Model name: model_name=MEAM_LAMMPS_WangOhLee_2020_CuMo__MO_486450342170_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1465589627623562
cohesive_energy=6.810535640529527
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.021303041263446856
Energy: 0.3697456505148935
Energy: 0.02130304126314643
Energy: 0.36974565051523145
Energy: 0.021303041263446856
Energy: 0.36974565051421754
Energy: 0.021303041263446856
Energy: 0.023132856408508033
Energy: 0.7354358170324305
Energy: 0.023132856409183986
Energy: 0.735435817032731
Energy: 0.023132856408508033
Energy: 0.7354358170330689
Energy: 0.023132856409183986
Energy: 1.8999688601542455
Energy: 0.697712835238809
Energy: 2.3152753056062187
Energy: 0.6977128352384709
Energy: 0.021624664081127933
Energy: 0.6977128352384709
Energy: 0.021624664081127933
Energy: 0.023132856408846013
Energy: 0.7354358170317546
Energy: 0.023132856408846013
Energy: 0.7354358170324305
Energy: 0.023132856408846013
Energy: 0.7354358170324305
Energy: 0.023132856408846013
Energy: 0.02130304126314643
Energy: 0.3697456505148935
Energy: 0.02130304126314643
Energy: 0.3697456505155319
Energy: 0.021303041263446856
Energy: 0.3697456505145555
Energy: 0.02130304126314643
Energy: 0.023132856409183986
Energy: 0.7354358170324305
Energy: 0.023132856408846013
Energy: 0.735435817032731
Energy: 0.023132856408846013
Energy: 0.735435817032731
Energy: 0.023132856408846013

minimum gb energy = 0.02130304126314643 eV
minimum distance =  2.71888025278934 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.133287379835738
Energy: 2.1188629442450355
Energy: 2.133287379835738
Energy: 2.118862944236961
Energy: 2.133287379835738
Energy: 2.1188629442409983
Energy: 2.133287379835738
Energy: 2.0638708006548026
Energy: 2.0502354944630063
Energy: 2.0638708006548026
Energy: 2.0502354944630063
Energy: 2.0638708006548026
Energy: 2.0502354944630063
Energy: 2.0638708006548026
Energy: 1.899349780031241
Energy: 1.9774998051833934
Energy: 1.8993497800352783
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Energy: 1.899349780031241
Energy: 1.9774998051833934
Energy: 1.8993497800352783
Energy: 1.930068459963319
Energy: 2.0355552877086307
Energy: 1.930068459963319
Energy: 2.0355552877086307
Energy: 1.930068459963319
Energy: 2.0355552877086307
Energy: 1.930068459963319
Energy: 1.9156130406641703
Energy: 2.0414661696750533
Energy: 1.9156130406641703
Energy: 2.0414661696750533
Energy: 1.9156130406641703
Energy: 2.0414661696790906
Energy: 1.9156130406682075
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Energy: 2.0660411493910007
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Energy: 2.0781355924117006
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Energy: 2.015324199618203
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Energy: 2.015324199618203
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Energy: 2.015324199618203
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Energy: 2.043408615400984
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Energy: 1.9700239492296552
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Energy: 1.9700239492336924
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Energy: 2.021542173208573
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Energy: 1.9955802661361386
Energy: 1.8990915255842962
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Energy: 1.9955802661361386
Energy: 1.8990915255842962
Energy: 2.084959905403283
Energy: 2.091368380161474
Energy: 2.084959905403283
Energy: 2.0913683801574363
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Energy: 1.92015782333282
Energy: 2.0127923685067226
Energy: 1.92015782333282
Energy: 2.0127923685067226
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Energy: 2.027584165755435
Energy: 1.9685651882097668
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Energy: 1.9685651882057293
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Energy: 1.9685651882097668
Energy: 2.027584165755435
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Energy: 1.9815690177277236
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Energy: 1.981569017731761
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Energy: 1.9815690177277236
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Energy: 1.9088021655692928
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Energy: 1.9612447332648852
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Energy: 1.9474449105026168
Energy: 1.8925742731394053
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Energy: 1.8925742731434425
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Energy: 1.9610313970601465
Energy: 2.01131690599211
Energy: 1.961031397056109
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Energy: 1.9610313970601465
Energy: 2.01131690599211
Energy: 1.961031397056109
Energy: 1.9639550515382491
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Energy: 2.0316637848677797
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Energy: 2.0145584787944437
Energy: 2.0729886983203696
Energy: 2.0145584787904065
Energy: 2.0729886983244072
Energy: 2.0145584787944437
Energy: 2.0729886983244072
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Energy: 2.1638802271861115
Energy: 2.13479080768546
Energy: 2.1638802271861115
Energy: 2.13479080768546
Energy: 2.1638802271861115
Energy: 2.13479080768546
Energy: 2.1638802271861115
