Model name: model_name=Sim_LAMMPS_ADP_MishinMehlPapaconstantopoulos_2005_Ni__SM_477692857359_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=3.519999980926514
cohesive_energy=4.450349977697172
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: 0.020538125516928688
Energy: 0.5170927326137436
Energy: 0.517092732615268
Energy: 0.020538125518453278
Energy: 0.517092732615268
Energy: 0.517092732615268
Energy: 0.020538125516928688
Energy: 0.517092732615268
Energy: 0.517092732615268
Energy: 0.020538125516928688
Energy: 0.5145669027567197
Energy: 0.02465684219917014
Energy: 0.5148814274547773
Energy: 0.5145669027567197
Energy: 0.024656842197645554
Energy: 0.5148814274563018
Energy: 0.5145669027567197
Energy: 0.024656842197645554
Energy: 0.5148814274563018
Energy: 0.5145669027567197
Energy: 1.2506634854527572
Energy: 0.29899305049877656
Energy: 0.29899305049877656
Energy: 1.250663485458821
Energy: 0.29899305049877656
Energy: 0.29899305049877656
Energy: 1.2506634856752432
Energy: 0.29899305049877656
Energy: 0.7201273639652023
Energy: 1.2506634854557717
Energy: 0.5145669027567197
Energy: 0.5148814274563018
Energy: 0.02465684219917014
Energy: 0.5145669027567197
Energy: 0.5148814274563018
Energy: 0.02465684219917014
Energy: 0.5145669027567197
Energy: 0.5148814274563018
Energy: 0.024656842197645554
Energy: 0.5145669027567197
Energy: 0.020538125516928688
Energy: 0.517092732615268
Energy: 0.517092732615268
Energy: 0.020538125518453278
Energy: 0.517092732615268
Energy: 0.517092732615268
Energy: 0.020538125516928688
Energy: 0.517092732615268
Energy: 0.517092732615268
Energy: 0.020538125516928688
Energy: 0.5145669027567197
Energy: 0.024656842197645554
Energy: 0.5148814274547773
Energy: 0.5145669027567197
Energy: 0.02465684219917014
Energy: 0.5148814274547773
Energy: 0.5145669027567197
Energy: 0.02465684219917014
Energy: 0.5148814274547773
Energy: 0.5145669027567197
Energy: 1.2506634855411138
Energy: 0.8942327427610957
Energy: 0.29899305049877656
Energy: 1.2506634854527572
Energy: 0.9969132866376482
Energy: 0.29899305049877656
Energy: 1.250663485495411
Energy: 0.29899305049877656
Energy: 0.8678578458125227
Energy: 1.250663485458821

minimum gb energy = 0.020538125516928688 eV
minimum distance =  2.20820108145376 Angstroms
sigma value = 3


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

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Energy: 1.5659334163147594
Energy: 1.5658701401364636
Energy: 1.2166458567159557
Energy: 1.5659334163147594
Energy: 1.565870140128995
Energy: 1.331811645081835
Energy: 1.5659334163147594
Energy: 1.565870140128995
Energy: 1.2166458567159557
Energy: 1.2785416043445852
Energy: 1.2663410536520532
Energy: 1.499028519207628
Energy: 1.2785416043445852
Energy: 1.2663410536520532
Energy: 1.499028519207628
Energy: 1.2785416043483195
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Energy: 1.499028519207628
Energy: 1.2785416043483195
Energy: 1.409023567141943
Energy: 1.5519072234081932
Energy: 1.7044720698314229
Energy: 1.3731168318598062
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Energy: 1.409023567141943
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Energy: 1.7044720698276883
Energy: 1.3731168318598062
Energy: 1.5768086151953926
Energy: 1.6530542669868291
Energy: 1.1414581351195856
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Energy: 1.6530542669868291
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Energy: 1.0788428562831183
Energy: 1.4735157245084782
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Energy: 1.5743326421706842
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Energy: 1.56870091800698
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Energy: 1.5007540281792093
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Energy: 1.2774153558807748
Energy: 1.5129133297060082
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Energy: 1.2774153558770402
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Energy: 1.266641749571731
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Energy: 1.266641749571731
Energy: 1.1462656223987977
Energy: 1.5823349742422539
Energy: 1.0787376762536875
Energy: 1.490996272526465
Energy: 1.4745747603122419
Energy: 1.0787376762574221
Energy: 1.479348005125822
Energy: 1.473749970457455
Energy: 1.0787376762574221
Energy: 1.490996272526465
Energy: 1.4745747603122419
Energy: 1.0787376762574221
Energy: 1.5698571895080873
Energy: 1.1414301507209583
Energy: 1.5663175893624732
Energy: 1.5698571895080873
Energy: 1.1414301507172238
Energy: 1.5663175893662074
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Energy: 1.1414301507172238
Energy: 1.5663175893662074
Energy: 1.569857189504353
Energy: 1.4910727856691253
Energy: 1.5999494467903397
Energy: 1.373757240807904
Energy: 1.4910727856691253
Energy: 1.5999494467903397
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Energy: 1.4910727856691253
Energy: 1.5999494467903397
Energy: 1.373757240807904
Energy: 1.4910727856691253
Energy: 1.273807503641246
Energy: 1.5365569142663107
Energy: 1.2669939469776408
Energy: 1.2738075036449805
Energy: 1.5365569142625763
Energy: 1.2670075425645047
Energy: 1.2738075036449805
Energy: 1.5365569142663107
Energy: 1.2669939469776408
Energy: 1.2738075036449805
Energy: 1.2978894630308582
Energy: 1.5659334163147594
Energy: 1.5658701401327293
Energy: 1.2214363484458568
Energy: 1.5659334163147594
Energy: 1.5658701401475992
Energy: 1.2978894630308582
Energy: 1.5659334163147594
Energy: 1.565870140128995
Energy: 1.2214363484458568
Energy: 1.2785416043483195
Energy: 1.2663410536483188
Energy: 1.499028519207628
Energy: 1.2785416043445852
Energy: 1.2663410536483188
Energy: 1.499028519207628
Energy: 1.2785416043483195
Energy: 1.2663410536483188
Energy: 1.499028519207628
Energy: 1.2785416043483195
Energy: 1.4095082354212622
Energy: 1.5519072234081932
Energy: 1.7044720698314229
Energy: 1.3779374733850844
Energy: 1.5519072234044586
Energy: 1.7044720698276883
Energy: 1.4095082354212622
Energy: 1.5519072234081932
Energy: 1.7044720698276883
Energy: 1.3779374733850844
Energy: 1.5768086151953926
Energy: 1.6530542669905635
Energy: 1.1414581351195856
Energy: 1.5768086151953926
Energy: 1.6530542669868291
Energy: 1.1414581351195856
Energy: 1.5768086151953926
Energy: 1.6530542669868291
Energy: 1.1414581351195856
Energy: 1.5768086151953926

minimum gb energy = 1.0787376762536875 eV
minimum distance =  2.17329480153409 Angstroms
sigma value = 75


