Model name: model_name=Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5937291532754903
cohesive_energy=4.272647465988353
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.9750254090297712
Energy: 0.3019344821009011
Energy: 0.9750254090294538
Energy: 0.3019344821009011
Energy: 0.9750254090297712
Energy: 0.3019344821005838
Energy: 0.01671127994819963
Energy: 0.9750254090294538
Energy: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.9750254090297712
Energy: 0.3019344821009011
Energy: 0.9750254090297712
Energy: 1.1195035444743655
Energy: 0.9750254090294538
Energy: 1.2822624407117884
Energy: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.01671127994819963
Energy: 0.9750254090297712
Energy: 0.9750254090297712
Energy: 0.3019344821011832
Energy: 0.9750254090294538
Energy: 1.2822624407117884
Energy: 0.9750254090297712
Energy: 0.8227353166708476

minimum gb energy = 0.01671127994819963 eV
minimum distance =  2.43254775170503 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.2159818403956248
Energy: 1.3655571850031458
Energy: 1.2159818403940972
Energy: 1.3655571850023818
Energy: 1.215981840394861
Energy: 1.3655571850023818
Energy: 1.4260365675265132
Energy: 0.9801016471751609
Energy: 1.4260365675249855
Energy: 0.9801016471751609
Energy: 1.4260365675257491
Energy: 0.9801016471743971
Energy: 1.1494506286097472
Energy: 1.156794678230586
Energy: 1.1494506286097472
Energy: 1.15679467823135
Energy: 1.1494506286089834
Energy: 1.156794678230586
Energy: 1.250457107294879
Energy: 1.0671003993602928
Energy: 1.2504571072964066
Energy: 1.0671003993618207
Energy: 1.2504571072956427
Energy: 1.0671003993610566
Energy: 1.11324723675027
Energy: 1.203068243416638
Energy: 1.1132472367510338
Energy: 1.203068243416638
Energy: 1.1132472367510338
Energy: 1.2030682434174018
Energy: 1.2114917775297862
Energy: 1.0334226533533521
Energy: 1.2114917775297862
Energy: 1.033422653354116
Energy: 1.2114917775290224
Energy: 1.0334226533533521
Energy: 1.1081769886010109
Energy: 1.1757847087200406
Energy: 1.108176988601775
Energy: 1.1757847087200406
Energy: 1.1081769886025385
Energy: 1.1757847087200406
Energy: 1.0552327482103165
Energy: 1.2535267253540832
Energy: 1.0552327482103165
Energy: 1.2535267253540832
Energy: 1.0552327482110802
Energy: 1.2535267253525555
Energy: 1.2379066817333884
Energy: 1.1759691333476676
Energy: 1.237906681734152
Energy: 1.1759691333491953
Energy: 1.237906681734152
Energy: 1.1759691333476676
Energy: 0.9685939214155463
Energy: 1.3057393578681635
Energy: 0.9685939214155463
Energy: 1.3057393578681635
Energy: 0.9685939214155463
Energy: 1.3057393578674
Energy: 1.230343099393564
Energy: 1.025173841850918
Energy: 1.230343099393564
Energy: 1.0251738418501541
Energy: 1.2303430993950917
Energy: 1.025173841850918
Energy: 0.9513727373811883
Energy: 1.215729172162044
Energy: 0.9513727373811883
Energy: 1.2157291721628078
Energy: 0.9513727373811883
Energy: 1.215729172162044
Energy: 1.3225231677316065
Energy: 0.9320210656276668
Energy: 1.3225231677308427
Energy: 0.9320210656284307
Energy: 1.3225231677316065
Energy: 0.9320210656284307
Energy: 1.0611806467705547
Energy: 1.1404619687224593
Energy: 1.0611806467713185
Energy: 1.1404619687224593
Energy: 1.0611806467713185
Energy: 1.1404619687232234
Energy: 1.3852317097951474
Energy: 0.9834492738662578
Energy: 1.3852317097951474
Energy: 0.9834492738647302
Energy: 1.385231709796675
Energy: 0.983449273865494
Energy: 1.2972508864340906
Energy: 1.171529601908627
Energy: 1.2972508864340906
Energy: 1.1715296019093908
Energy: 1.2972508864348544
Energy: 1.1715296019093908
Energy: 1.1495576452579133
Energy: 1.132904668026092
Energy: 1.1495576452571494
Energy: 1.1329046680283834
Energy: 1.1495576452579133
Energy: 1.1329046680283834
Energy: 1.1495835460121258
Energy: 1.0811101403896954
Energy: 1.149583546010598
Energy: 1.0811101403889318
Energy: 1.1495835460098343
Energy: 1.0811101403881678
Energy: 1.0080716405220471
Energy: 1.07296758430018
Energy: 1.0080716405228112
Energy: 1.0729675842986524
Energy: 1.0080716405228112
Energy: 1.07296758430018
Energy: 1.1807988126564601
Energy: 1.0337538276274334
Energy: 1.180798812657224
Energy: 1.0337538276266696
Energy: 1.1807988126564601
Energy: 1.0337538276266696
Energy: 1.0012065867702262
Energy: 1.2968665756242768
Energy: 1.0012065867702262
Energy: 1.2968665756242768
Energy: 1.0012065867694624
Energy: 1.2968665756250406
Energy: 1.2539097899634641
Energy: 1.175474085690724
Energy: 1.2539097899627003
Energy: 1.1754740856899601
Energy: 1.2539097899627003
Energy: 1.175474085690724
Energy: 0.9176393095879789
Energy: 1.4237888214406207
Energy: 0.9176393095879789
Energy: 1.4237888214413843
Energy: 0.9176393095887427
Energy: 1.4237888214406207

minimum gb energy = 0.9176393095879789 eV
minimum distance =  2.34265005327483 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.2163366853159918
Energy: 1.4009103389189261
Energy: 1.216336685315123
Energy: 1.4009103389184916
Energy: 1.2163366853159918
Energy: 1.4009103389184916
Energy: 1.341696915117212
Energy: 1.0865155122043917
Energy: 1.3416969151176465
Energy: 1.0865155122039571
Energy: 1.3416969151185156
Energy: 1.0865155122039571
Energy: 0.9580566728550026
Energy: 1.119812389766641
Energy: 0.9580566728550026
Energy: 1.1198123897670755
Energy: 0.9580566728532647
Energy: 1.1198123897657721
Energy: 1.2645560784918277
Energy: 1.2609988547472106
Energy: 1.264556078491393
Energy: 1.2609988547476447
Energy: 1.2645560784926966
Energy: 1.2609988547480793
Energy: 1.0893631750816961
Energy: 1.2728835545580235
Energy: 1.0893631750795236
Energy: 1.2728835545580235
Energy: 1.089363175080393
Energy: 1.272883554557589
Energy: 1.1193120725433874
Energy: 0.9531497762879714
Energy: 1.1193120725433874
Energy: 0.953149776286668
Energy: 1.1193120725433874
Energy: 0.9531497762879714
Energy: 1.3169797230850628
Energy: 1.2167661587605147
Energy: 1.3169797230850628
Energy: 1.2167661587600802
Energy: 1.316979723085932
Energy: 1.2167661587600802
Energy: 0.932395849033765
Energy: 1.3156474244879397
Energy: 0.9323958490324616
Energy: 1.3156474244870708
Energy: 0.932395849033765
Energy: 1.3156474244875054
Energy: 1.1180005508148396
Energy: 0.9555747897963889
Energy: 1.1180005508183153
Energy: 0.9555747897972577
Energy: 1.1180005508174466
Energy: 0.9555747897972577
Energy: 0.9060262695209342
Energy: 1.3181092482436538
Energy: 0.9060262695209342
Energy: 1.3181092482436538
Energy: 0.9060262695213689
Energy: 1.318109248245826
Energy: 1.31613184866614
Energy: 0.9084884876448244
Energy: 1.3161318486665745
Energy: 0.9084884876448244
Energy: 1.3161318486657057
Energy: 0.9084884876448244
Energy: 0.9531838126832517
Energy: 1.152145977022604
Energy: 0.953183812683686
Energy: 1.1521459770230384
Energy: 0.953183812683686
Energy: 1.152145977023473
Energy: 1.3407650739438324
Energy: 0.9306930809128757
Energy: 1.3407650739438324
Energy: 0.9306930809128757
Energy: 1.3407650739438324
Energy: 0.9306930809133102
Energy: 1.2105225829433062
Energy: 1.313883972732912
Energy: 1.2105225829437405
Energy: 1.3138839727333465
Energy: 1.2105225829433062
Energy: 1.313883972732912
Energy: 1.1234001019457216
Energy: 1.0867454629533484
Energy: 1.1234001019457216
Energy: 1.0867454629542173
Energy: 1.123400101947025
Energy: 1.0867454629537832
Energy: 0.9537603352476917
Energy: 1.0851006429729597
Energy: 0.9537603352463881
Energy: 1.0851006429729597
Energy: 0.9537603352472572
Energy: 1.0851006429738288
Energy: 1.2574142064800806
Energy: 1.2581663048945635
Energy: 1.257414206480515
Energy: 1.2581663048945635
Energy: 1.2574142064800806
Energy: 1.258166304894998
Energy: 1.1164961302662018
Energy: 0.9535153211676468
Energy: 1.1164961302657672
Energy: 0.9535153211689503
Energy: 1.1164961302670706
Energy: 0.9535153211680814
Energy: 1.088875123835381
Energy: 1.3352074074993094
Energy: 1.088875123835381
Energy: 1.3352074075001783
Energy: 1.088875123835381
Energy: 1.3352074075006128
Energy: 1.3141913179090507
Energy: 1.2104604931050866
Energy: 1.3141913179090507
Energy: 1.2104604931072591
Energy: 1.3141913179099196
Energy: 1.21046049310639
Energy: 0.930088379694844
Energy: 1.3435840923470708
Energy: 0.930088379694844
Energy: 1.3435840923470708
Energy: 0.9300883796952785
Energy: 1.3435840923466362
Energy: 1.1179318079179665
Energy: 0.9557048005184914
Energy: 1.1179318079175318
Energy: 0.9557048005189258
Energy: 1.1179318079179665
Energy: 0.9557048005184914
Energy: 0.9067403557868626
Energy: 1.316285351495379
Energy: 0.9067403557868626
Energy: 1.3162853514958135
Energy: 0.9067403557868626
Energy: 1.3162853514958135
Energy: 1.3157841829427304
Energy: 1.0845102388335761
Energy: 1.3157841829462065
Energy: 1.0845102388344452
Energy: 1.3157841829462065
Energy: 1.0845102388340104
Energy: 0.9578876220461501
Energy: 1.1199156755166852
Energy: 0.9578876220457156
Energy: 1.1199156755188575
Energy: 0.9578876220439778
Energy: 1.1199156755184232
Energy: 1.2097669912900735
Energy: 1.278697797078065
Energy: 1.2097669912892044
Energy: 1.2786977970784994
Energy: 1.2097669912892044
Energy: 1.2786977970776305
Energy: 1.2099916824477563
Energy: 1.278917453521952
Energy: 1.2099916824481909
Energy: 1.2789174535449794
Energy: 1.2099916824473218
Energy: 1.2789174535293384
Energy: 0.9561718202358763
Energy: 1.1214580376628067
Energy: 0.9561718202354419
Energy: 1.1214580376632413
Energy: 0.9561718202354419
Energy: 1.1214580376632413
Energy: 1.3160325877566454
Energy: 1.084545210617736
Energy: 1.3160325877570798
Energy: 1.084545210619474
Energy: 1.3160325877583832
Energy: 1.0845452106186049
Energy: 0.9067540661485982
Energy: 1.3163333985010102
Energy: 0.9067540661490326
Energy: 1.3163333985010102
Energy: 0.9067540661490326
Energy: 1.3163333985010102
Energy: 1.118039783588034
Energy: 0.9556869859192693
Energy: 1.1180397835854274
Energy: 0.9556869859192693
Energy: 1.1180397835910756
Energy: 0.9556869859201381
Energy: 0.9300876677346538
Energy: 1.3435809212314338
Energy: 0.9300876677350881
Energy: 1.3435809212314338
Energy: 0.9300876677346538
Energy: 1.3435809212309993
Energy: 1.3140769700029318
Energy: 1.2104670469055616
Energy: 1.3140769700029318
Energy: 1.2104670469055616
Energy: 1.3140769700038009
Energy: 1.210467046905127
Energy: 1.0890489433918698
Energy: 1.3352893191536703
Energy: 1.0890489433918698
Energy: 1.335289319153236
Energy: 1.0890489433918698
Energy: 1.3352893191528015
Energy: 1.1165577036279672
Energy: 0.9536343355697048
Energy: 1.1165577036275325
Energy: 0.9536343355679668
Energy: 1.1165577036318775
Energy: 0.9536343355692704
Energy: 1.2574392056380883
Energy: 1.2584866666522547
Energy: 1.2574392056380883
Energy: 1.2584866666522547
Energy: 1.2574392056376538
Energy: 1.2584866666522547
Energy: 0.953104287611282
Energy: 1.0846423843778992
Energy: 0.9531042876104129
Energy: 1.0846423843778992
Energy: 0.9531042876099787
Energy: 1.0846423843800717
Energy: 1.123840415809568
Energy: 1.0867621028614043
Energy: 1.1238404158100028
Energy: 1.0867621028618388
Energy: 1.1238404158082649
Energy: 1.0867621028622731
Energy: 1.2104787996110764
Energy: 1.3139107915706376
Energy: 1.2104787996106419
Energy: 1.3139107915706376
Energy: 1.2104787996110764
Energy: 1.313910791571072
Energy: 1.3406848256676032
Energy: 0.9303721657526701
Energy: 1.3406848256680373
Energy: 0.9303721657531047
Energy: 1.3406848256680373
Energy: 0.9303721657531047
Energy: 0.9533128939479762
Energy: 1.151962001070244
Energy: 0.9533128939484107
Energy: 1.151962001071982
Energy: 0.9533128939484107
Energy: 1.1519620010693754