Energy: 1.9047253849238803
Energy: 2.0527994013781057
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Energy: 2.0527994013781057
Energy: 1.9047253849238803
Energy: 2.0527994013781057
Energy: 1.9047253849238803
Energy: 2.1300791069039176
Energy: 2.047196629939601
Energy: 2.1300791069039176
Energy: 2.0471966299436386
Energy: 2.130079106907955
Energy: 2.047196629939601
Energy: 2.1300791069039176
Energy: 1.9022462030169707
Energy: 1.9657458367336142
Energy: 1.9022462030169707
Energy: 1.9657458367295768
Energy: 1.9022462030169707
Energy: 1.9657458367336142
Energy: 1.9022462030169707
Energy: 2.026251890629588
Energy: 2.107483414077457
Energy: 2.0262518906336253
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Energy: 2.0262518906336253
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Energy: 1.965459319534987
Energy: 2.142827719943119
Energy: 1.9654593195309495
Energy: 2.1428277199390817
Energy: 1.965459319534987
Energy: 2.142827719943119
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Energy: 2.058483665168091
Energy: 1.9507596817078314
Energy: 2.058483665168091
Energy: 1.9507596817118686
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Energy: 2.058483665168091
Energy: 1.9225346982325864
Energy: 1.9528762338353922
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Energy: 1.9528762338394294
Energy: 1.9225346982325864
Energy: 1.9528762338353922
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Energy: 1.902979241720826
Energy: 2.057351263190506
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Energy: 2.057351263190506
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Energy: 2.057351263190506
Energy: 1.902979241720826
Energy: 1.938555629499225
Energy: 2.044782641380176
Energy: 1.938555629499225
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Energy: 2.044782641380176
Energy: 1.938555629499225
Energy: 2.021411352812608
Energy: 2.0447345794502474
Energy: 2.021411352812608
Energy: 2.044734579454284
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Energy: 2.0447345794502474
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Energy: 2.160433633848892
Energy: 2.1347905914799004
Energy: 2.160433633848892
Energy: 2.1347905914799004
Energy: 2.160433633848892
Energy: 2.1347905914799004
Energy: 2.160433633848892
Energy: 1.9570454735014173
Energy: 2.046129099065094
Energy: 1.9570454735014173
Energy: 2.046129099065094
Energy: 1.9570454734973806
Energy: 2.046129099065094
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Energy: 1.9722903876260913
Energy: 2.0406296689084527
Energy: 1.9722903876260913
Energy: 2.0406296689084527
Energy: 1.9722903876260913
Energy: 2.0406296689084527
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Energy: 1.905294859954121
Energy: 1.9253652358013678
Energy: 1.905294859954121
Energy: 1.9253652358013678
Energy: 1.905294859954121
Energy: 1.9253652358013678
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Energy: 2.096147417992678
Energy: 1.9987897080514603
Energy: 2.096147417992678
Energy: 1.9987897080514603
Energy: 2.096147417992678
Energy: 1.9987897080514603
Energy: 2.096147417992678
Energy: 1.9953388195524275
Energy: 1.9891727156421606
Energy: 1.995338819556465
Energy: 1.9891727156381231
Energy: 1.9953388195524275
Energy: 1.9891727156381231
Energy: 1.995338819556465
Energy: 2.0854969106193093
Energy: 2.057731336994451
Energy: 2.0854969106193093
Energy: 2.057731336994451
Energy: 2.085496910615272
Energy: 2.057731336994451
Energy: 2.0854969106193093
Energy: 1.933777379421429
Energy: 2.0076155701453766
Energy: 1.933777379421429
Energy: 2.0076155701453766
Energy: 1.933777379421429
Energy: 2.0076155701413394
Energy: 1.933777379421429
Energy: 1.90286763326938
Energy: 2.0254247539597854
Energy: 1.90286763326938
Energy: 2.0254247539597854
Energy: 1.90286763326938
Energy: 2.0254247539597854
Energy: 1.90286763326938
Energy: 1.9166616373713954
Energy: 2.028640263632753
Energy: 1.9166616373713954
Energy: 2.028640263628716
Energy: 1.9166616373713954
Energy: 2.028640263632753
Energy: 1.9166616373713954
Energy: 1.9364138717160932
Energy: 2.0017232146814705
Energy: 1.9364138717120558
Energy: 2.0017232146814705
Energy: 1.9364138717160932
Energy: 2.0017232146814705
Energy: 1.9364138717120558

minimum gb energy = 1.8925742731394053 eV
minimum distance =  2.48239912848491 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 2.132397794952274
Energy: 2.1734915876331744
Energy: 2.1323977949513573
Energy: 2.1734915876331744
Energy: 2.132397794948608
Energy: 2.1734915876340906
Energy: 2.1323977949504407
Energy: 1.9639431006972072
Energy: 1.9923114318650366
Energy: 1.963943100697707
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Energy: 1.9923114318655364
Energy: 1.9639431006967905
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Energy: 1.9593722825344346
Energy: 2.079721875031972
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Energy: 2.079721875030638
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Energy: 2.005429906362983
Energy: 2.063763703236014
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Energy: 2.0609470137728665
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Energy: 2.079721875030638
Energy: 1.9593722825344346
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Energy: 1.9094444432155
Energy: 2.151287537116552
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Energy: 1.9094444432159166