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

Energy: 1.4569985564951229
Energy: 1.2514865963456945
Energy: 1.2515454148820138
Energy: 1.3194523181319613
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minimum gb energy = 1.251160881367568 eV
minimum distance =  2.16435918885145 Angstroms
sigma value = 105


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

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Energy: 1.5094824055893359
Energy: 1.4785698779965133
Energy: 1.3998807862090983
Energy: 1.5195623211021823
Energy: 1.4632486329907697
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Energy: 1.5325646590393716
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Energy: 1.4908213364720033
Energy: 1.5021532518738419
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Energy: 1.5263182609992947
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Energy: 1.4639707250944571
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Energy: 1.4279082442101436
Energy: 1.6548951230508033
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Energy: 1.5162325710924727
Energy: 1.4942865452856067
Energy: 1.4633235899430332
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Energy: 1.4942865452856067
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Energy: 1.516232571090417
Energy: 1.5329032646485652
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Energy: 1.5342311285050398
Energy: 1.5721884555375636
Energy: 1.5699231706292138
Energy: 1.5221706067547813
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Energy: 1.4969023456344794
Energy: 1.3969701164360493
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Energy: 1.3969701164360493
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Energy: 1.455829780050669
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Energy: 1.4656236302912513
Energy: 1.455829780050669
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Energy: 1.4656236302933072
Energy: 1.455829780052725
Energy: 1.411900659625133
Energy: 1.5291264414548895
Energy: 1.5290857744507518
Energy: 1.411900659625133
Energy: 1.5291264414548895
Energy: 1.5290857744507518
Energy: 1.411900659625133
Energy: 1.5291264414548895
Energy: 1.5290857744507518
Energy: 1.411900659625133
Energy: 1.4575429776719446
Energy: 1.465917886687156
Energy: 1.4551789262180563
Energy: 1.457542977674
Energy: 1.4658903183563157
Energy: 1.4551789262201122
Energy: 1.457542977674
Energy: 1.465917886687156
Energy: 1.4551789262180563
Energy: 1.4575429776719446
Energy: 1.514329666993707
Energy: 1.4662084065533627
Energy: 1.616475929236695
Energy: 1.5143296669957624
Energy: 1.4662022399834007
Energy: 1.616475929236695
Energy: 1.514329666991651
Energy: 1.4662084065533627
Energy: 1.616475929236695
Energy: 1.514329666993707
Energy: 1.4897530665639938
Energy: 1.489916826063137
Energy: 1.4251082956913077
Energy: 1.4897530665639938
Energy: 1.489916826063137
Energy: 1.4251082956913077
Energy: 1.4897530665639938
Energy: 1.489916826063137
Energy: 1.4251082956913077
Energy: 1.4897530665639938
Energy: 1.456570876667095
Energy: 1.5394388630047586
Energy: 1.4401139409867145
Energy: 1.456570876667095
Energy: 1.5352991165274692
Energy: 1.4401139409867145
Energy: 1.456570876669151
Energy: 1.5394388630068143
Energy: 1.4401139409887704
Energy: 1.456570876669151
Energy: 1.5287933448632947
Energy: 1.475412312015132
Energy: 1.5275537478504657
Energy: 1.5287933448632947
Energy: 1.4634270121463309
Energy: 1.5275537478504657
Energy: 1.5287933448632947
Energy: 1.475412312015132
Energy: 1.5275537478504657
Energy: 1.5287933448632947
Energy: 1.541684456417451
Energy: 1.3987859043265283
Energy: 1.5325261583111323
Energy: 1.541684456417451
Energy: 1.3988680358496985
Energy: 1.5325261583111323
Energy: 1.5416844564195065
Energy: 1.3987859043265283
Energy: 1.5325261583131882
Energy: 1.5416844564195065

minimum gb energy = 1.3748297437983155 eV
minimum distance =  2.1448915346248 Angstroms
sigma value = 165


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

Energy: 1.3917573727217125
Energy: 1.417271358510222
Energy: 1.4174428686259488
Energy: 1.3382708689883651
Energy: 1.417271358510222
Energy: 1.4174428686259488
Energy: 1.3917573727210066
Energy: 1.417271358510222
Energy: 1.4174428686259488
Energy: 1.3382708689883651
Energy: 1.413419537845953
Energy: 1.334307727887476
Energy: 1.543020999610634
Energy: 1.4134195378473646
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Energy: 1.413419537845953
Energy: 1.33430772788677
Energy: 1.5430209996120456
Energy: 1.4134195378452472
Energy: 1.3894970466510106
Energy: 1.3747000770670559
Energy: 1.334233053971959
Energy: 1.3894970466503052
Energy: 1.3747000770684672
Energy: 1.3338369884469532
Energy: 1.3894970466503052
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Energy: 1.3894970466503052
Energy: 1.41092142780658
Energy: 1.3358610746658717
Energy: 1.3530734075146613
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Energy: 1.3358610746665773
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Energy: 1.3344745395000888
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Energy: 1.3344745395000888
Energy: 1.3343517166431287
Energy: 1.500005605572429
Energy: 1.414320417411189
Energy: 1.6087198073382762
Energy: 1.4122959690569883
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Energy: 1.6087198073389821
Energy: 1.41242523650297
Energy: 1.4143204174104833
Energy: 1.6087198073389821
Energy: 1.4122959690569883
Energy: 1.414320417411189
Energy: 1.41634626451823
Energy: 1.5627027286274455
Energy: 1.6391798030562528
Energy: 1.363640829255305
Energy: 1.5627027286274455
Energy: 1.6391798030562528
Energy: 1.416346264516819
Energy: 1.5627027286267399
Energy: 1.6391798030569587
Energy: 1.3636408292560107
Energy: 1.46204743771976
Energy: 1.3832433081033475
Energy: 1.5226986468148735
Energy: 1.3848849858062573
Energy: 1.3832433081033475
Energy: 1.4336046114277983
Energy: 1.4620474377204662
Energy: 1.3832433081019362
Energy: 1.5226986468155792
Energy: 1.3848849858055516
Energy: 1.5629826414456374
Energy: 1.3531782821007043
Energy: 1.3513213599178928
Energy: 1.5629826414456374
Energy: 1.3531782821007043
Energy: 1.3513213599157756
Energy: 1.5629826414456374
Energy: 1.3531782821007043
Energy: 1.351321359917187
Energy: 1.5629826414449317
Energy: 1.440797068764092
Energy: 1.3569778626108695
Energy: 1.488193107321124
Energy: 1.440797068766851
Energy: 1.3569778626108695
Energy: 1.4881931073161836
Energy: 1.440797068761269
Energy: 1.3569778626115756
Energy: 1.4881931073394734
Energy: 1.4407970687626805
Energy: 1.496556506775559
Energy: 1.4970701632398493
Energy: 1.3345670397055502
Energy: 1.4965565067748532
Energy: 1.4970701632405552
Energy: 1.3345670397069618
Energy: 1.4965565067748532
Energy: 1.4970701632398493
Energy: 1.3345670397069618
Energy: 1.496556506775559
Energy: 1.3382708689883651
Energy: 1.417271358510222
Energy: 1.417442868630183
Energy: 1.3382708689883651
Energy: 1.417271358510222
Energy: 1.417442868628772
Energy: 1.3382708689883651
Energy: 1.417271358510222
Energy: 1.4174428686259488
Energy: 1.3382708689883651

minimum gb energy = 1.3338369884469532 eV
minimum distance =  2.26806782989416 Angstroms
sigma value = 41