minimum gb energy = 0.9060262695209342 eV
minimum distance =  2.3680513687787 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.2133698052164095
Energy: 1.2955303088867665
Energy: 1.2133698052154027
Energy: 1.29553030888576
Energy: 1.2133698052164095
Energy: 1.29553030888576
Energy: 1.3779819501529131
Energy: 1.0646672565510915
Energy: 1.3779819501529131
Energy: 1.0646672565510915
Energy: 1.3779819501529131
Energy: 1.0646672565510915
Energy: 1.1178524124526172
Energy: 1.3257737397840614
Energy: 1.1178524124526172
Energy: 1.3257737397840614
Energy: 1.1178524124516107
Energy: 1.3257737397840614
Energy: 1.153689046984538
Energy: 0.9780446604710171
Energy: 1.1536890469855448
Energy: 0.9780446604710171
Energy: 1.153689046984538
Energy: 0.9780446604710171
Energy: 1.1579208573841235
Energy: 1.1495368263899488
Energy: 1.1579208573841235
Energy: 1.1495368263899488
Energy: 1.1579208573851303
Energy: 1.149536826388942
Energy: 1.1843989438777585
Energy: 1.148909907764247
Energy: 1.184398943876752
Energy: 1.1489099077652536
Energy: 1.1843989438777585
Energy: 1.1489099077662603
Energy: 1.1504285204194564
Energy: 1.154410020553226
Energy: 1.1504285204194564
Energy: 1.154410020553226
Energy: 1.1504285204194564
Energy: 1.154410020553226
Energy: 1.0437372073954856
Energy: 1.2310395919361663
Energy: 1.043737207394479
Energy: 1.2310395919381796
Energy: 1.043737207394479
Energy: 1.2310395919371728
Energy: 1.3047133782879536
Energy: 0.9758631505406544
Energy: 1.3047133782889602
Energy: 0.9758631505406544
Energy: 1.3047133782879536
Energy: 0.9758631505406544
Energy: 1.0264264750046914
Energy: 1.3426165333263265
Energy: 1.026426475005698
Energy: 1.3426165333253197
Energy: 1.0264264750046914
Energy: 1.3426165333263265
Energy: 1.3797268356400476
Energy: 0.9633874863554653
Energy: 1.3797268356400476
Energy: 0.9633874863554653
Energy: 1.3797268356400476
Energy: 0.9633874863554653
Energy: 1.2099919061351143
Energy: 1.2635996709078943
Energy: 1.2099919061351143
Energy: 1.2635996709078943
Energy: 1.2099919061351143
Energy: 1.2635996709078943
Energy: 1.302037567033652
Energy: 1.06637508149654
Energy: 1.3020375671564213
Energy: 1.06637508149654
Energy: 1.3020375669712378
Energy: 1.06637508149654
Energy: 1.1126315806428775
Energy: 1.1553844476038921
Energy: 1.112631580643884
Energy: 1.1553844476038921
Energy: 1.112631580643884
Energy: 1.1553844476038921
Energy: 1.1569226711574232
Energy: 1.1915092826949683
Energy: 1.1569226711574232
Energy: 1.191509282695975
Energy: 1.1569226711574232
Energy: 1.191509282695975
Energy: 1.180269606332156
Energy: 1.1489642315013038
Energy: 1.180269606332156
Energy: 1.1489642315013038
Energy: 1.1802696063331628
Energy: 1.1489642315013038
Energy: 1.156495397231183
Energy: 1.2412043664764785
Energy: 1.156495397231183
Energy: 1.2412043664764785
Energy: 1.1564953972301764
Energy: 1.2412043664774852
Energy: 1.198589173061097
Energy: 1.1491760742974124
Energy: 1.1985891730600904
Energy: 1.1491760742974124
Energy: 1.1985891730600904
Energy: 1.1491760742974124

minimum gb energy = 0.9633874863554653 eV
minimum distance =  2.31753035727359 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.9878790703409984
Energy: 1.1746096070756973
Energy: 0.9878790703409984
Energy: 1.1746096070756973
Energy: 0.9878790703409984
Energy: 1.1746096070751
Energy: 1.209131267142788
Energy: 1.1617440281074995
Energy: 1.209131267142788
Energy: 1.1617440281074995
Energy: 1.209131267142788
Energy: 1.1617440281074995
Energy: 0.9056671925456866
Energy: 1.16075682664538
Energy: 0.9056671925450895
Energy: 1.1607568266447827
Energy: 0.9056671925450895
Energy: 1.16075682664538
Energy: 1.1235433116268712
Energy: 0.9052695807213197
Energy: 1.1235433116268712
Energy: 0.9052695807213197
Energy: 1.1235433116268712
Energy: 0.9052695807213197
Energy: 0.9481089977420921
Energy: 0.9879997368789869
Energy: 0.9481089977420921
Energy: 0.9879997368789869
Energy: 0.9481089977426892
Energy: 0.9879997368789869
Energy: 0.9479398569321024
Energy: 0.9873849825379956
Energy: 0.9479398569321024
Energy: 0.9873849825379956
Energy: 0.9479398569315053
Energy: 0.9873849825373983
Energy: 1.1233392245638387
Energy: 0.9052831098104503
Energy: 1.1233392245638387
Energy: 0.9052831098104503
Energy: 1.1233392245638387
Energy: 0.9052831098098529
Energy: 0.9054604415296675
Energy: 1.1608031814076443
Energy: 0.9054604415284732
Energy: 1.1608031814106299
Energy: 0.9054604415296675
Energy: 1.1608031814088386
Energy: 1.2093440972758716
Energy: 1.1616748169991031
Energy: 1.2093440972764686
Energy: 1.1616748169985058
Energy: 1.2093440972752743
Energy: 1.1616748169997004
Energy: 0.9878790703409984
Energy: 1.1746096070751
Energy: 0.9878790703409984
Energy: 1.1746096070756973
Energy: 0.9878790703409984
Energy: 1.1746096070756973
Energy: 1.2091312671433854
Energy: 1.1617440281063052
Energy: 1.209131267142788
Energy: 1.1617440281069022
Energy: 1.209131267142788
Energy: 1.161744028105708
Energy: 0.9056671925456866
Energy: 1.1607568266423942
Energy: 0.9056671925450895
Energy: 1.1607568266429915
Energy: 0.9056671925444923
Energy: 1.1607568266435886
Energy: 1.1235433116268712
Energy: 0.9052695807213197
Energy: 1.1235433116268712
Energy: 0.9052695807213197
Energy: 1.1235433116274685
Energy: 0.9052695807213197
Energy: 0.9481089977414949
Energy: 0.9879997368777926
Energy: 0.9481089977420921
Energy: 0.9879997368789869
Energy: 0.9481089977420921
Energy: 0.9879997368789869
Energy: 0.9479398569321024
Energy: 0.9873849825373983
Energy: 0.9479398569309082
Energy: 0.9873849825379956
Energy: 0.9479398569315053
Energy: 0.9873849825385926
Energy: 1.1233392245638387
Energy: 0.9052831098098529
Energy: 1.1233392245632414
Energy: 0.9052831098098529
Energy: 1.1233392245638387
Energy: 0.9052831098098529
Energy: 0.9054604415290705
Energy: 1.1608031814124213
Energy: 0.9054604415296675
Energy: 1.1608031814124213
Energy: 0.9054604415290705
Energy: 1.1608031814118245
Energy: 1.2093440972764686
Energy: 1.1616748169985058
Energy: 1.2093440972764686
Energy: 1.1616748169991031
Energy: 1.2093440972758716
Energy: 1.1616748169967146
Energy: 0.9878790703409984
Energy: 1.1746096070762941
Energy: 0.9878790703409984
Energy: 1.1746096070762941
Energy: 0.9878790703409984
Energy: 1.1746096070768914
Energy: 1.2091312671433854
Energy: 1.1617440281069022
Energy: 1.2091312671439822
Energy: 1.1617440281074995
Energy: 1.2091312671439822
Energy: 1.1617440281063052
Energy: 0.9056671925456866
Energy: 1.1607568266435886
Energy: 0.9056671925456866
Energy: 1.1607568266447827
Energy: 0.9056671925450895
Energy: 1.1607568266447827
Energy: 1.1235433116274685
Energy: 0.9052695807213197
Energy: 1.1235433116268712
Energy: 0.9052695807219168
Energy: 1.1235433116274685
Energy: 0.9052695807213197
Energy: 0.9481089977432864
Energy: 0.9879997368783899
Energy: 0.9481089977438835
Energy: 0.9879997368789869
Energy: 0.9481089977432864
Energy: 0.9879997368795841
Energy: 0.9479398569326996
Energy: 0.9873849825373983
Energy: 0.9479398569326996
Energy: 0.9873849825385926
Energy: 0.9479398569321024
Energy: 0.9873849825385926
Energy: 1.1233392245638387
Energy: 0.9052831098098529
Energy: 1.1233392245638387
Energy: 0.9052831098098529
Energy: 1.1233392245638387
Energy: 0.9052831098098529
Energy: 0.9054604415290705
Energy: 1.1608031814094357
Energy: 0.9054604415290705
Energy: 1.160803181410033
Energy: 0.9054604415290705
Energy: 1.1608031814106299
Energy: 1.2093440972770657
Energy: 1.1616748169997004
Energy: 1.2093440972770657
Energy: 1.1616748169997004
Energy: 1.2093440972770657
Energy: 1.1616748170008944
Energy: 0.9878790703409984
Energy: 1.1746096070768914
Energy: 0.9878790703409984
Energy: 1.1746096070774885
Energy: 0.9878790703409984
Energy: 1.1746096070774885
Energy: 1.2091312671433854
Energy: 1.161744028105708
Energy: 1.209131267142788
Energy: 1.161744028105708
Energy: 1.2091312671439822
Energy: 1.1617440281063052
Energy: 0.9056671925462836
Energy: 1.1607568266447827
Energy: 0.9056671925450895
Energy: 1.1607568266435886
Energy: 0.9056671925450895
Energy: 1.1607568266447827

minimum gb energy = 0.9052695807213197 eV
minimum distance =  2.32128889156271 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.9652716726582892
Energy: 0.9098510068483664
Energy: 0.9652716726582892
Energy: 0.9098510068483664
Energy: 0.9652716726582892
Energy: 0.9098510068483664
Energy: 1.1615450097332047
Energy: 0.9760154586863148
Energy: 1.161545009731742
Energy: 0.9760154586863148
Energy: 1.161545009731742
Energy: 0.9760154586863148
Energy: 0.8580381439669074
Energy: 1.1674795356657983
Energy: 0.8580381439669074
Energy: 1.1674795356657983
Energy: 0.8580381439669074
Energy: 1.1674795356657983
Energy: 1.0411882065939235
Energy: 0.8842584712620768
Energy: 1.041188206592461
Energy: 0.8842584712620768
Energy: 1.0411882065939235
Energy: 0.8842584712620768
Energy: 1.0622939422310504
Energy: 0.8843833042668413
Energy: 1.0622939422295876
Energy: 0.8843833042668413
Energy: 1.0622939422295876
Energy: 0.8843833042668413
Energy: 1.0427408716832347
Energy: 1.1232720440068635
Energy: 1.0427408716832347
Energy: 1.1232720440068635
Energy: 1.0427408716846975
Energy: 1.1232720440068635
Energy: 0.9199391260493155
Energy: 0.9419700329498609
Energy: 0.9199391260478528
Energy: 0.9419700329483983
Energy: 0.9199391260478528
Energy: 0.9419700329498609
Energy: 0.9636288727153259
Energy: 0.9842485728489447
Energy: 0.9636288727153259
Energy: 0.9842485728489447
Energy: 0.9636288727153259
Energy: 0.9842485728474821
Energy: 1.151068009223179
Energy: 0.9195845152295147
Energy: 1.151068009223179
Energy: 0.9195845145862378
Energy: 1.151068009223179
Energy: 0.9195845138712899
Energy: 1.0150941903211754
Energy: 1.119984799842509
Energy: 1.0150941903211754
Energy: 1.119984799683144
Energy: 1.0150941903226378
Energy: 1.1199847997153232
Energy: 0.9176794749615618
Energy: 0.884382371680029
Energy: 0.9176794749615618
Energy: 0.884382371680029
Energy: 0.9176794749600992
Energy: 0.884382371680029
Energy: 1.0933240162790723
Energy: 1.1032318393228029
Energy: 1.0933240162790723
Energy: 1.1032318393242657
Energy: 1.0933240162790723
Energy: 1.1032318393242657