Energy: 2.151287537118885
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Energy: 1.977775891938045
Energy: 2.004911224953052
Energy: 1.9777758919389619
Energy: 2.004911224953052
Energy: 1.9777758919398785
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Energy: 2.017018825572451
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Energy: 2.017018825569201
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Energy: 2.0237740863971583
Energy: 2.0170188255728676
Energy: 2.132397794948608
Energy: 2.173491587633591
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Energy: 2.1734915876345076
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Energy: 1.963943100697707
Energy: 1.9923114318668693
Energy: 1.9639431006990404
Energy: 1.992311431865953
Energy: 1.9639431006972072
Energy: 1.9923114318655364
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Energy: 1.9692150948197666
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Energy: 1.9417741883810096
Energy: 1.9692150948202667
Energy: 1.9417741883791764
Energy: 1.9692150948184333
Energy: 1.9593722825344346
Energy: 2.0797218750315545
Energy: 1.9593722825349347
Energy: 2.079721875031972
Energy: 1.9593722825349347
Energy: 2.0797218750301383
Energy: 1.9593722825367674
Energy: 2.005429906362983
Energy: 2.0637637032373473
Energy: 2.0054299063624836
Energy: 2.0637637032378477
Energy: 2.0054299063648164
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Energy: 2.0054299063634
Energy: 2.0609470137728665
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Energy: 2.0609470137719503
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Energy: 2.0609470137705337
Energy: 2.092864478839253
Energy: 2.0609470137710333
Energy: 2.0364191607239808
Energy: 2.0929031952632013
Energy: 2.0364191607225646
Energy: 2.092903195265035
Energy: 2.0364191607234816
Energy: 2.092903195261369
Energy: 2.0364191607239808
Energy: 1.9838807629981678
Energy: 2.0642502759908683
Energy: 1.9838807629954185
Energy: 2.064250275991785
Energy: 1.9838807629972517
Energy: 2.064250275993118
Energy: 1.9838807629981678
Energy: 1.9916923789455416
Energy: 2.064142537877513
Energy: 1.9916923789460412
Energy: 2.06414253787793
Energy: 1.9916923789469583
Energy: 2.0641425378765965
Energy: 1.9916923789464582
Energy: 1.9582878784610218
Energy: 2.09423089652139
Energy: 1.9582878784596052
Energy: 2.09423089652139
Energy: 1.9582878784605218
Energy: 2.094230896519557
Energy: 1.9582878784628548
Energy: 1.9094444432164166
Energy: 2.1512875371174687
Energy: 1.909444443216833
Energy: 2.1512875371170512
Energy: 1.909444443216833
Energy: 2.151287537118385
Energy: 1.9094444432182496
Energy: 1.9777758919389619
Energy: 2.004911224953468
Energy: 1.977775891938545
Energy: 2.004911224953468
Energy: 1.9777758919389619
Energy: 2.004911224951219
Energy: 1.977775891938545
Energy: 2.017018825571951
Energy: 2.0237740863966587
Energy: 2.0170188255697017
Energy: 2.0237740863966587
Energy: 2.017018825571951
Energy: 2.023774086396242
Energy: 2.017018825572451
Energy: 2.132397794948608
Energy: 2.173491587633591
Energy: 2.1323977949504407
Energy: 2.173491587633591
Energy: 2.132397794950941
Energy: 2.1734915876331744
Energy: 2.1323977949513573
Energy: 1.9639431006962906
Energy: 1.992311431865953
Energy: 1.9639431006962906
Energy: 1.9923114318650366
Energy: 1.9639431006967905
Energy: 1.9923114318650366
Energy: 1.9639431006967905

minimum gb energy = 1.909444443215 eV
minimum distance =  2.51280455932571 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.092294489096398
Energy: 2.1846354604214264
Energy: 1.9971818256967688
Energy: 2.0632979594824437
Energy: 2.092294489096398
Energy: 2.184635460420897
Energy: 1.99718182569624
Energy: 2.054680446172737
Energy: 2.030702059441077
Energy: 2.0602608215992024
Energy: 2.031736059797431
Energy: 2.054680446171149
Energy: 2.0307020594416065
Energy: 2.0602608215997313
Energy: 2.0337921006826365
Energy: 2.076621016893386
Energy: 2.0354956807668576
Energy: 2.0766617428592533
Energy: 2.0337921006821076
Energy: 2.076621016892857
Energy: 2.0354956807663283
Energy: 2.1586237450202317
Energy: 2.1153864780879355
Energy: 2.098073708270992
Energy: 2.1153864780874065
Energy: 2.15862374502129
Energy: 2.115386478086877
Energy: 2.0980737082704635
Energy: 2.1345828108777125
Energy: 2.116009613207688
Energy: 2.134289262871118
Energy: 2.116009613208746
Energy: 2.1345828108777125
Energy: 2.116009613207688
Energy: 2.134289262871118
Energy: 1.9829573222692551
Energy: 2.2287043591752504
Energy: 1.9829573222697843
Energy: 2.2170696425702663
Energy: 1.9829573222692551
Energy: 2.2287043591747215
Energy: 1.9829573222703136
Energy: 1.9530515019100811
Energy: 2.169017692496347
Energy: 1.9530515019111396
Energy: 2.172413893426288
Energy: 1.9530515019106103
Energy: 2.169017692496347
Energy: 1.9530515019111396
Energy: 2.237431359407329
Energy: 2.134460789253132
Energy: 2.2374313594068
Energy: 2.134460789253132
Energy: 2.2374313594078585
Energy: 2.134460789252603
Energy: 2.2374313594078585
Energy: 2.2996048444403883
Energy: 2.122727766674592
Energy: 2.2996048444403883
Energy: 2.122727766673534
Energy: 2.2996048444414465
Energy: 2.1227277666730044
Energy: 2.2996048444414465
Energy: 2.0310926051047007
Energy: 2.1933107540664714
Energy: 2.0310911392556337
Energy: 2.192584319153245
Energy: 2.0310926051041713
Energy: 2.193310754065942
Energy: 2.0310911392556337
Energy: 2.026062365667562