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

Energy: 1.3672744181720853
Energy: 1.2845984140384261
Energy: 1.2846307547186322
Energy: 1.3672744181720853
Energy: 1.2845984140384261
Energy: 1.2846307547186322
Energy: 1.3672744181720853
Energy: 1.2845984140384261
Energy: 1.2846307547186322
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Energy: 1.2929369766829315
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Energy: 1.3167485584721803
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Energy: 1.2443789635680773
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Energy: 1.205142002763084
Energy: 1.2009751714675472
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Energy: 1.2051420027576074
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Energy: 1.2360422398167814
Energy: 1.4427889565244554
Energy: 1.1926229876934917
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Energy: 1.291271980749975
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Energy: 1.37159859511872
Energy: 1.3381000775596208
Energy: 1.2906291129098302
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Energy: 1.3381000775541443
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Energy: 1.37159859511872
Energy: 1.2983833619601424
Energy: 1.173591183696149
Energy: 1.2675752394033455
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Energy: 1.173591183696149
Energy: 1.2675752394033455
Energy: 1.2983833619628806
Energy: 1.173591183696149
Energy: 1.2675752394033455
Energy: 1.2983833619601424
Energy: 1.2658954570490628
Energy: 1.1805917660270915
Energy: 1.170170069795324
Energy: 1.2658954570490628
Energy: 1.1805917660188767
Energy: 1.1701700697816326
Energy: 1.2658954570463246
Energy: 1.1805917660216152
Energy: 1.1701700697871094
Energy: 1.2658954570490628
Energy: 1.292946528435325
Energy: 1.3418389373464055
Energy: 1.1817736293623624
Energy: 1.2929465284380632
Energy: 1.3418389373464055
Energy: 1.1817736293623624
Energy: 1.292946528435325
Energy: 1.3418389373464055
Energy: 1.1817736293623624
Energy: 1.2929465284380632
Energy: 1.1965177992243639
Energy: 1.4463868385231708
Energy: 1.236080918249927
Energy: 1.1965177992216256
Energy: 1.4463868385231708
Energy: 1.2360809182471888
Energy: 1.1965177992243639
Energy: 1.4463868385231708
Energy: 1.236080918249927
Energy: 1.196517799227102
Energy: 1.2086521442185985
Energy: 1.2027846280871253
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Energy: 1.2086521442185985
Energy: 1.2027846280816488
Energy: 1.2048082859813463
Energy: 1.2086521442185985
Energy: 1.2027846280816488
Energy: 1.2048082859840845
Energy: 1.2086521442185985
Energy: 1.1709810300459338
Energy: 1.4078273889813329
Energy: 1.2630937736531986
Energy: 1.170981030048672
Energy: 1.4078273889813329
Energy: 1.2630937736504606
Energy: 1.1709810300349808
Energy: 1.4078273889813329
Energy: 1.2630937736504606
Energy: 1.1709810300322427
Energy: 1.2676494609710276
Energy: 1.1702780952764238
Energy: 1.247192510786088
Energy: 1.2676494609710276
Energy: 1.170278095279162
Energy: 1.2471925107806114
Energy: 1.2676494609737656
Energy: 1.170278095279162
Energy: 1.247192510786088
Energy: 1.2676494609737656
Energy: 1.2873474627670436
Energy: 1.2852276771059812
Energy: 1.3678745599805067
Energy: 1.2873474627670436
Energy: 1.2852276771059812
Energy: 1.3678745599805067
Energy: 1.2873474627670436
Energy: 1.2852276771059812
Energy: 1.3678745599805067
Energy: 1.2873474627670436
Energy: 1.1703302319417803
Energy: 1.4432982154802225
Energy: 1.2311566025871923
Energy: 1.170330231936304
Energy: 1.4432982154856993
Energy: 1.2311566025899305
Energy: 1.170330231939042
Energy: 1.4432982154802225
Energy: 1.2311566025899305
Energy: 1.1703302319335656
Energy: 1.1957341520058922
Energy: 1.195054975869205
Energy: 1.1960292764649603
Energy: 1.1957341520086304
Energy: 1.1950549758719433
Energy: 1.1960292764594835
Energy: 1.1957341520058922
Energy: 1.1950549758746816
Energy: 1.1960292764594835
Energy: 1.1957341520086304
Energy: 1.2358367769430607
Energy: 1.1937835566364938
Energy: 1.205235691139261
Energy: 1.235836776945799
Energy: 1.1937835566364938
Energy: 1.2052356911337847
Energy: 1.235836776945799
Energy: 1.1937835566364938
Energy: 1.205235691139261
Energy: 1.235836776948537
Energy: 1.4427030210557379
Energy: 1.1907693992044621
Energy: 1.2455831205636791
Energy: 1.4427030210557379
Energy: 1.1907693992044621
Energy: 1.2455831205636791
Energy: 1.4427030210584761
Energy: 1.1907693992017239
Energy: 1.2455831205664174
Energy: 1.4427030210584761
Energy: 1.3478112563985372
Energy: 1.2855939604026996
Energy: 1.1728793394451675
Energy: 1.3478112564012752
Energy: 1.2855939604026996
Energy: 1.1728793394451675
Energy: 1.3478112564012752
Energy: 1.2855939604026996
Energy: 1.1728793394451675
Energy: 1.3478112563985372

minimum gb energy = 1.1694946165766025 eV
minimum distance =  2.25157119996132 Angstroms
sigma value = 185