minimum gb energy = 0.8580381439669074 eV
minimum distance =  2.32629458772194 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.9440097434933331
Energy: 0.8243229023150833
Energy: 0.9440097434925111
Energy: 0.8243229023150833
Energy: 0.944009743493744
Energy: 0.8243229023154942
Energy: 0.9501131818762064
Energy: 0.8086349115060874
Energy: 0.9501131818713121
Energy: 0.8086349115060874
Energy: 0.9501131818474755
Energy: 0.8086349115064982
Energy: 0.7961019858072137
Energy: 1.0939544823017304
Energy: 0.7961019858072137
Energy: 1.0939544823177585
Energy: 0.7961019858084465
Energy: 1.0939544823157037
Energy: 0.8533544420381595
Energy: 0.8372905409574212
Energy: 0.8533544420377484
Energy: 0.8372905409582432
Energy: 0.8533544420381595
Energy: 0.8372905409578323
Energy: 0.8413700165581405
Energy: 0.8240701966024434
Energy: 0.8413700165581405
Energy: 0.8240701966040873
Energy: 0.8413700165564966
Energy: 0.8240701966032654
Energy: 0.909831143683626
Energy: 0.8705382345235343
Energy: 0.9098311436819821
Energy: 0.8705382345251782
Energy: 0.9098311436815713
Energy: 0.8705382345227124
Energy: 0.8693338647428436
Energy: 0.9615779871057109
Energy: 0.8693338647202399
Energy: 0.9615779871065329
Energy: 0.8693338647243496
Energy: 0.9615779871052998
Energy: 0.795419447645989
Energy: 0.8624020732854877
Energy: 0.795419447645989
Energy: 0.8624020732846657
Energy: 0.795419447645989
Energy: 0.8624020732854877
Energy: 1.0540525941445669
Energy: 0.8245030056519155
Energy: 1.0540525941511425
Energy: 0.8245030056519155
Energy: 1.0540525941396353
Energy: 0.8245030056510937
Energy: 0.8589257137856064
Energy: 1.0706466778484616
Energy: 0.8589257137847844
Energy: 1.0706466778488728
Energy: 0.8589257137851953
Energy: 1.0706466778505168
Energy: 0.855566751842847
Energy: 0.8317630399544885
Energy: 0.8555667518444909
Energy: 0.8317630399548994
Energy: 0.8555667518444909
Energy: 0.8317630399548994
Energy: 0.7928612658662604
Energy: 0.8805604553571964
Energy: 0.7928612658666715
Energy: 0.8805604553584293
Energy: 0.7928612658666715
Energy: 0.8805604553580184
Energy: 0.9612852529711883
Energy: 0.8545467480807558
Energy: 0.9612852529276248
Energy: 0.8545467480807558
Energy: 0.9612852529670783
Energy: 0.8545467480799339
Energy: 0.9428730374034946
Energy: 1.0929065703531926
Energy: 0.9428730374026725
Energy: 1.0929065703515488
Energy: 0.9428730374034946
Energy: 1.0929065703564804
Energy: 0.8201267310856688
Energy: 0.9133998801528821
Energy: 0.8201267310848468
Energy: 0.9133998801541151
Energy: 0.8201267310852579
Energy: 0.9133998801520975
Energy: 1.1488209239634757
Energy: 0.8929387120684972
Energy: 1.1488209239634757
Energy: 0.8929387120668534
Energy: 1.1488209239642975
Energy: 0.8929387120684972
Energy: 1.0244964744564733
Energy: 0.8298792387327136
Energy: 1.0244964744568843
Energy: 0.8298792165207141
Energy: 1.0244964744564733
Energy: 0.8298791669051219
Energy: 0.8411390199745428
Energy: 0.8362583611650963
Energy: 0.8411390199741319
Energy: 0.8362583611655072
Energy: 0.8411390199741319
Energy: 0.8362583611650963
Energy: 0.7996865159264044
Energy: 1.1022127363256877
Energy: 0.7996865159259932
Energy: 1.1022127363277427
Energy: 0.7996865159259932
Energy: 1.1022127363297973
Energy: 1.0321237989694667
Energy: 0.756378969224426
Energy: 1.0321237989694667
Energy: 0.7563789692145626
Energy: 1.0321237989686447
Energy: 0.7563789692178504
Energy: 0.7997861144126304
Energy: 1.1018361766595608
Energy: 0.7997861144126304
Energy: 1.1018361766636708
Energy: 0.7997861144126304
Energy: 1.101836176661616
Energy: 0.8411282738925477
Energy: 0.8366888871753538
Energy: 0.8411282738913147
Energy: 0.8366888871757647
Energy: 0.8411282738917257
Energy: 0.8366888871757647
Energy: 1.0247872130572118
Energy: 0.8295714106276
Energy: 1.0247872130576225
Energy: 0.8295713815964316
Energy: 1.0247872130572118
Energy: 0.829571360818924
Energy: 1.1490651256160997
Energy: 0.9119768800446095
Energy: 1.149065125615278
Energy: 0.9119768800458424
Energy: 1.149065125615689
Energy: 0.9119768800421437
Energy: 0.8203239494029935
Energy: 0.9133694104076229
Energy: 0.8203239494034044
Energy: 0.9133694104043351
Energy: 0.8203239494029935
Energy: 0.9133694104076229
Energy: 0.9431768564717655
Energy: 0.9129495036243751
Energy: 0.9431768564717655
Energy: 0.912949503624786
Energy: 0.9431768564709436
Energy: 0.9129495036206764
Energy: 0.9616818885693036
Energy: 0.854657335659833
Energy: 0.9616818885701255
Energy: 0.8546573356586
Energy: 0.9616818885717694
Energy: 0.8546573356590111
Energy: 0.7932364635899659
Energy: 0.8671856049067757
Energy: 0.793236463588322
Energy: 0.8671856049092416
Energy: 0.7932364635887331
Energy: 0.8671856049084196
Energy: 0.8550991025818644
Energy: 0.8318427657995727
Energy: 0.8550991025822754
Energy: 0.8318427657991616
Energy: 0.8550991025826863
Energy: 0.8318427657991616
Energy: 0.8588771338969603
Energy: 0.8971594659887813
Energy: 0.8588771338953164
Energy: 0.8971594365044936
Energy: 0.8588771338953164
Energy: 0.8971594007260393
Energy: 1.0647060803809125
Energy: 0.8242641314093855
Energy: 1.0647060801147497
Energy: 0.8242641314085635
Energy: 1.064706080374748
Energy: 0.8242641314089745
Energy: 0.7953516659862288
Energy: 0.8603149343829102
Energy: 0.7953516659862288
Energy: 0.8603149343820883
Energy: 0.7953516659862288
Energy: 0.8603149343837322
Energy: 0.8690074987605191
Energy: 0.9147272182501021
Energy: 0.869007498757642
Energy: 0.9147272176597918
Energy: 0.8690074987580532
Energy: 0.9147272171196202
Energy: 0.9097453951840538
Energy: 0.8718838147457861
Energy: 0.9097453951873414
Energy: 0.8718838147449642
Energy: 0.9097453951848756
Energy: 0.871883814746197
Energy: 0.8413265393757164
Energy: 0.8242108534909652
Energy: 0.8413265393724286
Energy: 0.8242108534909652
Energy: 0.8413265393761273
Energy: 0.8242108534909652
Energy: 0.8531874392492405
Energy: 0.8376950690262919
Energy: 0.8531874392496517
Energy: 0.837695069026703
Energy: 0.8531874392492405
Energy: 0.837695069025881
Energy: 0.7956944936915274
Energy: 1.0941059732087013
Energy: 0.7956944936931714
Energy: 1.0941059731922622
Energy: 0.7956944936931714
Energy: 1.094105973193084
Energy: 0.9498855777185173
Energy: 0.808144876069893
Energy: 0.9498855777255039
Energy: 0.8081448760690714
Energy: 0.9498855777061881
Energy: 0.8081448760686603
Energy: 0.944009743493744
Energy: 0.8243229023154942
Energy: 0.944009743494155
Energy: 0.8243229023163161
Energy: 0.9440097434933331
Energy: 0.8243229023163161
Energy: 0.9501131818491194
Energy: 0.803596554866379
Energy: 0.9501131818429547
Energy: 0.803596554866379
Energy: 0.9501131818425438
Energy: 0.80359655486679
Energy: 0.7961019858076246
Energy: 1.093954482307073
Energy: 0.7961019858072137
Energy: 1.0939544823046072
Energy: 0.7961019858080356
Energy: 1.0939544823074843
Energy: 0.8533544420377484
Energy: 0.8372905409578323
Energy: 0.8533544420377484
Energy: 0.8372905409574212
Energy: 0.8533544420377484
Energy: 0.8372905409578323
Energy: 0.8413700165581405
Energy: 0.8240701966032654
Energy: 0.8413700165589624
Energy: 0.8240701966024434
Energy: 0.8413700165581405
Energy: 0.8240701966028543

minimum gb energy = 0.7563789692145626 eV
minimum distance =  2.36589831191017 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.41770415406552464
Energy: 0.4272773949658107
Energy: 0.41770415406552464
Energy: 0.4272773949648751
Energy: 0.41770415406552464
Energy: 0.4272773949648751
Energy: 0.5600645352998426
Energy: 0.566811252231406
Energy: 0.5600645352998426
Energy: 0.566811252231406
Energy: 0.5600645352998426
Energy: 0.5668112522323416
Energy: 0.4768617823680928
Energy: 0.5285727037582009
Energy: 0.47686178237089943
Energy: 0.5285727037563298
Energy: 0.47686178237183485
Energy: 0.5285727037563298
Energy: 0.42882223281630705
Energy: 0.417720435874068
Energy: 0.42882223281537163
Energy: 0.41772043587219687
Energy: 0.42882223281537163
Energy: 0.41772043587219687
Energy: 0.560236494467794
Energy: 0.5637460306500984
Energy: 0.560236494467794
Energy: 0.5637460306500984
Energy: 0.560236494467794
Energy: 0.5637460306500984
Energy: 0.41788826944695845
Energy: 0.4762814286849015
Energy: 0.417888269447894
Energy: 0.4762814286849015
Energy: 0.41788826944695845
Energy: 0.4762814286849015
Energy: 0.41817272844690256
Energy: 0.47619720211547684
Energy: 0.4181727284478381
Energy: 0.47619720211547684
Energy: 0.4181727284478381
Energy: 0.47619720211547684
Energy: 0.5605786388000901
Energy: 0.5637463736179202
Energy: 0.5605786387991546
Energy: 0.5637463736169847
Energy: 0.5605786387991546
Energy: 0.5637463736179202
Energy: 0.42900652932270095
Energy: 0.41771545236200625
Energy: 0.42900652932270095
Energy: 0.41771545236200625
Energy: 0.42900652932270095
Energy: 0.4177154523629418
Energy: 0.4767750422848748
Energy: 0.5286359480639629
Energy: 0.4767750422839392
Energy: 0.5286359480639629
Energy: 0.4767750422848748
Energy: 0.5286359480639629
Energy: 0.5599614563016618
Energy: 0.5666384476040399
Energy: 0.5599614563016618
Energy: 0.566638447607782
Energy: 0.5599614563016618
Energy: 0.5666384476049755
Energy: 0.41770415406552464
Energy: 0.4272773949658107
Energy: 0.41770415406552464
Energy: 0.4272773949658107
Energy: 0.41770415406646016
Energy: 0.4272773949658107
Energy: 0.5600645352989069
Energy: 0.5668112522323416
Energy: 0.5600645352998426
Energy: 0.5668112522323416
Energy: 0.5600645352998426
Energy: 0.5668112522332771
Energy: 0.47686178237183485
Energy: 0.5285727037572653
Energy: 0.47686178237183485
Energy: 0.5285727037591363
Energy: 0.47686178237089943
Energy: 0.5285727037591363
Energy: 0.42882223281537163
Energy: 0.41772043587126134
Energy: 0.42882223281443604
Energy: 0.41772043587126134
Energy: 0.42882223281537163
Energy: 0.41772043587313246
Energy: 0.560236494467794
Energy: 0.5637460306500984
Energy: 0.560236494467794
Energy: 0.5637460306500984
Energy: 0.560236494467794
Energy: 0.5637460306500984
Energy: 0.417888269447894
Energy: 0.47628142868396595
Energy: 0.41788826944695845
Energy: 0.47628142868396595
Energy: 0.417888269447894
Energy: 0.4762814286830304
Energy: 0.4181727284478381
Energy: 0.47619720211547684
Energy: 0.4181727284450315
Energy: 0.47619720211454136
Energy: 0.4181727284478381
Energy: 0.47619720211547684
Energy: 0.5605786387991546
Energy: 0.5637463736169847
Energy: 0.5605786388000901
Energy: 0.5637463736169847
Energy: 0.5605786388000901
Energy: 0.5637463736169847

minimum gb energy = 0.41770415406552464 eV
minimum distance =  2.42003533373736 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.7092786039247836
Energy: 0.8808801904663907
Energy: 0.7092786039247836
Energy: 0.8808801904657053
Energy: 0.7092786039240982
Energy: 0.8808801904663907
Energy: 0.8778468737508353
Energy: 0.8501888526573109
Energy: 0.8778468737227382
Energy: 0.8501888526573109
Energy: 0.8778468737316469
Energy: 0.8501888526573109
Energy: 0.8995487605806078
Energy: 1.0609909229393715
Energy: 0.8995487605840343
Energy: 1.0609909229366303
Energy: 0.8995487605799226
Energy: 1.0609909229352599
Energy: 0.9849292338992076
Energy: 0.6503144945187315
Energy: 0.9849292338998928
Energy: 0.6503144945187315
Energy: 0.9849292339019489
Energy: 0.6503144945187315
Energy: 0.8477510910904423
Energy: 0.642241639009742
Energy: 0.8477510910911277
Energy: 0.642241639009742
Energy: 0.8477510910911277
Energy: 0.6422416390104273
Energy: 0.8501519156868086
Energy: 0.7380218290741131
Energy: 0.8501519156861234
Energy: 0.7380218290720572
Energy: 0.8501519156874939
Energy: 0.7380218290734278
Energy: 0.6167345543356627
Energy: 1.0768272991984806
Energy: 0.6167345543370332
Energy: 1.0768272991984806
Energy: 0.6167345543377185
Energy: 1.0768272991984806
Energy: 0.953815872771807
Energy: 0.6072434936541155
Energy: 0.9538158727711217
Energy: 0.6072434936534302
Energy: 0.953815872771807
Energy: 0.6072434936541155
Energy: 0.9106943271116774
Energy: 0.6129331086231824
Energy: 0.9106943271123626
Energy: 0.6129331086231824
Energy: 0.9106943271103067
Energy: 0.6129331086231824
Energy: 0.6244385421584835
Energy: 1.0893543198342646
Energy: 0.6244385421584835
Energy: 1.0893543198335793
Energy: 0.6244385421612247
Energy: 1.089354319832894
Energy: 1.0497224748198586
Energy: 0.950960712080727
Energy: 1.049722474820544
Energy: 0.9509607120793564
Energy: 1.0497224748191734
Energy: 0.9509607120793564
Energy: 0.8474205763838459
Energy: 0.6251015706428975
Energy: 0.8474205763838459
Energy: 0.6251015706291916
Energy: 0.8474205763838459
Energy: 0.6251015706271358
Energy: 0.9505070209248645
Energy: 0.6343626747200379
Energy: 0.9505070209248645
Energy: 0.6343626747193527
Energy: 0.9505070209255497
Energy: 0.6343626747118144
Energy: 0.886382598855384
Energy: 1.1822108009464973
Energy: 0.886382598855384
Energy: 1.1822108009451269
Energy: 0.886382598855384
Energy: 1.182210800945812
Energy: 1.0969171610886521
Energy: 0.8518449363912407
Energy: 1.0969171610893378
Energy: 0.8518449363905555
Energy: 1.0969171610872817
Energy: 0.8518449363905555
Energy: 0.7101492187992486
Energy: 0.8806828055552489
Energy: 0.7101492187992486
Energy: 0.8806828055525077
Energy: 0.7101492188006192
Energy: 0.8806828055552489
Energy: 0.8148281071507675
Energy: 0.8514560875289645
Energy: 0.814828107154194
Energy: 0.8514560875282792
Energy: 0.8148281071507675
Energy: 0.8514560875289645
Energy: 1.1291834058736756
Energy: 1.0880906135217598
Energy: 1.1291834058729904
Energy: 1.0880906135258717
Energy: 1.1291834058729904
Energy: 1.0880906135292359
Energy: 0.9807191978363806
Energy: 0.6448643950184576
Energy: 0.9807191978370658
Energy: 0.6448643950177724
Energy: 0.9807191978370658
Energy: 0.6448643950177724
Energy: 0.8477531447495827
Energy: 0.8240449017406016
Energy: 0.847753144750268
Energy: 0.824044901739231
Energy: 0.8477531447495827
Energy: 0.8240449017399163
Energy: 0.6272201122033735
Energy: 0.7411635058655971
Energy: 0.6272201122033735
Energy: 0.7411635058655971
Energy: 0.6272201122040587
Energy: 0.7411635058642264
Energy: 0.9053015070019634
Energy: 1.064194422287179
Energy: 0.9053015070012781
Energy: 1.0641944222864936
Energy: 0.9053015070005928
Energy: 1.064194422287179
Energy: 0.7524833043698816
Energy: 0.8211391023076945
Energy: 0.7524833043678258
Energy: 0.8211391023083798
Energy: 0.7524833043678258
Energy: 0.8211391023076945
Energy: 0.9270280355272387
Energy: 0.7469808909523297
Energy: 0.9270280355272387
Energy: 0.7469808909523297
Energy: 0.9270280355272387
Energy: 0.7469808909523297
Energy: 0.6279142327127099
Energy: 1.0931880413158606
Energy: 0.6279142327127099
Energy: 1.09318804131449
Energy: 0.6279142327127099
Energy: 1.09318804131449
Energy: 1.3109519998478256
Energy: 0.9564238755319285
Energy: 1.3109519998464552
Energy: 0.9564238755319285
Energy: 1.3109519998464552
Energy: 0.9564238755319285