Energy: 2.2021850590402887
Energy: 2.0256203410130236
Energy: 2.206329971272314
Energy: 2.0260623656670322
Energy: 2.2021850590402887
Energy: 2.025620341012494
Energy: 2.164136930739116
Energy: 2.066198108450237
Energy: 2.164136930739116
Energy: 2.066198108450766
Energy: 2.164136930739116
Energy: 2.066198108450766
Energy: 2.1641369307396454
Energy: 2.151570122680675
Energy: 2.0656015945983404
Energy: 2.151570122681204
Energy: 2.0656015945983404
Energy: 2.1515701226817336
Energy: 2.0656015945993986
Energy: 2.151570122681204
Energy: 1.9951985096031593
Energy: 2.0095568854157566
Energy: 1.9951985096036886
Energy: 2.009556885416286
Energy: 1.9951985096031593
Energy: 2.0095568854146983
Energy: 1.9951985096021012
Energy: 2.091240827457106
Energy: 2.1688015009338817
Energy: 2.0912408274581646
Energy: 2.168816941266872
Energy: 2.091240827457106
Energy: 2.1688015009344106
Energy: 2.0912408274560477
Energy: 2.005601401092113
Energy: 2.0745001641475316
Energy: 2.005601401091584
Energy: 2.0745001641475316
Energy: 2.0056014010926417
Energy: 2.0745001641480605
Energy: 2.005601401091584
Energy: 2.0445109650867255
Energy: 2.0265201067111223
Energy: 2.044510965087255
Energy: 2.026146248441745
Energy: 2.0445109650861966
Energy: 2.0265201067105933
Energy: 2.0445109650867255
Energy: 2.052662915588383
Energy: 2.083836606812763
Energy: 2.0523316290457143
Energy: 2.0907695825054318
Energy: 2.052662915588383
Energy: 2.0838366068132927
Energy: 2.0523316290451845
Energy: 2.11257326239516
Energy: 2.25210244295734
Energy: 2.187266525541444
Energy: 2.2573864142685767
Energy: 2.1199527149659665
Energy: 2.2521024429578684
Energy: 2.1199527149659665
Energy: 2.096630787013174
Energy: 2.2143992238192585
Energy: 2.096630787012645
Energy: 2.211538515756923
Energy: 2.096630787013174
Energy: 2.2143992238187296
Energy: 2.0966307870121637
Energy: 1.9743746215218005
Energy: 1.9918590861756373
Energy: 1.9743746215223297
Energy: 1.9918590861761665
Energy: 1.9743746215212714
Energy: 1.9918590861761665
Energy: 1.9743746215207425
Energy: 1.9929618876281383
Energy: 2.0686118772976436
Energy: 1.9929618876286674
Energy: 2.0686118772981734
Energy: 1.992961887629726
Energy: 2.0686118772981734
Energy: 1.9929618876286674
Energy: 2.1437558700256245
Energy: 2.0754721021122666
Energy: 2.052471528199804
Energy: 2.0474695615334255
Energy: 2.1437558700256245
Energy: 2.0754721021117373
Energy: 2.052471528198746
Energy: 2.2266636166763534
Energy: 2.1856048573733475
Energy: 2.141471137199675
Energy: 2.1416764957609256
Energy: 2.2266636166768827
Energy: 2.1856048573733475
Energy: 2.1414711372007327
Energy: 2.078680245330043
Energy: 2.0395934063785726
Energy: 2.0785416098383505
Energy: 2.0388616824170693
Energy: 2.0786802453311006
Energy: 2.0395934063796317
Energy: 2.0785416098378215
Energy: 2.2106807809605007
Energy: 2.0506986589833063
Energy: 2.21098035877868
Energy: 2.0630923008252484
Energy: 2.2106807809594424
Energy: 2.0506986589838356
Energy: 2.210980358779738
Energy: 2.1197559188202315
Energy: 2.1163124711418893
Energy: 2.1198459544101595
Energy: 2.1163124711429475
Energy: 2.119755918819703
Energy: 2.116312471143477
Energy: 2.11984595440963
Energy: 2.08316669378282
Energy: 2.204267172855224
Energy: 2.0831666937833493
Energy: 2.2006077094289314
Energy: 2.0831666937833493
Energy: 2.204267172855224
Energy: 2.0831666937833493
Energy: 2.0106731904336144
Energy: 2.005177631372905
Energy: 2.010673190434143
Energy: 2.005177631372905
Energy: 2.010673190433085
Energy: 2.005177631372905
Energy: 2.010673190434143
Energy: 2.216241511418649
Energy: 2.1323858509569678
Energy: 2.216241511418649
Energy: 2.132385850957496
Energy: 2.2162415114197067
Energy: 2.1323858509569678
Energy: 2.216241511419178
Energy: 2.247406934367177
Energy: 2.120717335212094
Energy: 2.247406934368236
Energy: 2.120717335212094
Energy: 2.247406934367706
Energy: 2.120717335212094
Energy: 2.247406934367177
Energy: 2.0437555232759808
Energy: 2.2145369377446498
Energy: 2.043683559446463
Energy: 2.1855701187969716
Energy: 2.04375552327651
Energy: 2.2145369377441213
Energy: 2.0436835594459337
Energy: 2.0380675295760398
Energy: 2.075024101343917
Energy: 2.0380738541171683
Energy: 2.0752441007199516
Energy: 2.0380675295755104
Energy: 2.0750241013433874
Energy: 2.0380738541171683
Energy: 2.168852274903928
Energy: 2.2140729286543928
Energy: 2.1688522749033985
Energy: 2.2140729286538634
Energy: 2.1688522749028696
Energy: 2.2140729286549217
Energy: 2.1688522749033985
Energy: 2.2086183702535975
Energy: 2.185420148227299
Energy: 2.2087089793155488
Energy: 2.1854265731633067
Energy: 2.208618370254127
Energy: 2.1854201482257114
Energy: 2.2087089793144896
Energy: 1.9768056318343097
Energy: 2.0030744934133877
Energy: 1.9768056318332512
Energy: 2.0030744934123295
Energy: 1.9768056318348388
Energy: 2.0030744934123295
Energy: 1.9768056318353682

minimum gb energy = 1.9530515019100811 eV
minimum distance =  2.4680855538384 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.9927076989134054
Energy: 2.0645530824746006
Energy: 1.9927076989127805
Energy: 2.0645530824746006
Energy: 1.9927076989127805
Energy: 2.0645530824752254
Energy: 1.9927076989127805
Energy: 1.9313399037850096
Energy: 1.8721064219507852
Energy: 1.9313399037862584
Energy: 1.8721064219501606
Energy: 1.9313399037850096
Energy: 1.8721064219514096
Energy: 1.9313399037856338
Energy: 1.9697439038406879
Energy: 1.903411307024924