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

Energy: 0.688761379062944
Energy: 0.6944912050160588
Energy: 0.6946859047365741
Energy: 0.530751345887912
Energy: 0.6944912050164133
Energy: 0.6946859047365741
Energy: 0.6887613790625894
Energy: 0.6944912050157632
Energy: 0.6946859047365741
Energy: 0.530751345887912
Energy: 0.6655405491636444
Energy: 0.6830584747980487
Energy: 0.7745001704539132
Energy: 0.5889936721638708
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Energy: 0.6855268259262506
Energy: 0.6655405491636444
Energy: 0.6830584747973987
Energy: 0.7745001704549178
Energy: 0.5889936721648754
Energy: 0.6371290267332719
Energy: 0.7197629701930306
Energy: 0.5653513521330534
Energy: 0.5303196999317887
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Energy: 0.6441137267427149
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Energy: 0.5653513521337037
Energy: 0.5303196999311387
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Energy: 0.6941649358046525
Energy: 0.5775323143473484
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Energy: 0.6217958166406915
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Energy: 0.7164939591703938
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Energy: 0.7408113503063992
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Energy: 0.741351806254031
Energy: 0.5338646390708954
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Energy: 0.5303320456281875
Energy: 0.5582503011128035
Energy: 0.7195127682602717
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Energy: 0.5582503011141037
Energy: 0.7195127682605672
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Energy: 0.5881127072560902
Energy: 0.6890413333455383
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Energy: 0.5881127072557357
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Energy: 0.6826302294001148
Energy: 0.5881127072550856
Energy: 0.689041333346543
Energy: 0.6826302294007648
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Energy: 0.530751345887912
Energy: 0.6944912050164133
Energy: 0.6946859047362786
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Energy: 0.6944912050160588
Energy: 0.6946859047372241
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Energy: 0.6944912050157632
Energy: 0.6946859047365741
Energy: 0.530751345887912
Energy: 0.5889936721655255
Energy: 0.6830584747977533
Energy: 0.7745001704549178
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Energy: 0.5889936721645208
Energy: 0.6830584747973987
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Energy: 0.5889936721651708
Energy: 0.5303196999317887
Energy: 0.719762970193326
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Energy: 0.5303196999321433
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Energy: 0.719762970193326
Energy: 0.5653513521337037
Energy: 0.5303196999308432
Energy: 0.7277448557199427
Energy: 0.6941649358053027
Energy: 0.5775323143469938
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Energy: 0.6941649358056573
Energy: 0.5775323143476438
Energy: 0.7277448557195882
Energy: 0.6941649358056573
Energy: 0.5775323143469938
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Energy: 0.6944732345454819
Energy: 0.7164939591710439
Energy: 0.5338043206021491
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Energy: 0.7164939591700982
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Energy: 0.7164939591700982
Energy: 0.5338043206024446
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Energy: 0.7408113503053945
Energy: 0.7272058398781874
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Energy: 0.5776101910886506
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Energy: 0.7272058398781874
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Energy: 0.6953683595543336
Energy: 0.5773096382509705
Energy: 0.7127247978636674
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Energy: 0.7127247978633718
Energy: 0.6953683595559884
Energy: 0.5773096382499657
Energy: 0.7127247978636674
Energy: 0.6953683595549838
Energy: 0.7413518062530263
Energy: 0.5982807655447658
Energy: 0.7162189848164414
Energy: 0.7413518062527308
Energy: 0.5338646390712499
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Energy: 0.7413518062533808
Energy: 0.598280765546066
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Energy: 0.741351806254681
Energy: 0.6782031741930208
Energy: 0.6485190353942327
Energy: 0.6941622505568422
Energy: 0.723248739891018
Energy: 0.6041295517853624
Energy: 0.6941622505568422
Energy: 0.6782031741940254
Energy: 0.6485190353948828
Energy: 0.6941622505568422
Energy: 0.7232487398900134
Energy: 0.6370755710491873
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Energy: 0.5303320456288375
Energy: 0.5582503011144582
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Energy: 0.6890413333461884
Energy: 0.6826302294011194
Energy: 0.5881127072554403
Energy: 0.6890413333461884
Energy: 0.6826302294011194
Energy: 0.6655741816674235
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Energy: 0.6826302294004692
Energy: 0.5881127072557357
Energy: 0.688761379062944
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Energy: 0.6946859047365741
Energy: 0.530751345887912
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Energy: 0.6887613790625894
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Energy: 0.6655405491623442
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Energy: 0.5653513521337037
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Energy: 0.5775323143463437
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Energy: 0.6217958166416963
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Energy: 0.6941649358056573
Energy: 0.5775323143476438
Energy: 0.7277448557195882
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Energy: 0.7164939591710439
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Energy: 0.7164939591703938
Energy: 0.5979738279046637
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Energy: 0.7164939591697437
Energy: 0.5338043206017946
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Energy: 0.7408113503063992
Energy: 0.7272058398781874
Energy: 0.5776101910876459
Energy: 0.7408113503060446
Energy: 0.7272058398784829
Energy: 0.5776101910880005
Energy: 0.7408113503066948
Energy: 0.7272058398784829
Energy: 0.5776101910876459
Energy: 0.7408113503063992
Energy: 0.6953683595540382
Energy: 0.5773096382509705
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Energy: 0.6953683595549838
Energy: 0.5773096382506158
Energy: 0.7127247978633718
Energy: 0.6953683595553384
Energy: 0.5773096382506158
Energy: 0.7127247978643174
Energy: 0.6953683595546882
Energy: 0.7413518062523762
Energy: 0.5338646390712499
Energy: 0.7162189848157914
Energy: 0.7413518062520807
Energy: 0.5338646390708954
Energy: 0.7162189848160869
Energy: 0.7413518062523762
Energy: 0.5338646390708954
Energy: 0.7162189848160869
Energy: 0.7413518062527308
Energy: 0.7232487398897179
Energy: 0.6041295517850077
Energy: 0.6941622505565467
Energy: 0.723248739890368
Energy: 0.6041295517856579
Energy: 0.6941622505568422
Energy: 0.723248739890368
Energy: 0.6041295517850077
Energy: 0.6941622505574923
Energy: 0.7232487398897179
Energy: 0.5303320456288375
Energy: 0.5582503011134535
Energy: 0.7195127682602717
Energy: 0.5303320456288375
Energy: 0.5582503011144582
Energy: 0.7195127682605672
Energy: 0.5303320456288375
Energy: 0.5582503011138081
Energy: 0.7195127682609217
Energy: 0.5303320456284828
Energy: 0.5881127072554403
Energy: 0.6890413333458928
Energy: 0.6826302294017694
Energy: 0.5881127072554403
Energy: 0.689041333346543
Energy: 0.6826302293998191
Energy: 0.5881127072554403
Energy: 0.6890413333461884
Energy: 0.6826302294004692
Energy: 0.5881127072557357

minimum gb energy = 0.5303196999308432 eV
minimum distance =  2.33435116050267 Angstroms
sigma value = 33