minimum gb energy = 0.6072434936534302 eV
minimum distance =  2.34135224364661 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.7941968206913367
Energy: 0.7306997087682975
Energy: 0.7941968206902564
Energy: 0.7306997087677574
Energy: 0.7941968206907966
Energy: 0.7306997087682975
Energy: 0.9463700120947706
Energy: 1.1018083222154995
Energy: 0.9463700120926101
Energy: 1.1018083222154995
Energy: 0.9463700120909896
Energy: 1.1018083222154995
Energy: 1.0736447194862813
Energy: 0.792973333512649
Energy: 1.0736447194862813
Energy: 0.792973333512649
Energy: 1.0736447194841208
Energy: 0.7929733335110285
Energy: 0.8642706250064774
Energy: 0.6965676384721559
Energy: 0.8642706250053972
Energy: 0.6965676384721559
Energy: 0.8642706250064774
Energy: 0.6965676384721559
Energy: 0.7060649795551611
Energy: 0.7635928680414303
Energy: 0.7060649795562414
Energy: 0.7635928680408902
Energy: 0.7060649795557011
Energy: 0.7635928680408902
Energy: 0.9913994032757466
Energy: 1.0812347434545706
Energy: 0.9913994032757466
Energy: 1.0812347434545706
Energy: 0.9913994032757466
Energy: 1.0812347434545706
Energy: 0.6678431657422025
Energy: 1.0484501860205877
Energy: 0.6678431657432827
Energy: 1.0484501860200477
Energy: 0.6678431657427426
Energy: 1.0484501860168067
Energy: 0.648009863011404
Energy: 0.6965276131062734
Energy: 0.6480098630119442
Energy: 0.6965276131068137
Energy: 0.6480098630124843
Energy: 0.6965276131068137
Energy: 0.644432122558007
Energy: 0.7555876399634699
Energy: 0.6444321225358619
Energy: 0.7555876399634699
Energy: 0.6444321225769115
Energy: 0.7555876399634699
Energy: 0.7137888897745933
Energy: 1.1902333191204846
Energy: 0.7137888897740531
Energy: 1.1902333191199446
Energy: 0.7137888897751333
Energy: 1.1902333191204846
Energy: 0.7146561073348442
Energy: 1.1851430071332982
Energy: 0.7146561073348442
Energy: 1.1851430071332982
Energy: 0.7146561073364647
Energy: 1.1851430071332982
Energy: 0.6447289716787203
Energy: 1.0381484842775655
Energy: 0.6447289716787203
Energy: 1.0381484842770252
Energy: 0.6447289716798006
Energy: 1.0381484842775655
Energy: 0.6479011079224853
Energy: 0.6976543815056689
Energy: 0.6479011079268064
Energy: 0.6976543815051288
Energy: 0.6479011079667759
Energy: 0.6976543815051288
Energy: 0.6260913953801093
Energy: 1.0473971187234166
Energy: 0.6260913953795693
Energy: 1.0473971187223363
Energy: 0.6260913953801093
Energy: 1.0473971187239566
Energy: 0.715057334247713
Energy: 1.0827212662290675
Energy: 0.715057334247713
Energy: 1.0827212662295584
Energy: 0.7150573342471728
Energy: 1.0827212662285275
Energy: 0.6282997104662374
Energy: 1.0278960035759508
Energy: 0.6282997104662374
Energy: 1.0278960035759508
Energy: 0.6282997104662374
Energy: 1.0278960035754108
Energy: 0.6550934578561745
Energy: 0.697719333637343
Energy: 0.6550934578572547
Energy: 0.6977193336378831
Energy: 0.6550934578572547
Energy: 0.6977193336378831
Energy: 0.9573216930814966
Energy: 1.0985427859088668
Energy: 0.9573216930814966
Energy: 1.0985427859104873
Energy: 0.9573216930820369
Energy: 1.098542785909947
Energy: 0.9467991127551572
Energy: 1.0973525694532245
Energy: 0.9467991127551572
Energy: 1.0973525694526842
Energy: 0.9467991127551572
Energy: 1.0973525694532245
Energy: 0.715510953358204
Energy: 0.8216381339490415
Energy: 0.715510953358204
Energy: 0.8216381339501218
Energy: 0.7155109533576639
Energy: 0.8216381339495815
Energy: 0.654689400533578
Energy: 0.994554802252301
Energy: 0.654689400533038
Energy: 0.9945548022506805
Energy: 0.6546894005346584
Energy: 0.994554802252301
Energy: 1.0380179492431707
Energy: 1.344488830968075
Energy: 1.0380179492415504
Energy: 1.3444888309691552
Energy: 1.0380179492415504
Energy: 1.3444888309669947
Energy: 0.865674090701842
Energy: 0.7053955285984329
Energy: 0.865674090701302
Energy: 0.7053955285989731
Energy: 0.865674090701842
Energy: 0.7053955285984329
Energy: 0.6285736380996196
Energy: 1.0188233494492065
Energy: 0.6285736380990795
Energy: 0.8743525452976997
Energy: 0.6285736380963789
Energy: 0.8743525452982396
Energy: 0.6265876217600949
Energy: 1.1156569183408116
Energy: 0.6265876217600949
Energy: 1.1156569183413518
Energy: 0.626587621760635
Energy: 1.1156569183408116
Energy: 0.6681852795852176
Energy: 1.0294887716541563
Energy: 0.6681852795857577
Energy: 1.029488771653616
Energy: 0.6681852795852176
Energy: 1.029488771653616
Energy: 0.6468200669272482
Energy: 0.6967100582982544
Energy: 0.646820066926168
Energy: 0.6967100582987944
Energy: 0.646820066926168
Energy: 0.6967100582987944
Energy: 0.708671271464651
Energy: 0.8691470897729723
Energy: 0.7086712714641108
Energy: 0.8691470897735123
Energy: 0.708671271464651
Energy: 0.8691470897729723
Energy: 0.7144193501899263
Energy: 0.9709234280585285
Energy: 0.7144193501904664
Energy: 0.9709234280520469
Energy: 0.7144193501899263
Energy: 0.9709234280563679
Energy: 1.0378690266372936
Energy: 1.0031238389969153
Energy: 1.0378690266389141
Energy: 1.0031238389974555
Energy: 1.037869026637834
Energy: 1.0031238389969153
Energy: 0.6443207955928505
Energy: 0.9472903842080994
Energy: 0.6443207955928505
Energy: 0.9472903842086394
Energy: 0.6443207955939309
Energy: 0.9472903842086394
Energy: 0.7115462432936573
Energy: 0.7695326962093242
Energy: 0.7115462432936573
Energy: 0.7695326962093242
Energy: 0.7115462432941975
Energy: 0.7695326962093242
Energy: 0.6266805921948639
Energy: 0.9033879707319276
Energy: 0.6266805921954042
Energy: 0.9033879707330078
Energy: 0.6266805921948639
Energy: 0.9033879707319276

minimum gb energy = 0.6260913953795693 eV
minimum distance =  2.33946764822075 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.8272288422281918
Energy: 0.7287507605882896
Energy: 0.8272288422270201
Energy: 0.7287507605867733
Energy: 0.82722884222895
Energy: 0.7287507605841543
Energy: 0.789989400709478
Energy: 0.6314537185159012
Energy: 0.7899894007117524
Energy: 0.6314537185170039
Energy: 0.7899894007113388
Energy: 0.6314537185174174
Energy: 1.0630170079659433
Energy: 1.177723546435764
Energy: 1.0630170079640135
Energy: 1.1777235464354194
Energy: 1.0630170079647718
Energy: 1.1777235464387967
Energy: 0.7042624120811953
Energy: 0.6778701677755221
Energy: 0.7042624120796791
Energy: 0.6778701677755221
Energy: 0.7042624120804372
Energy: 0.6778701677755221
Energy: 0.7709672873138355
Energy: 0.6780167012231962
Energy: 0.770967287313422
Energy: 0.6780167012262287
Energy: 0.7709672873138355
Energy: 0.6780167012197501
Energy: 1.133124865831032
Energy: 0.6984620541460236
Energy: 1.1331248658287576
Energy: 0.6984620541517439
Energy: 1.133124865830274
Energy: 0.6984620541494696
Energy: 0.6821713979231735
Energy: 0.7534894920700207
Energy: 0.6821713979231735
Energy: 0.7534894920681597
Energy: 0.6821713979239318
Energy: 0.7534894920651272
Energy: 0.732160456328885
Energy: 0.7043457234055421
Energy: 0.7321604563284716
Energy: 0.7043457234074719
Energy: 0.7321604563292298
Energy: 0.7043457234070583
Energy: 1.1455539420563254
Energy: 0.7544906840994225
Energy: 1.1455539420563254
Energy: 0.7544906840990091
Energy: 1.1455539420559122
Energy: 0.7544906840997672
Energy: 1.2085309998203486
Energy: 0.6510903658766646
Energy: 1.208530999819246
Energy: 0.6510903658774227
Energy: 1.2085309998188325
Energy: 0.6510903658777674
Energy: 0.7430803354466318
Energy: 0.738671200041232
Energy: 0.7430803354504225
Energy: 0.7386712000415766
Energy: 0.7430803354496643
Energy: 0.7386712000415766
Energy: 1.328584845624487
Energy: 0.6775793150353339
Energy: 1.3285848456241425
Energy: 0.6775793150391246
Energy: 1.3285848456249005
Energy: 0.6775793150394691
Energy: 0.76257437329963
Energy: 1.147451112738463
Energy: 0.7625743732961839
Energy: 1.1474511127407374
Energy: 0.7625743732923932
Energy: 1.1474511127441147
Energy: 0.7029457398114675
Energy: 0.732019636616043
Energy: 0.7029457398095377
Energy: 0.7320196366168011
Energy: 0.7029457398107093
Energy: 0.7320196366156295
Energy: 0.7236303536059323
Energy: 0.6772198336075279
Energy: 0.7236303536062768
Energy: 0.6772198336093888
Energy: 0.7236303536070351
Energy: 0.6772198336078725
Energy: 0.6988001769336947
Energy: 1.1126866875027641
Energy: 0.6988001769329365
Energy: 1.1126866875092427
Energy: 0.6988001769329365
Energy: 1.1126866874895314
Energy: 0.6935605608651353
Energy: 0.6814230632066065
Energy: 0.6935605608663069
Energy: 0.6814230632054348
Energy: 0.6935605608678233
Energy: 0.6814230632005414
Energy: 0.6988867275501904
Energy: 0.703630579605282
Energy: 0.6988867275509485
Energy: 0.7036305796033523
Energy: 0.6988867275506039
Energy: 0.7036305795984589
Energy: 1.180039495604744
Energy: 1.0641844090393144
Energy: 1.1800394956097067
Energy: 1.0641844090438632
Energy: 1.180039495607432
Energy: 1.0641844090404171
Energy: 1.1507822221070185
Energy: 0.7080372652359624
Energy: 1.1507822221150135
Energy: 0.7080372652363072
Energy: 1.1507822221108095
Energy: 0.708037265238995
Energy: 0.7450180826669077
Energy: 0.7759873681878117
Energy: 0.7450180826680793
Energy: 0.7759873681896725
Energy: 0.7450180826665631
Energy: 0.775987368190086
Energy: 0.6317421396579129
Energy: 0.7950865487359752
Energy: 0.6317421396583265
Energy: 0.79508654873184
Energy: 0.6317421396579129
Energy: 0.7950865487325982
Energy: 0.711907694547467
Energy: 0.6476056280281304
Energy: 0.7119076945478805
Energy: 0.6476056280243397
Energy: 0.7119076945524294
Energy: 0.647605628025856
Energy: 0.6792665303403426
Energy: 0.7060772564008595
Energy: 0.6792665303414452
Energy: 0.706077256395208
Energy: 0.679266530342617
Energy: 0.7060772563944498
Energy: 0.6956239134252262
Energy: 0.6797765664504
Energy: 0.6956239134339791
Energy: 0.6797765664523298
Energy: 0.695623913407031
Energy: 0.6797765664508134
Energy: 0.715248284558911
Energy: 1.1081308424613723
Energy: 0.715248284558911
Energy: 1.1081308424606142
Energy: 0.7152482845584975
Energy: 1.1081308424602698
Energy: 0.7919083640587494
Energy: 0.688346255937602
Energy: 0.7919083640590939
Energy: 0.6883462559364993
Energy: 0.7919083640549586
Energy: 0.6883462559372574
Energy: 0.7755364213691515
Energy: 0.6803688068368603
Energy: 0.7755364213703231
Energy: 0.6803688068349995
Energy: 0.7755364213703231
Energy: 0.6803688068357576
Energy: 0.7089148110262417
Energy: 1.1475442433277814
Energy: 0.7089148111891715
Energy: 1.147544243326265
Energy: 0.7089148108890884
Energy: 1.147544243326265
Energy: 0.6807779559973292
Energy: 1.1835778575535925
Energy: 0.6807779559977427
Energy: 1.1835778575535925
Energy: 0.6807779560011199
Energy: 1.1835778575555225
Energy: 0.7031383343225764
Energy: 0.6924709671090401
Energy: 0.70313833432299
Energy: 0.6924709671086265
Energy: 0.7031383343237482
Energy: 0.6924709671090401
Energy: 0.6782286059864925
Energy: 1.3429834962991762
Energy: 0.678228605986906
Energy: 1.3429834963014506
Energy: 0.6782286059842181
Energy: 1.3429834963029668
Energy: 1.1500187114678537
Energy: 0.699150138733698
Energy: 1.1500187114724028
Energy: 0.699150138733698
Energy: 1.1500187114681983
Energy: 0.6991501387314236
Energy: 0.7369610037135975
Energy: 0.7023260525791686
Energy: 0.7369610037178017
Energy: 0.7023260525711736
Energy: 0.7369610037158719
Energy: 0.7023260525731035
Energy: 0.7471472082691748
Energy: 0.7311537738176639
Energy: 0.747147208270691
Energy: 0.7311537738173193
Energy: 0.7471472082691748
Energy: 0.7311537738169058
Energy: 1.149716343801365
Energy: 0.69909624765829
Energy: 1.1497163438074298
Energy: 0.6990962476548439
Energy: 1.1497163438032945
Energy: 0.6990962476563601
Energy: 0.6786560508444032
Energy: 1.342911972549411
Energy: 0.6786560508448166
Energy: 1.3429119725501693
Energy: 0.6786560508451612
Energy: 1.3429119725483083
Energy: 0.7032359614324428
Energy: 0.6924581388870085
Energy: 0.7032359614351308
Energy: 0.6924581388870085
Energy: 0.7032359614362337
Energy: 0.6924581388870085
Energy: 0.6502923279794922
Energy: 1.1837837295562266
Energy: 0.6502923279825247
Energy: 1.1837837295535387
Energy: 0.6502923279817665
Energy: 1.1837837295565712
Energy: 0.7090868314459717
Energy: 1.1474563780934377
Energy: 0.7090868317998136
Energy: 1.1474563780934377
Energy: 0.7090868318335851
Energy: 1.1474563780919214
Energy: 0.7753890411585068
Energy: 0.6807410359319768
Energy: 0.775389041159265
Energy: 0.680741035933493
Energy: 0.7753890411604367
Energy: 0.6807410359330794
Energy: 0.7920391072463955
Energy: 0.6636722962636504
Energy: 0.7920391072482564
Energy: 0.6636722962628923
Energy: 0.7920391072471537
Energy: 0.6636722962655802
Energy: 0.7153385147484724
Energy: 1.1079558173052528
Energy: 0.7153385147484724
Energy: 1.1079558173064246
Energy: 0.7153385147503333
Energy: 1.1079558173056665
Energy: 0.6957299117064892
Energy: 0.683509347107687
Energy: 0.6957299117069027
Energy: 0.6835093471016219
Energy: 0.6957299117072473
Energy: 0.683509347107687
Energy: 0.6790490399164418
Energy: 0.703808179963771
Energy: 0.6790490399176135
Energy: 0.7038081799466784
Energy: 0.6790490399171999
Energy: 0.7038081799448177
Energy: 1.1045859454589453
Energy: 0.6473189621048158
Energy: 1.10458594545929
Energy: 0.6473189621066766
Energy: 1.104585945463839
Energy: 0.6473189621059184
Energy: 0.6309103986895009
Energy: 0.7956754215734176
Energy: 0.6309103986891564
Energy: 0.7956754215722461
Energy: 0.6309103986906727
Energy: 0.7956754215722461