Energy: 1.9697439038394389
Energy: 1.9034113070267973
Energy: 1.9697439038394389
Energy: 1.9034113070261731
Energy: 1.9697439038406879
Energy: 2.144355750553862
Energy: 1.8528907345668353
Energy: 2.144355750553238
Energy: 1.8528907345668353
Energy: 2.144355750553238
Energy: 1.8528907345674601
Energy: 2.144355750553862
Energy: 1.943599145481809
Energy: 1.8949697578925022
Energy: 1.9435991454836825
Energy: 1.8949697578918778
Energy: 1.9435991454830581
Energy: 1.8949697578925022
Energy: 1.9435991454830581
Energy: 2.011184608930756
Energy: 1.9084620105804768
Energy: 2.011184608930756
Energy: 1.9084620105804768
Energy: 2.0111846089313805
Energy: 1.9084620105811012
Energy: 2.011184608930756
Energy: 2.1856589882611397
Energy: 1.9681199428015523
Energy: 2.2357380160606755
Energy: 1.9681199428015523
Energy: 2.193143885599443
Energy: 1.9681199428015523
Energy: 2.193143885599443
Energy: 2.016703502197024
Energy: 1.9529593226461126
Energy: 2.016703502198898
Energy: 1.952959322644239
Energy: 2.016703502197649
Energy: 1.9529593226436142
Energy: 2.016703502197649
Energy: 2.0277773200734095
Energy: 1.952605888886427
Energy: 2.0277773200734095
Energy: 1.9526058888858024
Energy: 2.027777320072785
Energy: 1.952605888886427
Energy: 2.0277773200734095
Energy: 1.963698829375352
Energy: 2.0351654784571904
Energy: 1.963698829375352
Energy: 2.0351654784571904
Energy: 1.963698829375352
Energy: 2.0351654784584396
Energy: 1.9636988293759767
Energy: 2.06582379315801
Energy: 1.9814729482853646
Energy: 1.9330043283732496
Energy: 1.981472948285989
Energy: 1.933004328372625
Energy: 1.9814729482853646
Energy: 1.9330043283738738
Energy: 1.984239158156325
Energy: 1.8541049608189986
Energy: 1.984239158156325
Energy: 1.8541049608196232
Energy: 1.9842391581557006
Energy: 1.8541049608189986
Energy: 1.984239158156325
Energy: 1.9413880504105427
Energy: 1.8973901761555345
Energy: 1.9413880504105427
Energy: 1.8973901761561591
Energy: 1.9413880504099186
Energy: 1.8973901761567835
Energy: 1.9413880504086694
Energy: 1.9692153785766089
Energy: 1.8537754154052133
Energy: 1.9692153785772335
Energy: 1.8537754154058377
Energy: 1.9692153785766089
Energy: 1.8537754154058377
Energy: 1.9692153785772335
Energy: 1.980802379958835
Energy: 1.9548382520787333
Energy: 1.9808023799475936
Energy: 1.9548382520787333
Energy: 2.1619705704585632
Energy: 1.9548382520793577
Energy: 2.0995517233158454
Energy: 1.9695002033002393
Energy: 1.9129969448352864
Energy: 1.9695002032996147
Energy: 1.912996944834662
Energy: 1.9695002032996147
Energy: 1.9129969448340376
Energy: 1.9695002033002393
Energy: 2.008257370905981
Energy: 1.9527098297027283
Energy: 2.0082573709053566
Energy: 1.9527098297039773
Energy: 2.0082573709053566
Energy: 1.9527098297046022
Energy: 2.0082573709053566
Energy: 2.066720647055137
Energy: 1.9500200721816543
Energy: 2.0667206470545127
Energy: 1.95002007218103
Energy: 2.0667206470545127
Energy: 1.9500200721797807
Energy: 2.0667206470545127
Energy: 2.0428963660738373
Energy: 1.9643415403960909
Energy: 2.0428963664171538
Energy: 1.9643415403948419
Energy: 2.042896366252394
Energy: 1.9643415403936497
Energy: 2.042896366153719
Energy: 1.9639973561751911
Energy: 2.0291112606785355
Energy: 1.9639973561751911
Energy: 2.0291112606785355
Energy: 1.9639973561733175
Energy: 2.029111260679728
Energy: 1.9639973561745663
Energy: 1.9887453586439396
Energy: 1.8532745343787356
Energy: 1.9887453586433153
Energy: 1.853274534378111
Energy: 1.9887453586439396
Energy: 1.8532745343806092
Energy: 1.9887453586451886
Energy: 2.0167174824628917
Energy: 1.8513190140579903
Energy: 2.0167174824628917
Energy: 1.8513190140586149
Energy: 2.016717482463516
Energy: 1.851319014056741
Energy: 2.0167174824628917
Energy: 2.043230001075651
Energy: 1.9034380100674226
Energy: 2.0432300010818962
Energy: 1.9034380100674226
Energy: 2.043230001080648
Energy: 1.9034380100686716
Energy: 2.043230001085644
Energy: 1.9407992506484204
Energy: 1.850310745605963
Energy: 1.940799250647796
Energy: 1.8503107456072123
Energy: 1.9407992506496692
Energy: 1.8503107456053387
Energy: 1.9407992506484204
Energy: 2.0178381424448117
Energy: 1.915337137215175
Energy: 2.017838142445436
Energy: 1.9153371372158
Energy: 2.017838142445436
Energy: 1.915337137213926
Energy: 2.017838142445436
Energy: 2.0824855060890433
Energy: 1.9724129427066368
Energy: 2.0824855060890433
Energy: 1.9724129427072612
Energy: 2.0824855060890433
Energy: 1.9724129427066368
Energy: 2.082485506089668
Energy: 2.0177817236991484
Energy: 1.9504458092399546
Energy: 2.017781723700397
Energy: 1.9504458092393298
Energy: 2.0177817236991484
Energy: 1.9504458092399546
Energy: 2.0177817236991484
Energy: 1.9315525077008722
Energy: 1.9461834435906922
Energy: 1.9315525077008722
Energy: 1.9461834435900678
Energy: 1.9315525077021212
Energy: 1.946183443591317
Energy: 1.9315525077014966
Energy: 1.9927076989127805
Energy: 2.0645530824752254
Energy: 1.9927076989127805
Energy: 2.0645530824758493
Energy: 1.9927076989134054
Energy: 2.0645530824752254
Energy: 1.9927076989127805
Energy: 1.9313399037850096
Energy: 1.8721064219514096
Energy: 1.9313399037868828
Energy: 1.8721064219507852
Energy: 1.9313399037850096
Energy: 1.8721064219526586
Energy: 1.9313399037856338

minimum gb energy = 1.8503107456053387 eV
minimum distance =  2.47683686807595 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.8334154452365674
Energy: 1.9203591040965078