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

Energy: 1.149834751036578
Energy: 1.2126803347207138
Energy: 1.2120129297534517
Energy: 1.0981518788269558
Energy: 1.2126803347207138
Energy: 1.2120129297534517
Energy: 1.1498347510347937
Energy: 1.2126803347207138
Energy: 1.2120129297534517
Energy: 1.0981518788269558
Energy: 1.1924509657894393
Energy: 1.1201277657100954
Energy: 1.1616179696942162
Energy: 1.1924509657894393
Energy: 1.1201277657100954
Energy: 1.1616179696942162
Energy: 1.1924509657912234
Energy: 1.1201277657100954
Energy: 1.1616179696942162
Energy: 1.1924509657912234
Energy: 1.1765913273499473
Energy: 1.0974483768315408
Energy: 1.1405879835765151
Energy: 1.1765913273517317
Energy: 1.0974483768315408
Energy: 1.1405879835765151
Energy: 1.1765913273499473
Energy: 1.0974483768315408
Energy: 1.09421362695155
Energy: 1.1765913273499473
Energy: 1.3092822374134065
Energy: 1.0961727437806403
Energy: 1.240721382390756
Energy: 1.3092822374134065
Energy: 1.0961727437806403
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Energy: 1.3092822374134065
Energy: 1.0961727437806403
Energy: 1.2407213823889716
Energy: 1.3092822374134065
Energy: 1.247151902752061
Energy: 1.153653889433504
Energy: 1.0984765992010639
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Energy: 1.0984765991992795
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Energy: 1.153653889433504
Energy: 1.0984765991992795
Energy: 1.247151902752061
Energy: 1.1827143088424108
Energy: 1.2180088218400797
Energy: 1.1952944904114249
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Energy: 1.218008821841864
Energy: 1.1952944904131768
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Energy: 1.1753093979442517
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Energy: 1.1991069069607383
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Energy: 1.199106906958954
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Energy: 1.1991069069607383
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Energy: 1.179363288195361
Energy: 1.122125358599713
Energy: 1.2313182418093573
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Energy: 1.122125358599713
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Energy: 1.2105921813685305
Energy: 1.1549006771911607
Energy: 1.2108601321070642
Energy: 1.1193666671756763
Energy: 1.2237845079687508
Energy: 1.1861674169145218
Energy: 1.1193666671756763
Energy: 1.22264454801871
Energy: 1.2093652937272539
Energy: 1.1193666671756763
Energy: 1.2237845079669665
Energy: 1.1861674169145218
Energy: 1.1193666671756763
Energy: 1.096310111158519
Energy: 1.1554827757418533
Energy: 1.1796172874072826
Energy: 1.096310111158519
Energy: 1.1552918598425985
Energy: 1.1797178403066901
Energy: 1.096310111158519
Energy: 1.1554827757418533
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Energy: 1.096310111158519
Energy: 1.0973307452988026
Energy: 1.1840586323003381
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Energy: 1.0973307452988026
Energy: 1.1753786527474577
Energy: 1.15816453755502
Energy: 1.0973307452988026
Energy: 1.1840586323021225
Energy: 1.15816453755502
Energy: 1.0973307452988026
Energy: 1.2134449982111546
Energy: 1.1207001491087192
Energy: 1.2106737419981608
Energy: 1.2134449982093702
Energy: 1.0946859004024023
Energy: 1.2106737419963765
Energy: 1.2134449982111546
Energy: 1.1207001491069346
Energy: 1.2106737419981608
Energy: 1.2134449982111546
Energy: 1.160615562871286
Energy: 1.1894252468304025
Energy: 1.1123624658537852
Energy: 1.160615562871286
Energy: 1.1894252468304025
Energy: 1.1123624658537852
Energy: 1.160615562871286
Energy: 1.1894252468304025
Energy: 1.1123624658537852
Energy: 1.1606155628730377
Energy: 1.1769716301278585
Energy: 1.272845893851874
Energy: 1.1005622147458645
Energy: 1.1769716301278585
Energy: 1.272845893851874
Energy: 1.1005622147440801
Energy: 1.1769716301278585
Energy: 1.272845893851874
Energy: 1.1005622147458645
Energy: 1.1769716301278585
Energy: 1.2574042251942026
Energy: 1.2293079275703063
Energy: 1.096547216607835
Energy: 1.2574042251942026
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Energy: 1.2031801612392803
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Energy: 1.1424773101131709
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Energy: 1.2187742074556631
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Energy: 1.2602392740623087
Energy: 1.0966923779066562
Energy: 1.1442279997361913
Energy: 1.2602392740623087
Energy: 1.0966923779066562

minimum gb energy = 1.0489870275005815 eV
minimum distance =  2.1928420314178 Angstroms
sigma value = 219


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

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Energy: 1.5437558442026191
Energy: 1.5436675482310813
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Energy: 1.5091993842074993
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Energy: 1.2918979537491027
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Energy: 1.5051378353230922
Energy: 1.432557590885608
Energy: 1.4156550067185787
Energy: 1.5051378353230922
Energy: 1.4325575908844272

minimum gb energy = 1.2917184536439994 eV
minimum distance =  2.24210471413196 Angstroms
sigma value = 15


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

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Energy: 1.5046358349871372
Energy: 1.5131718565099637
Energy: 1.6789761741494131
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minimum gb energy = 1.4835724537256878 eV
minimum distance =  2.16797761485607 Angstroms
sigma value = 293


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

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Energy: 1.5002396730711627
Energy: 1.5362935914022817
Energy: 1.5019652411124897
Energy: 1.5002396730684953
Energy: 1.5362935914022817
Energy: 1.501965241109822
Energy: 1.5002396730684953
Energy: 1.5362935914022817
Energy: 1.501965241120492
Energy: 1.5904563825355733
Energy: 1.5968008738891661
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Energy: 1.5967802447262076
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Energy: 1.5364222014988096
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Energy: 1.6966065432384752
Energy: 1.5209605018076424
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Energy: 1.5479550275705052
Energy: 1.6966065432384752
Energy: 1.6536628259483621
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Energy: 1.6185041416513049
Energy: 1.6536628259483621
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Energy: 1.6536628259483621
Energy: 1.638239118231601
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Energy: 1.6536628259483621
Energy: 1.522589086952175
Energy: 1.5216259172452136
Energy: 1.619981109142584
Energy: 1.522589086952175
Energy: 1.5216259172585507
Energy: 1.6199811091346303
Energy: 1.5225890869495076
Energy: 1.5216259172505484
Energy: 1.6199811091399166
Energy: 1.522589086952175
Energy: 1.6395540718517336
Energy: 1.5145590068779216
Energy: 1.5145822418990245
Energy: 1.6395540718517336
Energy: 1.5145590068779216
Energy: 1.5145822418990245
Energy: 1.6395540718517336
Energy: 1.514559006880589
Energy: 1.5145822418963568
Energy: 1.6395540718517336
Energy: 1.5226041508833734
Energy: 1.6199928969157655
Energy: 1.5215848816825188
Energy: 1.5226041508833734
Energy: 1.619992896918433
Energy: 1.5215848816878537
Energy: 1.5226041508833734
Energy: 1.6199928969211006
Energy: 1.5215848816851862
Energy: 1.5226041508833734
Energy: 1.6537807694359306
Energy: 1.6186243808702423
Energy: 1.6382354190906907
Energy: 1.6537807694359306
Energy: 1.6186243808702423
Energy: 1.638235419088023
Energy: 1.6537807694332631
Energy: 1.6186243808702423
Energy: 1.638235419088023
Energy: 1.6537807694332631
Energy: 1.696587100934384
Energy: 1.5479681954578388
Energy: 1.5209729894765136
Energy: 1.696587100934384
Energy: 1.5479681954578388
Energy: 1.5209729894765136
Energy: 1.6965871009370517
Energy: 1.5479681954578388
Energy: 1.5209729894738462
Energy: 1.6965871009370517
Energy: 1.5789262792049588
Energy: 1.7783621319268246
Energy: 1.508111068419522
Energy: 1.5789262792076262
Energy: 1.7783621319268246
Energy: 1.508111068419522
Energy: 1.5789262792049588
Energy: 1.7783621319268246
Energy: 1.5081110684275245
Energy: 1.5789262792049588