minimum gb energy = 0.6309103986891564 eV
minimum distance =  2.37329056630297 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.9176967984226525
Energy: 0.785031043620902
Energy: 0.9176967984251859
Energy: 0.785031043620902
Energy: 0.9176967984226525
Energy: 0.785031043620902
Energy: 0.8150876972640044
Energy: 0.6593173706765707
Energy: 0.8150876972640044
Energy: 0.6593173706765707
Energy: 0.8150876972640044
Energy: 0.6593173706765707
Energy: 1.157645258654165
Energy: 0.8720593819571943
Energy: 1.157645258654165
Energy: 0.8720593819571943
Energy: 1.157645258654165
Energy: 0.8720593819571943
Energy: 0.8144757343438104
Energy: 0.6593656271101451
Energy: 0.8144757343438104
Energy: 0.6593656271126785
Energy: 0.8144757343438104
Energy: 0.6593656271126785
Energy: 0.9176967984226525
Energy: 0.785031043620902
Energy: 0.9176967984226525
Energy: 0.785031043620902
Energy: 0.9176967984251859
Energy: 0.785031043620902
Energy: 0.8150876972640044
Energy: 0.6593173706765707
Energy: 0.8150876972640044
Energy: 0.6593173706765707
Energy: 0.8150876972640044
Energy: 0.6593173706765707
Energy: 1.157645258654165
Energy: 0.8720593819571943
Energy: 1.1576452586566985
Energy: 0.8720593819571943
Energy: 1.157645258654165
Energy: 0.8720593819571943

minimum gb energy = 0.6593173706765707 eV
minimum distance =  2.37148843680794 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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Energy: 0.9578803417955642
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Energy: 0.9085815190552536
Energy: 0.8976889065733268
Energy: 0.9080313163613946
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Energy: 0.8608688015380748
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Energy: 0.9606414569149597
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Energy: 0.9606414567874628
Energy: 0.9896604145201002
Energy: 0.8064547159702228
Energy: 0.9896604145201002
Energy: 0.806454715966775
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Energy: 0.8631698921781964
Energy: 1.0030963595746318
Energy: 0.830308160015444
Energy: 1.0031023127165017
Energy: 0.8303081600291717
Energy: 1.0030963595780795
Energy: 0.8303081600360667
Energy: 0.8061584057603601
Energy: 0.9145297330458927
Energy: 0.8088992504168939
Energy: 0.9145297329770045
Energy: 0.8104089564415239
Energy: 0.9145297330734732
Energy: 0.9443798836135171
Energy: 0.9703068300803678
Energy: 0.9443798836135171
Energy: 0.970306830056235
Energy: 0.9443798836135171
Energy: 0.9703068300700252
Energy: 0.9969045585344651
Energy: 0.8954454275182737
Energy: 0.9969045585344651
Energy: 0.8954454275182737
Energy: 0.9969045585413603
Energy: 0.8954454275182737
Energy: 0.8955923806274771
Energy: 0.898001224125168
Energy: 0.9619210340448751
Energy: 0.8980012241182729
Energy: 0.8952806697376261
Energy: 0.8980012241217203

minimum gb energy = 0.7619906084899523 eV
minimum distance =  2.34531355346544 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: 0.9625748780664692
Energy: 1.046640137416325
Energy: 0.9625748780650497
Energy: 1.0466401374158516
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Energy: 0.7113712000416952
Energy: 0.9051467199702501
Energy: 0.7113711999485233
Energy: 0.9051467199693036
Energy: 0.7113711999139816
Energy: 0.9051467199697769
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Energy: 0.7981084909692507
Energy: 1.013925849162949
Energy: 0.7981084909701972
Energy: 1.013925849162949
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Energy: 0.8877975519068877
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Energy: 0.9953712336017038
Energy: 0.8003758555047396
Energy: 0.9953712336026501
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Energy: 0.9953712336017038
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Energy: 0.934393730949856
Energy: 0.9056532929542498
Energy: 0.9343937309479634
Energy: 0.9056532929542498
Energy: 0.9343937309503292
Energy: 0.9011692691971696
Energy: 0.863376144588455
Energy: 0.9011692691976427
Energy: 0.863376144588455
Energy: 0.9011692691976427
Energy: 0.8633761445894013
Energy: 0.8011973745574266
Energy: 0.7922232280844813
Energy: 0.8011973745578999
Energy: 0.791798480871012
Energy: 0.8011973745583729
Energy: 0.7920841064543666
Energy: 0.9444610655756845
Energy: 0.8820413439417181
Energy: 0.9444610655747383
Energy: 0.8820413439412449
Energy: 0.9444610655785236
Energy: 0.8820413439417181
Energy: 0.7965799387329519
Energy: 1.119441372773725
Energy: 0.7965799387320054
Energy: 1.1194413727746713
Energy: 0.7965799387315322
Energy: 1.1194413727803494
Energy: 0.784913544310655
Energy: 0.9026931906120536
Energy: 0.7850769547449069
Energy: 0.9026931906120536
Energy: 0.8117355282273981
Energy: 0.9026931906111073
Energy: 0.9192769400618949
Energy: 0.8796157172012175
Energy: 0.919276940062368
Energy: 0.8796157172016906
Energy: 0.9192769400618949
Energy: 0.8796157172012175
Energy: 0.8457525536631434
Energy: 0.7947290861199061
Energy: 0.8457525536626701
Energy: 0.7947290861203792
Energy: 0.8457525536626701
Energy: 0.7947290861203792

minimum gb energy = 0.7113711999139816 eV
minimum distance =  2.40103723386583 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.158373399325183
Energy: 0.9127606279833056
Energy: 1.158373399325183
Energy: 0.9127606279833056
Energy: 1.158373399325183
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Energy: 0.9802998796047435
Energy: 0.80737095695624
Energy: 0.9802998796029999
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Energy: 0.9602236394688634
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Energy: 0.7923933263589251
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Energy: 0.7830536681613165
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Energy: 1.01298893766925
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Energy: 0.7638751134986023
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Energy: 0.7638751134991835
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Energy: 0.7638751135009271
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Energy: 0.8133115798059757
Energy: 0.8530848224909316
Energy: 0.8133115798042321
Energy: 0.8530848224897694
Energy: 0.8133115798077194
Energy: 0.8530848224903504
Energy: 0.8605069635623085
Energy: 0.8243022826240386
Energy: 0.8605069635623085
Energy: 0.8254812591051647
Energy: 0.8605069635617273
Energy: 0.8259168109764882
Energy: 0.8103655516945606
Energy: 0.806303794400836
Energy: 0.8101816776266632
Energy: 0.806303794400836
Energy: 0.8105769153232143
Energy: 0.8063037944014172
Energy: 0.8967522069283255
Energy: 0.8705608871708532
Energy: 0.896752206938206
Energy: 0.8705608871708532
Energy: 0.8967522069387872
Energy: 0.8705608871702721
Energy: 0.8833362492377992
Energy: 0.8540123576143807
Energy: 0.8833362492116712
Energy: 0.8540123576143807
Energy: 0.883336249188423
Energy: 0.8540123576137993
Energy: 0.9140023217591786
Energy: 0.8061329333185645
Energy: 0.9140022461718751
Energy: 0.8061329333185645
Energy: 0.9140018846988474
Energy: 0.8061329333191456
Energy: 0.8603632105959236
Energy: 0.8286401311651065
Energy: 0.8603632105970859
Energy: 0.8286401311651065
Energy: 0.8603632105953423
Energy: 0.8286401311651065
Energy: 1.016266540054106
Energy: 0.7167334720274958
Energy: 1.016266770216343
Energy: 0.716903479353129
Energy: 1.0162668108543047
Energy: 0.7175060504968518
Energy: 0.7627409066187512
Energy: 1.0041140335947882
Energy: 0.7627409066187512
Energy: 1.0041140335953695
Energy: 0.7627409066199136
Energy: 1.004114033593626
Energy: 1.0093464666808665
Energy: 0.8814884710200367
Energy: 1.0093464666808665
Energy: 0.8814884710211991
Energy: 1.009346466679704
Energy: 0.881488471020618
Energy: 0.8656352089732857
Energy: 0.8457148989426545
Energy: 0.8656352089732857
Energy: 0.8457148989426545
Energy: 0.8656352089738668
Energy: 0.8457148989438169
Energy: 1.041254011066727
Energy: 0.9832925514423153
Energy: 1.041254011066146
Energy: 0.983292551441734
Energy: 1.041254011066146
Energy: 0.9832925514423153
Energy: 0.8346798907775183
Energy: 0.8070301586386855
Energy: 0.8346798907780995
Energy: 0.8070301586381045
Energy: 0.8346798907769372
Energy: 0.8070301586386855
Energy: 0.8150689821212665
Energy: 0.765151572116799
Energy: 0.8092121513318504
Energy: 0.7651515721179614
Energy: 0.8153480519940531
Energy: 0.7651515721226111
Energy: 0.8659137916341296
Energy: 0.8562159235705745
Energy: 0.8659137916341296
Energy: 0.8562159226340912
Energy: 0.8659137916341296
Energy: 0.8562159233591209
Energy: 1.0424733430269408
Energy: 0.9611172274641397
Energy: 1.0424733430275221
Energy: 0.9611172274641397
Energy: 1.0424733430269408
Energy: 0.9611172274629772
Energy: 0.8323353605736727
Energy: 0.8849319349879936
Energy: 0.8323353472728231
Energy: 0.8849319349891561
Energy: 0.8323353031607744
Energy: 0.8849319349885748

