance =  2.22418405513326 Angstroms
sigma value = 33