minimum gb energy = 1.5002396730684953 eV
minimum distance =  2.17382195308166 Angstroms
sigma value = 293


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

Energy: 1.498417390321357
Energy: 1.4996055847228926
Energy: 1.4996241910268198
Energy: 1.4984173903208748
Energy: 1.4996055847233747
Energy: 1.4996241910268198
Energy: 1.498417390321357
Energy: 1.4996055847233747
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Energy: 1.498417390321357
Energy: 1.4972730409974313
Energy: 1.4985702304369362
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Energy: 1.4985702304369362
Energy: 1.4995931087114065
Energy: 1.4972730409974313
Energy: 1.49655597516717
Energy: 1.497001248485443
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Energy: 1.497001248485443
Energy: 1.4492744516258254
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Energy: 1.497001248485443
Energy: 1.4492744516195577
Energy: 1.496555975167652
Energy: 1.4493841816952415
Energy: 1.4970112561588136
Energy: 1.49654798067496
Energy: 1.4493841816807778
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Energy: 1.4493841817082587
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Energy: 1.4996055847228926
Energy: 1.4985702304369362
Energy: 1.4995931087123708
Energy: 1.4972730409974313
Energy: 1.4985702304369362
Energy: 1.4995931087118888
Energy: 1.4972730409969492
Energy: 1.498570230436454
Energy: 1.4995931087109247
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Energy: 1.498570230436454
Energy: 1.497001248485443
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Energy: 1.49655597516717
Energy: 1.497001248485443
Energy: 1.449274451636432
Energy: 1.496555975167652
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Energy: 1.497001248485443
Energy: 1.4970112561588136
Energy: 1.49654798067496
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Energy: 1.4970112561592959
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Energy: 1.4970112561592959
Energy: 1.496547980674478
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Energy: 1.49855908924361
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Energy: 1.4972491009907205
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Energy: 1.4985590892440923
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Energy: 1.4985590892440923
Energy: 1.4996241910268198
Energy: 1.498417390321357
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Energy: 1.4996241910273018
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Energy: 1.4996055847233747
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Energy: 1.4985702304369362
Energy: 1.4995931087109247
Energy: 1.4972730409974313
Energy: 1.4985702304369362
Energy: 1.4995931087118888
Energy: 1.4972730409974313
Energy: 1.4985702304369362
Energy: 1.499593108708996
Energy: 1.4492744516455922
Energy: 1.496555975167652
Energy: 1.497001248485443
Energy: 1.449274451657163
Energy: 1.49655597516717
Energy: 1.497001248485443
Energy: 1.4492744516402887
Energy: 1.49655597516717
Energy: 1.497001248485443
Energy: 1.4492744516460743
Energy: 1.496547980674478
Energy: 1.4493841816591266
Energy: 1.4970112561592959
Energy: 1.496547980674478
Energy: 1.4493841816793314
Energy: 1.4970112561592959
Energy: 1.496547980675442
Energy: 1.4493841816865634
Energy: 1.4970112561592959
Energy: 1.496547980674478
Energy: 1.4972491009907205
Energy: 1.4996066572522657
Energy: 1.49855908924361
Energy: 1.4972491009907205
Energy: 1.4996066572522657
Energy: 1.4985590892440923
Energy: 1.4972491009902382
Energy: 1.4996066572517834
Energy: 1.4985590892440923
Energy: 1.4972491009907205
Energy: 1.498417390321357
Energy: 1.4996055847228926
Energy: 1.4996241910268198
Energy: 1.4984173903208748
Energy: 1.4996055847228926
Energy: 1.4996241910263377
Energy: 1.498417390321357
Energy: 1.4996055847224108
Energy: 1.4996241910268198
Energy: 1.498417390321357
Energy: 1.4972730409974313
Energy: 1.498570230436454
Energy: 1.4995931087109247
Energy: 1.4972730409974313
Energy: 1.4985702304369362
Energy: 1.4995931087118888
Energy: 1.4972730409974313
Energy: 1.498570230436454
Energy: 1.4995931087099603
Energy: 1.4972730409974313
Energy: 1.496555975166688
Energy: 1.497001248485443
Energy: 1.449274451649931
Energy: 1.49655597516717
Energy: 1.4970012484849606
Energy: 1.449274451661502
Energy: 1.49655597516717
Energy: 1.497001248485443
Energy: 1.4492744516547524
Energy: 1.49655597516717
Energy: 1.4493841816673225
Energy: 1.4970112561588136
Energy: 1.496547980674478
Energy: 1.4493841816422524
Energy: 1.4970112561588136
Energy: 1.4965479806739959
Energy: 1.4493841816383957
Energy: 1.4970112561592959
Energy: 1.496547980674478
Energy: 1.4493841816668405
Energy: 1.4996066572517834
Energy: 1.49855908924361
Energy: 1.4972491009912026
Energy: 1.4996066572522657
Energy: 1.4985590892440923
Energy: 1.4972491009907205
Energy: 1.4996066572517834
Energy: 1.4985590892440923
Energy: 1.4972491009907205
Energy: 1.4996066572517834
Energy: 1.4996055847233747
Energy: 1.4996241910268198
Energy: 1.4984173903208748
Energy: 1.4996055847233747
Energy: 1.4996241910268198
Energy: 1.498417390321357
Energy: 1.4996055847233747
Energy: 1.4996241910268198
Energy: 1.498417390321357
Energy: 1.4996055847233747
Energy: 1.498570230436454
Energy: 1.4995931087085141
Energy: 1.4972730409979134
Energy: 1.4985702304369362
Energy: 1.4995931087109247
Energy: 1.4972730409979134
Energy: 1.4985702304369362
Energy: 1.4995931087118888
Energy: 1.4972730409974313
Energy: 1.498570230436454

minimum gb energy = 1.4492744516195577 eV
minimum distance =  2.25793302439377 Angstroms
sigma value = 15