Energy: 1.8334154452365674
Energy: 1.920359104097266
Energy: 1.8334154452365674
Energy: 1.9203591040965078
Energy: 1.8334154452365674
Energy: 1.7361208684536553
Energy: 1.6983064204118141
Energy: 1.7361208684544134
Energy: 1.6983064204110563
Energy: 1.7361208684536553
Energy: 1.6983064204110563
Energy: 1.7361208684536553
Energy: 1.8060485911878128
Energy: 1.7760950178557307
Energy: 1.806048591188571
Energy: 1.7760950178542148
Energy: 1.8060485911878128
Energy: 1.7760950178549728
Energy: 1.806048591188571
Energy: 1.675800282233186
Energy: 1.6961106744068748
Energy: 1.675800282233186
Energy: 1.6961106744068748
Energy: 1.6758002822316698
Energy: 1.6961106744076329
Energy: 1.6758002822339437
Energy: 1.6377620765496352
Energy: 1.7351351238690702
Energy: 1.6377620765496352
Energy: 1.7351351238690702
Energy: 1.6377620765503933
Energy: 1.7351351238698285
Energy: 1.6377620765496352
Energy: 1.6683461674944446
Energy: 1.7084564501140316
Energy: 1.6683461674936866
Energy: 1.7084564501132735
Energy: 1.6683461674944446
Energy: 1.7084564501140316
Energy: 1.6683461674944446
Energy: 1.5973924823946215
Energy: 2.4057754373402362
Energy: 1.5973924823961374
Energy: 2.4057754373402362
Energy: 1.5973924823946215
Energy: 2.4057754373402362
Energy: 1.5973924823953798
Energy: 1.722172517282135
Energy: 1.7026768989634153
Energy: 1.7221725172813767
Energy: 1.702676898962657
Energy: 1.722172517282135
Energy: 1.7026768989634153
Energy: 1.7221725172813767
Energy: 1.8220959879424972
Energy: 1.6563512032229268
Energy: 1.8220959879432554
Energy: 1.6563512032221688
Energy: 1.8220959879424972
Energy: 1.6563512032221688
Energy: 1.8220959879432554
Energy: 1.6848188381112974
Energy: 2.368026439333518
Energy: 1.684818838109781
Energy: 2.3680264393327595
Energy: 1.6848188381112974
Energy: 2.368026439333518
Energy: 1.684818838109781
Energy: 1.5883659947094941
Energy: 1.7030194277163115
Energy: 1.5883659947102522
Energy: 1.7030194277163115
Energy: 1.5883659947094941
Energy: 1.7030194277163115
Energy: 1.5883659947102522
Energy: 1.6662445329163882
Energy: 1.735977438392805
Energy: 1.6662445329171465
Energy: 1.7359774383943216
Energy: 1.6662445329163882
Energy: 1.7359774383935633
Energy: 1.6662445329171465
Energy: 1.733075746059835
Energy: 1.658297067133947
Energy: 1.733075746059835
Energy: 1.658297067133189
Energy: 1.733075746059835
Energy: 1.658297067133947
Energy: 1.733075746059835
Energy: 1.7631701774495034
Energy: 2.4283230155233775
Energy: 1.7631701774502617
Energy: 2.4283230155226194
Energy: 1.7631701774495034
Energy: 2.4283230155233775
Energy: 1.7631701774495034
Energy: 1.7286960332068146
Energy: 1.7127090007968984
Energy: 1.7286960332060564
Energy: 1.7127090007968984
Energy: 1.7286960332060564
Energy: 1.71270900079614
Energy: 1.7286960332060564
Energy: 1.8383595415415173
Energy: 1.8662906364700262
Energy: 1.8383595415430338
Energy: 1.8662906364692682
Energy: 1.8383595415415173
Energy: 1.8662906364700262
Energy: 1.8383595415437914
Energy: 1.7609746808471132
Energy: 1.6930454957233543
Energy: 1.7609746808471132
Energy: 1.6930454957218382
Energy: 1.7609746808471132
Energy: 1.6930454957218382
Energy: 1.7609746808471132
Energy: 1.7881036278955984
Energy: 2.4284055809100487
Energy: 1.7881036278963567
Energy: 2.42840558090929
Energy: 1.7881036278955984
Energy: 2.4284055809108067
Energy: 1.7881036278955984
Energy: 1.7263727186938427
Energy: 1.712534804552457
Energy: 1.726372718694601
Energy: 1.712534804552457
Energy: 1.726372718694601
Energy: 1.7125348045516988
Energy: 1.726372718694601
Energy: 1.6656555856086301
Energy: 1.6491285262096234
Energy: 1.6656555856086301
Energy: 1.6491285262096234
Energy: 1.6656555856078719
Energy: 1.6491285262096234
Energy: 1.6656555856093882
Energy: 1.6708536529942537
Energy: 1.815443790705952
Energy: 1.670853652995012
Energy: 1.815443790705952
Energy: 1.6708536529942537
Energy: 1.815443790705952
Energy: 1.670853652995012
Energy: 1.581899500140186
Energy: 2.419136259326624
Energy: 1.5818995001394278
Energy: 2.419136259326624
Energy: 1.581899500140186
Energy: 2.419136259326624
Energy: 1.5818995001394278
Energy: 1.7435182365994262
Energy: 1.7127634979799853
Energy: 1.743518236600184
Energy: 1.7127634979799853
Energy: 1.743518236600184
Energy: 1.7127634979799853
Energy: 1.743518236600184
Energy: 1.789410396093815
Energy: 1.649080764389258
Energy: 1.789410396093815
Energy: 1.649080764389258
Energy: 1.789410396093815
Energy: 1.649080764389258
Energy: 1.7894103960945733
Energy: 1.6703066975869998
Energy: 1.8481104752014932
Energy: 1.6703066975869998
Energy: 1.8481104752014932
Energy: 1.6703066975869998
Energy: 1.8481104752014932
Energy: 1.6703066975869998

minimum gb energy = 1.5818995001394278 eV
minimum distance =  2.53105955725432 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.5718670033650242
Energy: 1.6066424225291522
Energy: 1.5718670033637931
Energy: 1.6066424225321525
Energy: 1.571867003364178
Energy: 1.6066424225296136
Energy: 1.571867003364178
Energy: 1.5476574562310916
Energy: 1.4808944245631426
Energy: 1.547657456233246
Energy: 1.4808944245618347
Energy: 1.5476574562315535
Energy: 1.4808944245622964
Energy: 1.547657456233246
Energy: 1.5637630386774986
Energy: 1.5512521651631384
Energy: 1.5637630386796526
Energy: 1.5512521651631384
Energy: 1.5637630386779597
Energy: 1.5512521651644464
Energy: 1.5637630386796526
Energy: 1.479577287079584
Energy: 1.4755716706277109
Energy: 1.4795772870791992