minimum gb energy = 0.7167334720274958 eV
minimum distance =  2.3683867216585 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.0046151437183348
Energy: 0.8495070419783441
Energy: 1.0046151437183348
Energy: 0.8495070419790965
Energy: 1.0046151437220976
Energy: 0.8495070419783441
Energy: 0.9005362208371451
Energy: 0.7333546609073992
Energy: 0.9005362208348874
Energy: 0.7333546609066467
Energy: 0.9005362208356399
Energy: 0.7333546609073992
Energy: 0.815911359483794
Energy: 1.0153124730322067
Energy: 0.8159113594852992
Energy: 1.0153124730299832
Energy: 0.8159113594845466
Energy: 1.015312473030736
Energy: 1.0726915343795052
Energy: 0.7371510107850977
Energy: 1.0726915343787526
Energy: 0.8550056832230218
Energy: 1.0726915343787526
Energy: 0.7369288442267471
Energy: 0.9878709633802149
Energy: 0.8668700744493724
Energy: 0.9878709633809672
Energy: 0.8668589777892782
Energy: 0.9878709633809672
Energy: 0.8668522920392677
Energy: 0.8241152719039309
Energy: 0.7307997096451232
Energy: 0.8241152719061886
Energy: 0.7307997096451232
Energy: 0.8241152719046837
Energy: 0.7307997096451232
Energy: 0.816712828795985
Energy: 1.0088911138214487
Energy: 0.8167128287831918
Energy: 1.008891113822201
Energy: 0.8167128287929748
Energy: 1.0088911138214487
Energy: 0.9039627622685054
Energy: 0.8456480368031272
Energy: 0.9039627622700106
Energy: 0.8456480368031272
Energy: 0.9039627622670005
Energy: 0.8456480368023748
Energy: 0.9557266802405705
Energy: 0.7314129705112372
Energy: 0.955726680239818
Energy: 0.7314129705104847
Energy: 0.9557266802405705
Energy: 0.7314129705097322
Energy: 0.6666887311268678
Energy: 0.9011267236531912
Energy: 0.6666887311268678
Energy: 0.9011267236531912
Energy: 0.6666887311268678
Energy: 0.9011267236531912
Energy: 0.8948176913645247
Energy: 0.8508098786364572
Energy: 0.8948176913637723
Energy: 0.8508098786372096
Energy: 0.8948176913637723
Energy: 0.8508098786357047
Energy: 0.8953667265970042
Energy: 1.0334920670834986
Energy: 0.8953667265285574
Energy: 1.0334920670827805
Energy: 0.8953667265593772
Energy: 1.0334920670827805
Energy: 0.7793534231077062
Energy: 0.7313258910703642
Energy: 0.7793527615660409
Energy: 0.7313258910711167
Energy: 0.7793516548018322
Energy: 0.7313258910703642
Energy: 0.8976027904772402
Energy: 0.841987977210477
Energy: 0.8976027902922183
Energy: 0.8419879772082194
Energy: 0.8976027903907324
Energy: 0.8419879772097245
Energy: 0.7800162441369309
Energy: 0.7342464854800851
Energy: 0.7800162441406594
Energy: 0.7342464854808376
Energy: 0.7800162441023142
Energy: 0.7342464854800851
Energy: 0.936551477940524
Energy: 0.8725475210117476
Energy: 0.936551477940524
Energy: 0.8725475210117476
Energy: 0.936551477940524
Energy: 0.872547521010995
Energy: 0.6653652801049491
Energy: 0.9008616326242468
Energy: 0.665365280103444
Energy: 0.9008616326249995
Energy: 0.665365280103444
Energy: 0.9008616326242468
Energy: 0.8935263305071265
Energy: 0.7881376734588383
Energy: 0.893526330507879
Energy: 0.788137673459591
Energy: 0.8935263305071265
Energy: 0.7881376734588383
Energy: 0.6651244400805507
Energy: 0.9009202973904489
Energy: 0.6651244400805507
Energy: 0.9009202973904489
Energy: 0.6651244400805507
Energy: 0.9009202973889439
Energy: 0.9363526432276852
Energy: 0.8729987062444167
Energy: 0.9363526432276852
Energy: 0.8729987062444167
Energy: 0.9363526432276852
Energy: 0.8729987062444167
Energy: 0.7758743695514171
Energy: 0.7363837197963661
Energy: 0.7758743697041142
Energy: 0.7363837197978711
Energy: 0.7758743695679731
Energy: 0.7363837197963661
Energy: 0.897900564252533
Energy: 0.896468861934455
Energy: 0.8979005650904852
Energy: 0.8964688619337022
Energy: 0.8979005648986561
Energy: 0.8964688619352074
Energy: 0.7776496329641622
Energy: 0.7310467304974861
Energy: 0.7776487813485841
Energy: 0.731046730498991
Energy: 0.7776514006547328
Energy: 0.7310467304974861
Energy: 0.8943409142949357
Energy: 1.0338771362712502
Energy: 0.8943409142979458
Energy: 1.0338771362712502
Energy: 0.8943409142941832
Energy: 1.0338771362704975

minimum gb energy = 0.6651244400805507 eV
minimum distance =  2.32289862382275 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.9486691653286355
Energy: 0.833007483027326
Energy: 0.9486691653222501
Energy: 0.833007483027326
Energy: 0.9486691653371496
Energy: 0.833007483027326
Energy: 0.7985140062918222
Energy: 0.7540735138842096
Energy: 0.7985140062918222
Energy: 0.754073513882081
Energy: 0.7985140062907579
Energy: 0.7540735138831454
Energy: 0.8222328536668156
Energy: 0.9471948221400323
Energy: 0.8222328536636228
Energy: 0.9471948221400323
Energy: 0.8222328536657514
Energy: 0.9471948221410966
Energy: 0.6322109277755704
Energy: 0.7107974592421569
Energy: 0.6322109277745062
Energy: 0.7106441707857015
Energy: 0.6322109277755704
Energy: 0.7107491963439039
Energy: 0.7222642361509837
Energy: 0.8415432955127319
Energy: 0.7222642360222578
Energy: 0.8415432955180533
Energy: 0.7222642361307631
Energy: 0.8415432955127319
Energy: 0.7212245648098088
Energy: 0.7543570402404374
Energy: 0.7212245648087445
Energy: 0.7543570402415015
Energy: 0.7212245648098088
Energy: 0.7543570402404374
Energy: 0.6865399095784014
Energy: 0.7606757450714502
Energy: 0.6865399095773371
Energy: 0.7606757450714502
Energy: 0.6865399095784014
Energy: 0.7606757450714502
Energy: 0.6316000457708741
Energy: 0.7504131020279136
Energy: 0.6316000464378693
Energy: 0.7501801124728356
Energy: 0.6316000449571092
Energy: 0.7505403405545098
Energy: 0.7168726594771568
Energy: 0.7544534292190246
Energy: 0.7168726594760927
Energy: 0.7544534292190246
Energy: 0.7168726594760927
Energy: 0.7544534292190246
Energy: 0.8521187752972231
Energy: 0.782054971102757
Energy: 0.8521187752930145
Energy: 0.782054971102757
Energy: 0.8521187752919502
Energy: 0.782054971102757
Energy: 0.7907971508073429
Energy: 0.7739273061549998
Energy: 0.7907971508062788
Energy: 0.7739273061539356
Energy: 0.7907971508073429
Energy: 0.7739273061560641
Energy: 0.6707781850155278
Energy: 0.7550542373805731
Energy: 0.6705887405472455
Energy: 0.7550542373805731
Energy: 0.6708328216100916
Energy: 0.7550542373805731
Energy: 0.6856230962083957
Energy: 0.8856832768254418
Energy: 0.6856230962083957
Energy: 0.8856832768254418
Energy: 0.6856230962073314
Energy: 0.8856832768254418
Energy: 0.8429423542751867
Energy: 0.7231628860853102
Energy: 0.8429423542751867
Energy: 0.7231628860853102
Energy: 0.8429423542751867
Energy: 0.7231628860853102
Energy: 0.7764101707159138
Energy: 0.7619323832577563
Energy: 0.7764101707137853
Energy: 0.7619323832577563
Energy: 0.7764101707137853
Energy: 0.7619323832577563
Energy: 0.7122224162665756
Energy: 0.9033192856908457
Energy: 0.7122224162676399
Energy: 0.9033192856908457
Energy: 0.7122224162655114
Energy: 0.9033192856908457
Energy: 0.8411008722008103
Energy: 0.8776192819500619
Energy: 0.8411008722008103
Energy: 0.8776192819500619
Energy: 0.8411008722008103
Energy: 0.8776192819489977

minimum gb energy = 0.6316000449571092 eV
minimum distance =  2.3164705219275 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.9100502604471828
Energy: 0.7444934591692006
Energy: 0.9100502604537586
Energy: 0.7444934591708445
Energy: 0.9100502604533475
Energy: 0.7444934591683787
Energy: 0.7596706269863733
Energy: 0.703247569511161
Energy: 0.7596706269834966
Energy: 0.703247569511161
Energy: 0.7596706269863733
Energy: 0.70324756951075
Energy: 0.7655922701630242
Energy: 0.7794784835247512
Energy: 0.7655922701630242
Energy: 0.7794784835243403
Energy: 0.7655922701622021
Energy: 0.7794784835226964
Energy: 0.6836699322335423
Energy: 0.8066298381760673
Energy: 0.6836699322331313
Energy: 0.8066298381756563
Energy: 0.6836699322318984
Energy: 0.8066298381768893
Energy: 0.8821651404901737
Energy: 0.706734132667649
Energy: 0.8821651404905847
Energy: 0.706734132667649
Energy: 0.8821651404897628
Energy: 0.706734132667649
Energy: 0.8192218089233837
Energy: 0.7631847612298804
Energy: 0.8192218089229726
Energy: 0.7631847612302914
Energy: 0.8192218089233837
Energy: 0.7631847612298804
Energy: 0.7584656385711046
Energy: 0.7428836622746392
Energy: 0.7584656385706937
Energy: 0.7428836622746392
Energy: 0.7584656385748033
Energy: 0.742883662276283
Energy: 0.7686826918483326
Energy: 0.7887892312752808
Energy: 0.7686826918487436
Energy: 0.7887892312732258
Energy: 0.7686826918487436
Energy: 0.7887892312781575
Energy: 0.7862374089433285
Energy: 0.8072131118728464
Energy: 0.7862374089441504
Energy: 0.8072131118732573
Energy: 0.7862374089433285
Energy: 0.807213111876134
Energy: 0.7590084594520635
Energy: 0.6540868350029088
Energy: 0.7590084594520635
Energy: 0.6540868350016759
Energy: 0.7590084594512416
Energy: 0.6540868350020869
Energy: 0.6836024857707288
Energy: 0.744937866787697
Energy: 0.6836024857707288
Energy: 0.7456420362882368
Energy: 0.6836024857699069
Energy: 0.7454787663862106
Energy: 0.7607466415654315
Energy: 0.7322007830806936
Energy: 0.760746641546564
Energy: 0.7322007830798716
Energy: 0.7607466415629657
Energy: 0.7322007830531583
Energy: 0.7756314541383498
Energy: 0.7413465252193558
Energy: 0.7756314541395827
Energy: 0.7413465252189448
Energy: 0.7756314541379388
Energy: 0.7413465252181229
Energy: 0.7546867916110015
Energy: 0.7276266107229089
Energy: 0.7546867916097686
Energy: 0.7276266107229089
Energy: 0.7546867916093576
Energy: 0.7276266107204804
Energy: 0.8660029325881269
Energy: 0.7313823264430738
Energy: 0.8660019619085073
Energy: 0.7313823264090002
Energy: 0.8659988187743951
Energy: 0.7313823264332103
Energy: 0.6818890116034372
Energy: 0.8195930841193819
Energy: 0.6818890116017933
Energy: 0.8195930841234915
Energy: 0.6818890116034372
Energy: 0.8195930841226695
Energy: 0.7803558419538659
Energy: 0.819151261691805
Energy: 0.7803558419538659
Energy: 0.819151261691805
Energy: 0.7803558419526329
Energy: 0.8191512616913939
Energy: 0.8449791623841887
Energy: 0.7955069358928271
Energy: 0.8449791623882985
Energy: 0.795506935892005
Energy: 0.8449791623841887
Energy: 0.7955069358895392
Energy: 0.7675770357248882
Energy: 0.7963609720273206
Energy: 0.7675770357252991
Energy: 0.7963609720232107
Energy: 0.7675770357244773
Energy: 0.7963609720248547
Energy: 0.779294083450993
Energy: 0.6797694466365495
Energy: 0.779294083450582
Energy: 0.6797694466369605
Energy: 0.779294083450993
Energy: 0.6797694466361386
Energy: 0.7677993406874165
Energy: 0.7976087040712654
Energy: 0.7677993406874165
Energy: 0.79760870407743
Energy: 0.7677993406878274
Energy: 0.797608704077019
Energy: 0.8445206689612272
Energy: 0.7953127509592476
Energy: 0.8445206689641043
Energy: 0.7953127509604805
Energy: 0.8445206689645152
Energy: 0.7953127509596585
Energy: 0.7805922729654972
Energy: 0.8193856678801296
Energy: 0.7805922729650862
Energy: 0.8193856678805405
Energy: 0.7805922729659082
Energy: 0.8193856678801296
Energy: 0.6822896487828862
Energy: 0.8547350995827739
Energy: 0.6822896487828862
Energy: 0.854735099583596
Energy: 0.6822896487779545
Energy: 0.854735099585651
Energy: 0.8672311332022808
Energy: 0.7325493584016219
Energy: 0.8672310428010946
Energy: 0.7325493584139512
Energy: 0.8672304655721983
Energy: 0.7325493584036767
Energy: 0.7558893201126383
Energy: 0.7274138902084635
Energy: 0.7558893201126383
Energy: 0.7274138902101074
Energy: 0.7558893201118163
Energy: 0.7274138902047647
Energy: 0.7758641676189685
Energy: 0.7409359571506215
Energy: 0.7758641676185575
Energy: 0.7409359571485666
Energy: 0.7758641676193795
Energy: 0.7409359571432239
Energy: 0.7619905418532193
Energy: 0.7326545646301669
Energy: 0.7619905418515754
Energy: 0.732654564629345
Energy: 0.7619905418515754
Energy: 0.7326545646318108
Energy: 0.6834266959945579
Energy: 0.7449799924741771
Energy: 0.6834266959949687
Energy: 0.7453884850511301
Energy: 0.6834266959908589
Energy: 0.7450041837406196
Energy: 0.758753844102122
Energy: 0.6538677706898166
Energy: 0.7587538441033549
Energy: 0.6538677706914606
Energy: 0.7587538441013
Energy: 0.6538677706889946
Energy: 0.7868167443855962
Energy: 0.806845754268402
Energy: 0.7868167443847742
Energy: 0.8068457542696349
Energy: 0.7868167443851852
Energy: 0.8068457542721007
Energy: 0.7689815337553636
Energy: 0.7788329876446197
Energy: 0.7689815337524867
Energy: 0.7788329876462635
Energy: 0.7689815337545416
Energy: 0.7788329876425648
Energy: 0.7585419159193445
Energy: 0.7429163839399644
Energy: 0.7585419159189336
Energy: 0.7429163839399644
Energy: 0.7585419159193445
Energy: 0.7429163839399644
Energy: 0.8192602067412448
Energy: 0.7341260017267898
Energy: 0.8192602067416559
Energy: 0.7341260017272008
Energy: 0.8192602067416559
Energy: 0.7341260017280227
Energy: 0.8807673654680909
Energy: 0.7067347144419355
Energy: 0.880767365467269
Energy: 0.7067347144427575
Energy: 0.8807673654680909
Energy: 0.7067347144435794
Energy: 0.6885730163708764
Energy: 0.8253479898025249
Energy: 0.6885730163716983
Energy: 0.8253479898033468
Energy: 0.6885730163679996
Energy: 0.8253479898029359
Energy: 0.7673562522039339
Energy: 0.7793063588431014
Energy: 0.7673562522051668
Energy: 0.7793063588439233
Energy: 0.7673562521994132
Energy: 0.7793063588431014
Energy: 0.7599722730714131
Energy: 0.7025177397519112
Energy: 0.7599722730726461
Energy: 0.7025177397531442
Energy: 0.7599722730964826
Energy: 0.7025177397527334
Energy: 0.910050260445128
Energy: 0.7444934591700226
Energy: 0.9100502604484159
Energy: 0.7444934591687896
Energy: 0.910050260446772
Energy: 0.7444934591708445
Energy: 0.7596706269884284
Energy: 0.7185082034880598
Energy: 0.7596706269884284
Energy: 0.718508203485594
Energy: 0.7596706269884284
Energy: 0.7185082034847718
Energy: 0.7655922701601473
Energy: 0.7794784835247512
Energy: 0.7655922701597364
Energy: 0.7794784835239293
Energy: 0.7655922701626131
Energy: 0.7794784835239293
Energy: 0.6836699322335423
Energy: 0.8066298381764782
Energy: 0.6836699322327203
Energy: 0.8066298381760673
Energy: 0.6836699322351864
Energy: 0.8066298381764782
Energy: 0.8821651404893517
Energy: 0.70673413266806
Energy: 0.8821651404914066
Energy: 0.70673413266806
Energy: 0.8821651404901737
Energy: 0.70673413266806