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

Energy: 1.5308577999211803
Energy: 1.546450800587006
Energy: 1.5734941610791455
Energy: 1.5105732512161303
Energy: 1.5464508005891915
Energy: 1.5734941610791455
Energy: 1.5308577999211803
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Energy: 1.5734941610791455
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Energy: 1.4850867588227212
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Energy: 1.4461710926199869
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Energy: 1.6672522466644901
Energy: 1.6365002039524803
Energy: 1.6723289747963386
Energy: 1.6672522466644901
Energy: 1.6365002039524803
Energy: 1.6723289747985237
Energy: 1.6672522466644901
Energy: 1.6365002039524803
Energy: 1.6723289747963386
Energy: 1.6672522466644901
Energy: 1.6097158832406786
Energy: 1.4550516514304725
Energy: 1.5482556891176757
Energy: 1.6102398416840136
Energy: 1.455087896409851
Energy: 1.5482556891176757
Energy: 1.609715883242864
Energy: 1.4550516514304725
Energy: 1.5482556891154904
Energy: 1.6102398416840136
Energy: 1.5553510331141924
Energy: 1.454162953771062
Energy: 1.6162086412126946
Energy: 1.5553510331141924
Energy: 1.4541629537732477
Energy: 1.6162086412126946
Energy: 1.5553510331163778
Energy: 1.4541629537732477
Energy: 1.6162086412126946
Energy: 1.5553510331141924
Energy: 1.5928632860869292
Energy: 1.657651260986756
Energy: 1.4776785127377465
Energy: 1.592863286089115
Energy: 1.657651260986756
Energy: 1.4776756283581927
Energy: 1.5928632860869292
Energy: 1.6576512609889413
Energy: 1.4776785127355607
Energy: 1.5928632860869292
Energy: 1.4468335733065745
Energy: 1.64081372292639
Energy: 1.6165824034186256
Energy: 1.4468335733065745
Energy: 1.64081372292639
Energy: 1.6165824034186256
Energy: 1.4468335733065745
Energy: 1.64081372292639
Energy: 1.6165824034186256
Energy: 1.4468335733065745
Energy: 1.5294940711954905
Energy: 1.6060258868489283
Energy: 1.5762128528641814
Energy: 1.5093892854095257
Energy: 1.6060258868489283
Energy: 1.5762128528641814
Energy: 1.5294940711976759
Energy: 1.606025886851114
Energy: 1.5762128528619959
Energy: 1.5093892854095257
Energy: 1.529603986840344
Energy: 1.6384376757257577
Energy: 1.5972884150148772
Energy: 1.5097246072739177
Energy: 1.638437675727943
Energy: 1.5944502734238166
Energy: 1.5296039868381586
Energy: 1.638437675727943
Energy: 1.5972884150148772
Energy: 1.509724607271732
Energy: 1.4527793844019132
Energy: 1.7920079376867104
Energy: 1.6564826323118178
Energy: 1.4527793843997276
Energy: 1.7920079376888958
Energy: 1.6564826323118178
Energy: 1.4527793844019132
Energy: 1.7920079376888958
Energy: 1.6564826323118178
Energy: 1.4527793844019132
Energy: 1.4559224544531886
Energy: 1.4778907712020466
Energy: 1.6398269891000514
Energy: 1.455922454451003
Energy: 1.4778907712020466
Energy: 1.6398269891022368
Energy: 1.4559224544531886
Energy: 1.4778907712020466
Energy: 1.6398269891022368
Energy: 1.4559224544531886
Energy: 1.6108538183157624
Energy: 1.6075104691258149
Energy: 1.4526408793483745
Energy: 1.6108538183157624
Energy: 1.6075104691236295
Energy: 1.4526793581666244
Energy: 1.6108538183157624
Energy: 1.6075104691258149
Energy: 1.4526408793483745
Energy: 1.6108538183157624
Energy: 1.6813466657812028
Energy: 1.5818623286272249
Energy: 1.457066139740315
Energy: 1.6813466657812028
Energy: 1.5818623286272249
Energy: 1.457066139740315
Energy: 1.6813466657812028
Energy: 1.5818623286272249
Energy: 1.457066139740315
Energy: 1.6813466657812028
Energy: 1.6089434805872669
Energy: 1.609511695103359
Energy: 1.5739891513361546
Energy: 1.6089434805872669
Energy: 1.609511695103359
Energy: 1.5739891513361546
Energy: 1.6089434805872669
Energy: 1.609511695103359
Energy: 1.5739891513361546
Energy: 1.6089434805872669
Energy: 1.6696327207435593
Energy: 1.5806560755966261
Energy: 1.447737717715972
Energy: 1.6696327207391883
Energy: 1.5806560755966261
Energy: 1.4477377177181574
Energy: 1.6696327207435593
Energy: 1.5806560755988115
Energy: 1.447737717715972
Energy: 1.6696327207435593
Energy: 1.4926219543855315
Energy: 1.6243994517293685
Energy: 1.540465841520664
Energy: 1.4926219543877173
Energy: 1.6243994517293685
Energy: 1.540465841520664
Energy: 1.4926219543855315
Energy: 1.6243994517293685
Energy: 1.540465841520664
Energy: 1.4926219543855315
Energy: 1.6181587080741917
Energy: 1.4929174077997271
Energy: 1.4934192609687462
Energy: 1.6181587080741917
Energy: 1.492953117992874
Energy: 1.4935145252426392
Energy: 1.6181587080741917
Energy: 1.4929174077975418
Energy: 1.4934192609687462
Energy: 1.6181587080741917
Energy: 1.7695268130901538
Energy: 1.4478869552688878
Energy: 1.5834557917010679
Energy: 1.7695268130901538
Energy: 1.4478869552688878
Energy: 1.5834557917032535
Energy: 1.7695268130901538
Energy: 1.4478869552688878
Energy: 1.5834557917032535
Energy: 1.7695268130901538
Energy: 1.5200075469116807
Energy: 1.8877561134114127
Energy: 1.5134615513315102
Energy: 1.5200075469116807
Energy: 1.8877561134114127
Energy: 1.5134615513293248
Energy: 1.5200075469116807
Energy: 1.8877561134114127
Energy: 1.5134615513315102
Energy: 1.5200075469116807
Energy: 1.5979584805050513
Energy: 1.4555226858276948
Energy: 1.6987144623259665
Energy: 1.5979584805050513
Energy: 1.4555239003957345
Energy: 1.6987144623259665
Energy: 1.597958480502866
Energy: 1.4555226858276948
Energy: 1.6987144623259665
Energy: 1.5979584805050513
Energy: 1.513991694997576
Energy: 1.4695734729515104
Energy: 1.6187649097238979
Energy: 1.513991694997576
Energy: 1.4695734729515104
Energy: 1.6187649097238979
Energy: 1.513991694997576
Energy: 1.4695734729515104
Energy: 1.6187649097260832
Energy: 1.5139916949997616
Energy: 1.4683646855174628
Energy: 1.5488619263121204
Energy: 1.4790913264513996
Energy: 1.4683646854650123
Energy: 1.5488619263143062
Energy: 1.4790934645541955
Energy: 1.4683646855720585
Energy: 1.5488619263143062
Energy: 1.4790913264513996
Energy: 1.4683646855261647
Energy: 1.447137995187498
Energy: 1.556012016442578
Energy: 1.6113978728115521
Energy: 1.4471379951853125
Energy: 1.556012016442578
Energy: 1.6113978728137375
Energy: 1.447137995187498
Energy: 1.556012016442578
Energy: 1.6113978728115521
Energy: 1.447137995187498
Energy: 1.4703099203242849
Energy: 1.6079596803014395
Energy: 1.663787700808735
Energy: 1.4703099203242849
Energy: 1.6079596803014395
Energy: 1.6637877008108808
Energy: 1.4703099203242849
Energy: 1.6079596803014395
Energy: 1.6637877008108808
Energy: 1.4703099203242849