Energy: 1.475571670628557
Energy: 1.4795772870791992
Energy: 1.4755716706277109
Energy: 1.4795772870787376
Energy: 1.4821606275372838
Energy: 1.5775505435731385
Energy: 1.4821606275364378
Energy: 1.5775505435756771
Energy: 1.4821606275368224
Energy: 1.5775505435736
Energy: 1.4821606275355916
Energy: 1.4723687117771265
Energy: 1.4934552105749692
Energy: 1.4723687117783575
Energy: 1.4934552105715844
Energy: 1.4723687117783575
Energy: 1.4934552105698917
Energy: 1.4723687117779727
Energy: 1.4567065090346847
Energy: 1.52078746936386
Energy: 1.4567065090351463
Energy: 1.520787469361321
Energy: 1.456706509035531
Energy: 1.520787469363475
Energy: 1.456706509035531
Energy: 1.4673585731537993
Energy: 1.4344256769607637
Energy: 1.4673585731551069
Energy: 1.43442567696161
Energy: 1.4673585731537993
Energy: 1.4344256769595327
Energy: 1.4673585731551069
Energy: 1.5177719339456464
Energy: 1.4772224105911114
Energy: 1.5177719339456464
Energy: 1.4772224105907266
Energy: 1.5177719339456464
Energy: 1.477222410590265
Energy: 1.5177719339456464
Energy: 1.4909052446929487
Energy: 1.4362595853321465
Energy: 1.4909052446946414
Energy: 1.4362595853291462
Energy: 1.4909052446929487
Energy: 1.4362595853325313
Energy: 1.4909052446946414
Energy: 1.4207367352640043
Energy: 1.3913014933365855
Energy: 1.4207367352673894
Energy: 1.3913014933357393
Energy: 1.420736735264466
Energy: 1.391301493334893
Energy: 1.4207367352665432
Energy: 1.4237101069531926
Energy: 1.4564208905223361
Energy: 1.423710106954039
Energy: 1.4564208905240286
Energy: 1.423710106954039
Energy: 1.4564208905214897
Energy: 1.4237101069552698
Energy: 1.3610353872554748
Energy: 1.6186230936130124
Energy: 1.3610353872550134
Energy: 1.618623093613397
Energy: 1.3610353872550134
Energy: 1.618623093613397
Energy: 1.3610353872546286
Energy: 1.5018076573494654
Energy: 1.4343707340320357
Energy: 1.5018076573528505
Energy: 1.4343707340320357
Energy: 1.5018076573494654
Energy: 1.4343707340307281
Energy: 1.5018076573523889
Energy: 1.4886841822540458
Energy: 1.3980824092071622
Energy: 1.4886841822552763
Energy: 1.3980824091643886
Energy: 1.488684182253584
Energy: 1.3980824092105468
Energy: 1.4886841822552763
Energy: 1.411154762343343
Energy: 1.7894960206307813
Energy: 1.411154762342035
Energy: 1.789496020628627
Energy: 1.411154762342035
Energy: 1.7894960206299348
Energy: 1.4111547623424967
Energy: 1.3609903651578614
Energy: 1.4494717003127815
Energy: 1.360990365154938
Energy: 1.4494717003140125
Energy: 1.360990365158323
Energy: 1.4494717003119353
Energy: 1.3609903651553228
Energy: 1.4199296412698703
Energy: 1.4454147268694175
Energy: 1.4199296412652544
Energy: 1.445414726872341
Energy: 1.4199296412694853
Energy: 1.445414726869802
Energy: 1.4199296412647928
Energy: 1.4563758860952227
Energy: 1.413728977046882
Energy: 1.4563758860948381
Energy: 1.4137289770443433
Energy: 1.4563758860948381
Energy: 1.4137289770481898
Energy: 1.4563758860952227
Energy: 1.4753117417476216
Energy: 1.635216239933231
Energy: 1.4753117417463908
Energy: 1.6352162399344619
Energy: 1.475311741745083
Energy: 1.6352162399323846
Energy: 1.4753117417467752
Energy: 1.4555357267957012
Energy: 1.4300765967118405
Energy: 1.455535726794855
Energy: 1.4300765967131484
Energy: 1.4555357267973936
Energy: 1.4300765967106097
Energy: 1.4555357267940088
Energy: 1.4466863468192972
Energy: 1.4605664439984374
Energy: 1.4466863468180664
Energy: 1.4605664416477457
Energy: 1.4466863468189126
Energy: 1.4605664417806048
Energy: 1.4466863468180664
Energy: 1.4535385412757307
Energy: 1.4033880490788364
Energy: 1.453538541280808
Energy: 1.403388049079221
Energy: 1.4535385412757307
Energy: 1.4033880490788364
Energy: 1.4535385412825006
Energy: 1.4080549392927493
Energy: 1.7228342637702332
Energy: 1.4080549392919028
Energy: 1.7228342637698486
Energy: 1.4080549392914414
Energy: 1.7228342637710796
Energy: 1.4080549392914414
Energy: 1.5907004952310502
Energy: 1.461715105701518
Energy: 1.5907004952280497
Energy: 1.4617151057019029
Energy: 1.5907004952305888
Energy: 1.4617151057044415
Energy: 1.590700495228896
Energy: 1.5256249344051565
Energy: 1.470528798502342
Energy: 1.525624934404772
Energy: 1.4705287985028035
Energy: 1.525624934404772
Energy: 1.4705287985052653
Energy: 1.5256249344056179
Energy: 1.549637673939938
Energy: 1.7019022594101871
Energy: 1.5496376739416307
Energy: 1.7019022594127258
Energy: 1.5496376739407842
Energy: 1.7019022594098023
Energy: 1.5496376739407842
Energy: 1.5111445927967042
Energy: 1.6967139040178059
Energy: 1.511144592798012
Energy: 1.696713904013113
Energy: 1.5111445927971663
Energy: 1.6967139040156516
Energy: 1.5111445927992433
Energy: 1.69098537159162
Energy: 1.5001509864965281
Energy: 1.6909853715941592
Energy: 1.5001509864986824
Energy: 1.690985371593313
Energy: 1.5001509864986824
Energy: 1.6909853715962364
Energy: 1.5319737511469909
Energy: 1.4706067736698112
Energy: 1.5319737511473754
Energy: 1.4706067736706572
Energy: 1.5319737511465292
Energy: 1.4706067736702726
Energy: 1.5319737511482217
Energy: 1.515776914146805
Energy: 1.513117885793132
Energy: 1.5157769141472663
Energy: 1.5131178857926704
Energy: 1.5157769141459587
Energy: 1.5131178857943626
Energy: 1.515776914146805
Energy: 1.4080339264896546
Energy: 1.6805469051929918
Energy: 1.4080339264901163
Energy: 1.680546905193838
Energy: 1.40803392648927
Energy: 1.6805469051934532
Energy: 1.4080339264901163
Energy: 1.6064224523320303