minimum gb energy = 0.6538677706889946 eV
minimum distance =  2.36444181866162 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.7060999915204982
Energy: 0.6905764896537231
Energy: 0.7060999915278592
Energy: 0.6905764896523847
Energy: 0.7060999915238441
Energy: 0.6905764896523847
Energy: 0.7513712874121604
Energy: 0.7268795176647261
Energy: 0.751371287414168
Energy: 0.7268795176640569
Energy: 0.7513712874148372
Energy: 0.7268795176647261
Energy: 0.792252551388017
Energy: 0.7260552545762448
Energy: 0.7922525513873478
Energy: 0.7260552545749064
Energy: 0.792252551388686
Energy: 0.7260552545755755
Energy: 0.7998277211981348
Energy: 0.7740825480896957
Energy: 0.7998277211981348
Energy: 0.7740825480896957
Energy: 0.799827721198804
Energy: 0.7740825480896957
Energy: 0.7047366803076295
Energy: 0.6301292971738502
Energy: 0.7047366803042836
Energy: 0.6301292971758577
Energy: 0.7047366803049527
Energy: 0.6301292971751886
Energy: 0.7727213000293365
Energy: 0.6755949463790837
Energy: 0.7727213000286672
Energy: 0.6755949463797528
Energy: 0.7727213000286672
Energy: 0.6755949463797528
Energy: 0.6374464958603129
Energy: 0.74916774048317
Energy: 0.6374464958616513
Energy: 0.7491677404838393
Energy: 0.6374464958596437
Energy: 0.74916774048317
Energy: 0.844998214048978
Energy: 0.7162587665261062
Energy: 0.844998214048978
Energy: 0.7162587665281137
Energy: 0.8449982140503164
Energy: 0.7162587665180762
Energy: 0.6911712222589557
Energy: 0.6781043053198544
Energy: 0.6911712222596249
Energy: 0.6781043053171779
Energy: 0.6911712222589557
Energy: 0.6781043053191853
Energy: 0.6945844116434561
Energy: 0.7037846007302485
Energy: 0.6945844116488095
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Energy: 0.6945844116421179
Energy: 0.7037846007302485
Energy: 0.6367348763944306
Energy: 0.7951994801014654
Energy: 0.6367348763924232
Energy: 0.7951994800994577
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Energy: 0.7951994801094953
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Energy: 0.7156762507988811
Energy: 0.7364191713051262
Energy: 0.7156762508015578
Energy: 0.6926974800890237
Energy: 0.8325489102643854
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Energy: 0.7318884885030011
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Energy: 0.7318884885083545
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Energy: 0.7318884884969787
Energy: 0.7915087150170289
Energy: 0.8335609961766055
Energy: 0.7915087150156904
Energy: 0.8335609961772747
Energy: 0.7915087150150214
Energy: 0.8335609961786129
Energy: 0.7487102509762691
Energy: 0.6852743946239753
Energy: 0.7487102509769381
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Energy: 0.7487102509769381
Energy: 0.6852743946320053
Energy: 0.7057313808912943
Energy: 0.775817160303625
Energy: 0.7057313808973168
Energy: 0.7758171603029559
Energy: 0.7057313808912943
Energy: 0.775817160303625
Energy: 0.7311794998299703
Energy: 0.8451318930264909
Energy: 0.731179427598728
Energy: 0.8451318930252134
Energy: 0.7311792923346077
Energy: 0.8451318930238753
Energy: 0.718796881672931
Energy: 0.7414289767400337
Energy: 0.718796881672931
Energy: 0.7414289767380263
Energy: 0.7187968816722619
Energy: 0.7414289767333421
Energy: 0.7278732113543767
Energy: 0.7778206733480563
Energy: 0.7278732113543767
Energy: 0.7778206733487254
Energy: 0.7278732113543767
Energy: 0.7778206733487254
Energy: 0.7526680039898992
Energy: 0.7383280703819224
Energy: 0.7526680039738392
Energy: 0.7383280703832608
Energy: 0.752668003977185
Energy: 0.7383280703845991
Energy: 0.6370463240373692
Energy: 0.742278610450381
Energy: 0.6370463240387074
Energy: 0.7422786104410126
Energy: 0.6370463240380384
Energy: 0.7422786104410126
Energy: 0.6990893107454681
Energy: 0.7337145631102504
Energy: 0.6990893107447987
Energy: 0.7337145631102504
Energy: 0.6990893107461371
Energy: 0.7337145631102504
Energy: 0.7078451668432175
Energy: 0.7533371290840454
Energy: 0.7078451668438865
Energy: 0.7533371290786922
Energy: 0.707845166845225
Energy: 0.753337129086053
Energy: 0.7073841472994379
Energy: 0.8688367960145781
Energy: 0.7073841472987688
Energy: 0.8688367960145781
Energy: 0.7073841472994379
Energy: 0.8688367960152474
Energy: 0.69587736566997
Energy: 0.7347526402643015
Energy: 0.6958773656672935
Energy: 0.7347526402643015
Energy: 0.6958773656672935
Energy: 0.7347526402636323
Energy: 0.6510446572194944
Energy: 0.7410043824973656
Energy: 0.6510446572228403
Energy: 0.7410043823354883
Energy: 0.6510446572241786
Energy: 0.7410043822324973

minimum gb energy = 0.6301292971738502 eV
minimum distance =  2.34667360556698 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.6357601989270495
Energy: 0.6033277533757244
Energy: 0.6357601989280246
Energy: 0.6033277533762119
Energy: 0.6357601989294872
Energy: 0.6033277533762119
Energy: 0.649784190505419
Energy: 0.6584523483852808
Energy: 0.6497841905073692
Energy: 0.6584523483852808
Energy: 0.6497841905049315
Energy: 0.6584523483847933
Energy: 0.6573154942517004
Energy: 0.6610738688938109
Energy: 0.6573154942507253
Energy: 0.6610738688933233
Energy: 0.6573154942497502
Energy: 0.6610738688938109
Energy: 0.6079767590905207
Energy: 0.6408689457233576
Energy: 0.6079767590856452
Energy: 0.6408689457243327
Energy: 0.6079767590875954
Energy: 0.6408689457248203
Energy: 0.6525831739663867
Energy: 0.6256478377640805
Energy: 0.6525831739634612
Energy: 0.6256478377650557
Energy: 0.6525831739649239
Energy: 0.6256478377645681
Energy: 0.6638062195944325
Energy: 0.5900765082768552
Energy: 0.6638062195944325
Energy: 0.5900765082773427
Energy: 0.6638062195944325
Energy: 0.5900765082778303
Energy: 0.6160021188636726
Energy: 0.6806052688188684
Energy: 0.6160021188631851
Energy: 0.6806052688188684
Energy: 0.6160021188597721
Energy: 0.6806052688183809
Energy: 0.6525230921879477
Energy: 0.6070533994222738
Energy: 0.6525230921869726
Energy: 0.6070533994300746
Energy: 0.6525230921830721
Energy: 0.6070533994339751
Energy: 0.6228618684417488
Energy: 0.5823380720116939
Energy: 0.6228618684412613
Energy: 0.5823380720116939
Energy: 0.6228618684417488
Energy: 0.5823380720121815
Energy: 0.6497512513281235
Energy: 0.6486978472640248
Energy: 0.6497512513237355
Energy: 0.6486978472645124
Energy: 0.6497512513320239
Energy: 0.6486978472640248
Energy: 0.7288551880549654
Energy: 0.708791384060531
Energy: 0.7288551880564281
Energy: 0.708791384059556
Energy: 0.7288551880549654
Energy: 0.7087913840610187
Energy: 0.5786221628315795
Energy: 0.627754358547162
Energy: 0.5786221628315795
Energy: 0.6277543585461869
Energy: 0.5786221628320671
Energy: 0.6277543585466745
Energy: 0.6503943460731968
Energy: 0.6101214257579963
Energy: 0.6503943460770972
Energy: 0.6101214257579963
Energy: 0.6503943460814853
Energy: 0.6101214257579963
Energy: 0.6977246366718957
Energy: 0.7036439149015017
Energy: 0.6977246366709206
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Energy: 0.6977246366709206
Energy: 0.7036439149015017
Energy: 0.641598173754491
Energy: 0.626053765575399
Energy: 0.6415981737540034
Energy: 0.6260537655763742
Energy: 0.6415981737540034
Energy: 0.6260537655758865
Energy: 0.6191650197576594
Energy: 0.6648241961588696
Energy: 0.6191650197576594
Energy: 0.6648241961593571
Energy: 0.6191650197600972
Energy: 0.6648241961598447
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Energy: 0.6628219701895015
Energy: 0.6991237671630481
Energy: 0.662821970202178
Energy: 0.6991237671635357
Energy: 0.662821970189989
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Energy: 0.5719317992049745
Energy: 0.6168506063564665
Energy: 0.5719317992039994
Energy: 0.6153346317891236
Energy: 0.7175892612166688
Energy: 0.6153346317900987
Energy: 0.7175892612166688
Energy: 0.6153346317896112
Energy: 0.7175892612161812
Energy: 0.6150253503284636
Energy: 0.5814035289592807
Energy: 0.6150253503284636
Energy: 0.5814035289568429
Energy: 0.615025350327976
Energy: 0.5814035289573305
Energy: 0.6699340800753388
Energy: 0.5906651056493116
Energy: 0.6699340800602246
Energy: 0.590665105648824
Energy: 0.6699340800455978
Energy: 0.5906651056497991
Energy: 0.6691066856634245
Energy: 0.6484704273941506
Energy: 0.6691066856643996
Energy: 0.6484704273941506
Energy: 0.6691066856648872
Energy: 0.6484704273941506
Energy: 0.6682552139040895
Energy: 0.6601075069092283
Energy: 0.6682552139031145
Energy: 0.6601075069092283
Energy: 0.6682552139045772
Energy: 0.6601075069087406
Energy: 0.6344446594522676
Energy: 0.5911011021921174
Energy: 0.6344446567177783
Energy: 0.5911011021911423
Energy: 0.6344446475352948
Energy: 0.5911011021916298
Energy: 0.621813781786841
Energy: 0.5798723757891553
Energy: 0.6218137817858659
Energy: 0.5798723757901305
Energy: 0.6218137817863534
Energy: 0.5798723757886678
Energy: 0.6208874191331192
Energy: 0.6748096486362671
Energy: 0.6208874191331192
Energy: 0.6748096486357796
Energy: 0.6208874191336067
Energy: 0.6748096486362671
Energy: 0.6193030740949113
Energy: 0.5927020210014001
Energy: 0.6193030740968616
Energy: 0.5927020209999374
Energy: 0.6193030740953989
Energy: 0.5927020209989623
Energy: 0.5925958969172536
Energy: 0.6250363837163218
Energy: 0.5925958969182287
Energy: 0.6250363837250978
Energy: 0.5925958969177411
Energy: 0.625036383710471
Energy: 0.57645513715667
Energy: 0.6214511205971712
Energy: 0.57645513715667
Energy: 0.6214511205961961
Energy: 0.5764551371571576
Energy: 0.6214511205966836
Energy: 0.6416898399973839
Energy: 0.5794872198798474
Energy: 0.6416898399973839
Energy: 0.5794872198793599
Energy: 0.6416898399973839
Energy: 0.5794872198778972
Energy: 0.5305688163631049
Energy: 0.6272292454364886
Energy: 0.5305688163621298
Energy: 0.6272292454272251
Energy: 0.5305688163631049
Energy: 0.6272292454321007
Energy: 0.576092201370985
Energy: 0.5932016613173003
Energy: 0.5760922013719602
Energy: 0.5932016613177881
Energy: 0.576092201370985
Energy: 0.5932016613173003
Energy: 0.6115049745264756
Energy: 0.5880670536173864
Energy: 0.611504974525988
Energy: 0.5880670536164113
Energy: 0.6115049745255005
Energy: 0.5880670536164113
Energy: 0.7283744693424141
Energy: 0.6617031979036677
Energy: 0.7283744693424141
Energy: 0.6617031979026925
Energy: 0.7283744693424141
Energy: 0.661703197902205
Energy: 0.6228285379130961
Energy: 0.5688321188418894
Energy: 0.6228285379150463
Energy: 0.5688321188418894
Energy: 0.6228285379121209
Energy: 0.5688321188418894
Energy: 0.5615248518881737
Energy: 0.6203475793102119
Energy: 0.5615248518871986
Energy: 0.6203475793106995
Energy: 0.5615248518881737
Energy: 0.6203475793102119

minimum gb energy = 0.5305688163621298 eV
minimum distance =  2.35351559324217 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: 0.5660524827352844
Energy: 0.000588853367883469
Energy: 0.566052482733493
Energy: 0.0006049019289879698
Energy: 0.566052482733493
Energy: 0.0005894297800444914
Energy: 0.5660551543442718
Energy: 0.0008355123497065246
Energy: 0.5660551543442718
Energy: 0.0008480810509573962
Energy: 0.5660551543442718
Energy: 0.0007380818480347326
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: 0.5660524827352844
Energy: 0.0005817903445425422
Energy: 0.5660524827352844
Energy: 0.0006030243175834928
Energy: 0.5660524827352844
Energy: 0.0005937113030901756
Energy: 0.5660551543442718
Energy: 0.0008306219759290492
Energy: 0.5660551543442718
Energy: 0.0007333464350616067
Energy: 0.5660551543442718
Energy: 0.000856766649695452
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: 0.5660524827352844
Energy: 0.0005901895072266122
Energy: 0.566052482733493
Energy: 0.0006103447691852144
Energy: 0.5660524827352844
Energy: 0.0005894484990470374
Energy: 0.5660551543442718
Energy: 0.0007473526203513653
Energy: 0.5660551543442718
Energy: 0.0007787640210931566
Energy: 0.5660551543442718
Energy: 0.0008654066864646924
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136
Energy: -0.00038239191527059986
Energy: 0.03864128058588136