minimum gb energy = 1.4461710926199869 eV
minimum distance =  2.18647754028608 Angstroms
sigma value = 437


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

Energy: 1.4230331565991319
Energy: 1.4200234378919043
Energy: 1.4200388345908594
Energy: 1.4230331565991319
Energy: 1.4200234378927006
Energy: 1.4200388345916557
Energy: 1.4230331565991319
Energy: 1.4200234378934968
Energy: 1.4200388345916557
Energy: 1.423033156599928
Energy: 1.5473989225484717
Energy: 1.3847154981531073
Energy: 1.5854748901493392
Energy: 1.547398922550064
Energy: 1.3847154981531073
Energy: 1.5854748901493392
Energy: 1.547398922550064
Energy: 1.3847154981523115
Energy: 1.5854748901493392
Energy: 1.5473989225516562
Energy: 1.5195910367969352
Energy: 1.3685585766660768
Energy: 1.7028442240374118
Energy: 1.5195910367969352
Energy: 1.3685585766644843
Energy: 1.702844224038208
Energy: 1.5195910367969352
Energy: 1.3685585766652808
Energy: 1.7028442240374118
Energy: 1.5195910367969352
Energy: 1.5333474630549366
Energy: 1.629325971287586
Energy: 1.5091947373627688
Energy: 1.5333474630565291
Energy: 1.629325971287586
Energy: 1.5091947373627688
Energy: 1.5333474630557329
Energy: 1.6293259712867896
Energy: 1.5091947373627688
Energy: 1.5333474630557329
Energy: 1.5134267084509094
Energy: 1.4079466381683523
Energy: 1.6685413756557868
Energy: 1.5134267084485207
Energy: 1.4079466381675565
Energy: 1.6685413756557868
Energy: 1.513426708450113
Energy: 1.4079466381683523
Energy: 1.6685413756549905
Energy: 1.5134267084469282
Energy: 1.4932610895782983
Energy: 1.579513990020618
Energy: 1.385418457581272
Energy: 1.4932610895782983
Energy: 1.5795139900198216
Energy: 1.385418457582068
Energy: 1.4932610895775023
Energy: 1.579513990020618
Energy: 1.385418457582068
Energy: 1.4932610895782983
Energy: 1.5972310484700671
Energy: 1.4382040114572117
Energy: 1.3684514099694334
Energy: 1.5972310484700671
Energy: 1.4382040114572117
Energy: 1.3684514099686371
Energy: 1.5972310484700671
Energy: 1.4382040114572117
Energy: 1.3684514099686371
Energy: 1.5972310484700671
Energy: 1.5052237972543028
Energy: 1.5946162848469896
Energy: 1.5002859703759095
Energy: 1.505223797255099
Energy: 1.5946162848469896
Energy: 1.5002859703759095
Energy: 1.5052237972543028
Energy: 1.5946162848477856
Energy: 1.5002859703759095
Energy: 1.5052237972543028
Energy: 1.8049363962369531
Energy: 1.47466024802351
Energy: 1.4081598580840844
Energy: 1.8049363962353606
Energy: 1.4746602480243058
Energy: 1.4081598580840844
Energy: 1.8049363962353606
Energy: 1.4746602480219175
Energy: 1.4081598580848806
Energy: 1.8049363962361569
Energy: 1.5093072911273115
Energy: 1.56446837442314
Energy: 1.5288835839135204
Energy: 1.5093072911273115
Energy: 1.5644683744239363
Energy: 1.528883583907151
Energy: 1.5093072911273115
Energy: 1.564468374422344
Energy: 1.5288835839095396
Energy: 1.5093072911273115
Energy: 1.4890734519405986
Energy: 1.3822219412002854
Energy: 1.5891844247579607
Energy: 1.4890734519413948
Energy: 1.3822219412002854
Energy: 1.5891844247579607
Energy: 1.4890734519413948
Energy: 1.4535154741281466
Energy: 1.5325531813096596
Energy: 1.4890734519405986
Energy: 1.5641114099040585
Energy: 1.3854788169332215
Energy: 1.5615459977918287
Energy: 1.5641114099032625
Energy: 1.3854788169324253
Energy: 1.561545997794217
Energy: 1.5641114099032625
Energy: 1.3854788169324253
Energy: 1.5615459977918287
Energy: 1.5641114099040585
Energy: 1.3860664094622634
Energy: 1.520153377807424
Energy: 1.386250950807426
Energy: 1.3860664094622634
Energy: 1.52015367586184
Energy: 1.386250950807426
Energy: 1.3860664094630597
Energy: 1.5201525888943817
Energy: 1.38625095080663
Energy: 1.3860664094622634
Energy: 1.407142577789407
Energy: 1.4292300339057527
Energy: 1.5009491985094188
Energy: 1.407142577789407
Energy: 1.4292300339049564
Energy: 1.5009491985094188
Energy: 1.407142577789407
Energy: 1.4292300339057527
Energy: 1.5009491985094188
Energy: 1.4071425777886106

minimum gb energy = 1.3684514099686371 eV
minimum distance =  2.18812536423835 Angstroms
sigma value = 33