Energy: 1.5108750207777002
Energy: 1.6064224523320303
Energy: 1.5108750207793926
Energy: 1.6064224523320303
Energy: 1.510875020780239
Energy: 1.6064224523320303
Energy: 1.4127737486248275
Energy: 1.4443791849882468
Energy: 1.4127737486239813
Energy: 1.4443791849877852
Energy: 1.412773748624443
Energy: 1.4443791849874004
Energy: 1.4127737486248275
Energy: 1.4640158214991128
Energy: 1.639644801414755
Energy: 1.4640158214991128
Energy: 1.639644801413909
Energy: 1.4640158214986512
Energy: 1.6396448014143705
Energy: 1.4640158214982666
Energy: 1.4598726106467754
Energy: 1.6154854880726057
Energy: 1.45987261064716
Energy: 1.6154854880726057
Energy: 1.4598726106476216
Energy: 1.615485488073452
Energy: 1.45987261064716
Energy: 1.658758542803553
Energy: 1.4396543728908224
Energy: 1.658758542800168
Energy: 1.4396543728904376
Energy: 1.6587585428027072
Energy: 1.4396543728904376
Energy: 1.6587585427997837
Energy: 1.4116896343888394
Energy: 1.3965737952854007
Energy: 1.411689634387147
Energy: 1.3965737952850164
Energy: 1.411689634388378
Energy: 1.3965737952850164
Energy: 1.411689634387147
Energy: 1.415609566983805
Energy: 1.4213764655977448
Energy: 1.4156095669821127
Energy: 1.4213764655981296
Energy: 1.415609566983805
Energy: 1.4213764655968986
Energy: 1.4156095669834203
Energy: 1.3607393062564959
Energy: 1.4126861178842256
Energy: 1.360739306257342
Energy: 1.4126861178825332
Energy: 1.3607393062561113
Energy: 1.4126861178808408
Energy: 1.360739306257342
Energy: 1.4384590821303445
Energy: 1.4583809619340375
Energy: 1.4384590821332677
Energy: 1.4583809619328068
Energy: 1.438459082130729
Energy: 1.4583809619340375
Energy: 1.4384590821311907
Energy: 1.4443104247872156
Energy: 1.4006057295659105
Energy: 1.4443104247855232
Energy: 1.400605729575219
Energy: 1.4443104247872156
Energy: 1.400605729512213
Energy: 1.4443104247855232
Energy: 1.4172392003962362
Energy: 1.82178098901907
Energy: 1.4172392003966978
Energy: 1.8217809890186851
Energy: 1.4172392003966978
Energy: 1.82178098901907
Energy: 1.4172392003970826
Energy: 1.3605769729451247
Energy: 1.4248655537558634
Energy: 1.360576972945971
Energy: 1.4248655537533246
Energy: 1.3605769729455863
Energy: 1.4248655537554784
Energy: 1.360576972945971
Energy: 1.4121624176592222
Energy: 1.4433649419621115
Energy: 1.4121624176566834
Energy: 1.443364941961727
Energy: 1.4121624176583758
Energy: 1.4433649419625731
Energy: 1.4121624176571452

minimum gb energy = 1.3605769729451247 eV
minimum distance =  2.51551042438411 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623380843
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623380843
Energy: 3.036245351594155
Energy: 1.6713479355301861
Energy: 3.0362739851350478
Energy: 1.6713479355301861
Energy: 3.036348681035408
Energy: 1.6713479355301861
Energy: 3.036137876375495
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719507337
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 3.34188274939999
Energy: 1.6713479355301861
Energy: 3.342201431619316
Energy: 1.6713479355301861
Energy: 3.0358958726845824
Energy: 1.6713479355301861
Energy: 3.036019491606659
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 3.341960665899028
Energy: 1.6713479355301861
Energy: 3.3423280780863367
Energy: 1.6713479355301861
Energy: 3.0358617627954727
Energy: 1.6713479355301861
Energy: 3.0358652478421124
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 3.0364219564175574
Energy: 1.6713479355301861
Energy: 3.036388352073752
Energy: 1.6713479355301861
Energy: 3.0364279551373863
Energy: 1.6713479355301861
Energy: 3.0364660761512368
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 3.0359391981791175
Energy: 1.6713479355292322
Energy: 3.035882931456694
Energy: 1.6713479355301861
Energy: 3.035858111098866
Energy: 1.6713479355292322
Energy: 3.035882625013489
Energy: 0.4804753623371303
Energy: 0.5843733719507337
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719507337
Energy: 0.4804753623371303
Energy: 3.036465745839752
Energy: 1.6713479355301861
Energy: 3.0365564140677512
Energy: 1.6713479355301861
Energy: 3.0362911635819256
Energy: 1.6713479355301861
Energy: 3.036582670428422
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 3.036318134691012
Energy: 1.6713479355301861
Energy: 3.0364411667051905
Energy: 1.6713479355301861
Energy: 3.0364713230191187
Energy: 1.6713479355301861
Energy: 3.036510424237219
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719507337
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 3.036689193713698
Energy: 1.6713479355301861
Energy: 3.0367523335333515
Energy: 1.6713479355301861
Energy: 3.03655075538846
Energy: 1.6713479355301861
Energy: 3.0365776500162145
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 3.0364654803934576
Energy: 1.6713479355301861
Energy: 3.03647784162095
Energy: 1.6713479355301861
Energy: 3.036487535630839
Energy: 1.6713479355301861
Energy: 3.0364916433024804
Energy: 0.4804753623371303
Energy: 0.5843733719507337
Energy: 0.4804753623371303
Energy: 0.5843733719516878
Energy: 0.4804753623371303
Energy: 0.5843733719507337
Energy: 0.4804753623371303
Energy: 3.0363517070451054
Energy: 1.6713479355311402
Energy: 3.0363526230068056
Energy: 1.6713479355301861
Energy: 3.036347975343796
Energy: 1.6713479355311402
Energy: 3.0363456862315172

minimum gb energy = 0.4804753623371303 eV
minimum distance =  2.49632643799247 Angstroms
sigma value = 23