minimum gb energy = -0.00038239191527059986 eV
minimum distance =  2.51790621090743 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.9593423215168069
Energy: 0.6068754155366748
Energy: 0.9593423215162709
Energy: 0.6068754155366748
Energy: 0.9593423215162709
Energy: 0.6068754155372108
Energy: 0.3760975734289804
Energy: 0.48073016831639526
Energy: 0.37609757343112477
Energy: 0.48073016831639526
Energy: 0.3760975734305887
Energy: 0.4807301683169313
Energy: 0.5980995124385586
Energy: 0.42961496355218975
Energy: 0.5980995124380226
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Energy: 0.4296149635559423
Energy: 0.4886684238642287
Energy: 0.4690437574576417
Energy: 0.4886684237340096
Energy: 0.46904375746139426
Energy: 0.4886684252659852
Energy: 0.4690437574576417
Energy: 0.4083666634570314
Energy: 0.4932730427081851
Energy: 0.4083666634591757
Energy: 0.493273042707649
Energy: 0.4083666634575674
Energy: 0.49327304270389644
Energy: 0.46820903213013604
Energy: 0.4401345178186119
Energy: 0.4682090321317442
Energy: 0.44013451781914803
Energy: 0.46820903212959986
Energy: 0.4401345178186119
Energy: 0.3125795324978937
Energy: 0.5024915598357108
Energy: 0.31257953178198083
Energy: 0.5024915598367831
Energy: 0.31257953237946845
Energy: 0.5024915598373191
Energy: 0.4544809907616224
Energy: 0.41254634662100426
Energy: 0.45448099076108633
Energy: 0.4125463466231486
Energy: 0.45448099076108633
Energy: 0.4125463466199321
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Energy: 0.4494165716573655
Energy: 0.4782713425782694
Energy: 0.44941657165575716
Energy: 0.47827134257773335
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Energy: 0.4134080041549447
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Energy: 0.31392008147863476
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Energy: 0.45933235956508844
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Energy: 0.42960406672875495
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Energy: 0.504327767508378
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Energy: 0.4405634379583973
Energy: 0.7069718498559681
Energy: 0.4501225960963568
Energy: 0.7069718498554322
Energy: 0.45012259609742894
Energy: 0.7069718498554322
Energy: 0.45012259610171756

minimum gb energy = 0.2963825985878922 eV
minimum distance =  2.37033468609629 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.9724094005968484
Energy: 0.7347681073714005
Energy: 0.9724094005960845
Energy: 0.7347681073729282
Energy: 0.9724094005960845
Energy: 0.7347681073660535
Energy: 0.6003702968555573
Energy: 0.6069983422301759
Energy: 0.600370296857085
Energy: 0.6069983422309398
Energy: 0.600370296857085
Energy: 0.6069983422301759
Energy: 0.6868174669710901
Energy: 0.6046800723699345
Energy: 0.6868174669710901
Energy: 0.6046800723706982
Energy: 0.6868174669726178
Energy: 0.6046800723706982
Energy: 0.6066550601370232
Energy: 0.6787229807962482
Energy: 0.6066550601354954
Energy: 0.6787229807962482
Energy: 0.6066550601339679
Energy: 0.6787229807962482
Energy: 0.6050749084068818
Energy: 0.6072835844697234
Energy: 0.6050749084068818
Energy: 0.6072835844689595
Energy: 0.6050749084068818
Energy: 0.6072835844689595
Energy: 0.642383196772581
Energy: 0.6036479037466029
Energy: 0.642383196772581
Energy: 0.6036479037458391
Energy: 0.642383196772581
Energy: 0.6036479037458391
Energy: 0.6056806057863688
Energy: 0.6423122245574485
Energy: 0.6056806057863688
Energy: 0.6423122245597401
Energy: 0.6056806057856051
Energy: 0.6423122245589763
Energy: 0.6376735269676854
Energy: 0.7261472900789794
Energy: 0.6376735269676854
Energy: 0.7261472900797433
Energy: 0.6376735269676854
Energy: 0.7261472900789794
Energy: 0.6621580238888725
Energy: 0.6642899500576313
Energy: 0.6621580238896362
Energy: 0.6642899500576313
Energy: 0.6621580238888725
Energy: 0.664289950058395
Energy: 0.6032683039686267
Energy: 0.6474508120579187
Energy: 0.6032683039686267
Energy: 0.6474508120571547
Energy: 0.6032683039693906
Energy: 0.6474508120579187
Energy: 0.6544165258554503
Energy: 0.8467835834881924
Energy: 0.6544165258554503
Energy: 0.8467835834881924
Energy: 0.654416525856978
Energy: 0.8467835834881924
Energy: 0.6041700668024654
Energy: 0.6318331819026639
Energy: 0.6041700668024654
Energy: 0.6318331819034279
Energy: 0.6041700668032294
Energy: 0.6318331819041917
Energy: 0.6032525149086381
Energy: 0.6334758851598775
Energy: 0.6032525149086381
Energy: 0.6334758851667522
Energy: 0.6032525149078741
Energy: 0.6334758851667522
Energy: 0.6237535453457131
Energy: 0.7783101032251526
Energy: 0.6237535453472408
Energy: 0.7783101032266803
Energy: 0.6237535453441854
Energy: 0.7783101032266803
Energy: 0.6000591627818997
Energy: 0.718593628798453
Energy: 0.6000591627826636
Energy: 0.7185936287976892
Energy: 0.6000591627818997
Energy: 0.718593628798453
Energy: 0.607144384746903
Energy: 0.655583438513158
Energy: 0.607144384746903
Energy: 0.655583438513922
Energy: 0.607144384746903
Energy: 0.6555834385123942
Energy: 0.668227704777736
Energy: 0.7769662081078085
Energy: 0.6682277046555883
Energy: 0.7769662081093361
Energy: 0.6682277042363703
Energy: 0.7769662081070446
Energy: 0.7377511397155029
Energy: 0.5959435023853357
Energy: 0.7377511397147389
Energy: 0.5959435023845718
Energy: 0.7377511397147389
Energy: 0.5959435023853357
Energy: 0.6055742364768212
Energy: 0.6348629927101758
Energy: 0.6055742364768212
Energy: 0.6348629927162173
Energy: 0.6055742364768212
Energy: 0.6348629927154534
Energy: 0.5843824062539341
Energy: 0.6062365015318387
Energy: 0.5843824062531703
Energy: 0.6062365015379495
Energy: 0.5843824062684474
Energy: 0.606236501530311
Energy: 0.6428571826685904
Energy: 0.6493874995074648
Energy: 0.6428571826701182
Energy: 0.6493874995074648
Energy: 0.6428571826701182
Energy: 0.6493874995074648
Energy: 0.6122273893744893
Energy: 0.7074436139031203
Energy: 0.6122273893744893
Energy: 0.7074436139038841
Energy: 0.6122273893752532
Energy: 0.7074436139038841
Energy: 0.6562349488599388
Energy: 0.6056886666158084
Energy: 0.6562349488599388
Energy: 0.6056886666158084
Energy: 0.6562349488599388
Energy: 0.6056886666165723

minimum gb energy = 0.5843824062531703 eV
minimum distance =  2.38340718581034 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.023072178863775
Energy: 0.8368566214465182
Energy: 1.0230721788642596
Energy: 0.836856621445549
Energy: 1.023072178863775
Energy: 0.8368566214460336
Energy: 0.6849919331089762
Energy: 0.6962334684175541
Energy: 0.6849919331089762
Energy: 0.6962334684180387
Energy: 0.6849919331046149
Energy: 0.6962334684175541
Energy: 0.777690165700844
Energy: 0.6934494651737545
Energy: 0.7776901656993902
Energy: 0.6934494651732699
Energy: 0.7776901657018132
Energy: 0.6934494651732699
Energy: 0.6794203839454106
Energy: 0.7691553051781966
Energy: 0.6794203839454106
Energy: 0.7691553051781966
Energy: 0.6794203839449262
Energy: 0.7691553051786811
Energy: 0.7581177008435117
Energy: 0.8432504553593255
Energy: 0.7581177008439963
Energy: 0.8432504553593255
Energy: 0.7581177008439963
Energy: 0.8432504553598101
Energy: 0.7448852759772043
Energy: 0.7446052555881206
Energy: 0.7448852759767196
Energy: 0.7446052555881206
Energy: 0.7448852759757505
Energy: 0.744605255587636
Energy: 0.6984763423477345
Energy: 0.7409027550744443
Energy: 0.698476342348219
Energy: 0.7409027550744443
Energy: 0.6984763423487037
Energy: 0.7409027550739596
Energy: 0.7558371390990277
Energy: 0.6930330752869986
Energy: 0.7558371390990277
Energy: 0.693033075286514
Energy: 0.7558371390985431
Energy: 0.6930330752869986
Energy: 0.7022511296638766
Energy: 0.7495506063652895
Energy: 0.7022511296638766
Energy: 0.7495506063648049
Energy: 0.7022511296638766
Energy: 0.7495506063638356
Energy: 0.6774218559003884
Energy: 0.7494795054303761
Energy: 0.677421855900873
Energy: 0.7494795054294069
Energy: 0.6774218559018421
Energy: 0.7494795054337682
Energy: 0.7796522803997143
Energy: 0.8441702655119097
Energy: 0.7796522803992297
Energy: 0.8441702655119097
Energy: 0.7796522803992297
Energy: 0.8441702655119097
Energy: 0.6890398638448957
Energy: 0.6939446225009669
Energy: 0.6890398638458648
Energy: 0.6939446225004823
Energy: 0.6890398638444111
Energy: 0.6939446225009669
Energy: 0.6902874532246861
Energy: 0.7027455541561024
Energy: 0.6902874532246861
Energy: 0.7027455541561024
Energy: 0.6902874532251707
Energy: 0.702745554156587
Energy: 0.7338463472659863
Energy: 0.6750302561886864
Energy: 0.7338463472650172
Energy: 0.6750302561882018
Energy: 0.7338463472568234
Energy: 0.6750302561882018
Energy: 0.695442488171286
Energy: 0.7639891972901968
Energy: 0.6954424881741933
Energy: 0.7639891972901968
Energy: 0.6954424881800083
Energy: 0.7639891972901968
Energy: 0.6778539788517915
Energy: 0.7761258053088521
Energy: 0.6778539788517915
Energy: 0.7761258053107905
Energy: 0.6778539788517915
Energy: 0.7761258053078831
Energy: 0.7725064538593949
Energy: 0.6943117824217638
Energy: 0.7725064538589103
Energy: 0.6943117824217638
Energy: 0.7725064538584256
Energy: 0.6943117824212792
Energy: 0.7255829357593983
Energy: 0.7698195416449561
Energy: 0.7255829357623058
Energy: 0.7698195416444716
Energy: 0.7255829357623058
Energy: 0.7698195416444716
Energy: 0.693603208367405
Energy: 0.7500368479298227
Energy: 0.693603208367405
Energy: 0.7500368479307918
Energy: 0.6936032083683741
Energy: 0.7500368479303072
Energy: 0.7539371439444652
Energy: 0.6957031822654793
Energy: 0.7539371439425269
Energy: 0.6957031822654793
Energy: 0.753937143943496
Energy: 0.6957031822654793
Energy: 0.6918848732599017
Energy: 0.7423991874218427
Energy: 0.6918848732599017
Energy: 0.7423991874218427
Energy: 0.6918848732599017
Energy: 0.7423991874213581
Energy: 0.6905053667102777
Energy: 0.7133274171170026
Energy: 0.6905053667107622
Energy: 0.7133274171170026
Energy: 0.6905053667097931
Energy: 0.7133274171170026
Energy: 0.7360643977096374
Energy: 0.844492072148442
Energy: 0.736446537214663
Energy: 0.8444920721479575
Energy: 0.7364815264562405
Energy: 0.8444920721479575
Energy: 0.6768761622307742
Energy: 0.7062264925510482
Energy: 0.6768761622312587
Energy: 0.7062264925510482
Energy: 0.676876162228836
Energy: 0.7062264925520174
Energy: 0.6959986705733079
Energy: 0.7039909640657683
Energy: 0.6959986705737925
Energy: 0.7039909640652838
Energy: 0.6959986705737925
Energy: 0.7039909640652838
Energy: 0.7350240513628563
Energy: 0.9918985788593208
Energy: 0.7354802734584306
Energy: 0.9918985788598053
Energy: 0.7354375767566083
Energy: 0.9918985788598053
Energy: 0.6978953812193891
Energy: 0.6998070297542133
Energy: 0.6978953812198736
Energy: 0.6998070297566361
Energy: 0.6978953812193891
Energy: 0.6998070297542133
Energy: 0.6956407754099873
Energy: 0.8254329820377656
Energy: 0.6956407754095026
Energy: 0.8254329820377656
Energy: 0.6956407754095026
Energy: 0.8254329820367965
Energy: 0.7542208445364371
Energy: 0.8439643987607951
Energy: 0.7542208445359524
Energy: 0.8439643987607951
Energy: 0.7542208445359524
Energy: 0.8439643987603105
Energy: 0.6764296189995909
Energy: 0.7512137135038693
Energy: 0.6764296189995909
Energy: 0.7512137135038693
Energy: 0.6764296189995909
Energy: 0.7512137135038693
Energy: 0.8222572613240744
Energy: 0.7702912564435123
Energy: 0.8222572613245589
Energy: 0.7702912564444814
Energy: 0.8222572613240744
Energy: 0.7702912564439968
Energy: 0.7581628702307563
Energy: 0.6767025183838706
Energy: 0.7581628702268796
Energy: 0.6767025183829015
Energy: 0.7581628702268796
Energy: 0.6767025183838706
Energy: 0.6930119345898019
Energy: 0.7805350014130232
Energy: 0.6930119345917402
Energy: 0.7805349816312367
Energy: 0.6930119345898019
Energy: 0.7805349679664686
Energy: 0.6848640656968428
Energy: 0.6944475256857554
Energy: 0.684864065701204
Energy: 0.6944475256857554
Energy: 0.6848640657040673
Energy: 0.69444752568624
Energy: 0.7434082127973918
Energy: 0.6948020405636509
Energy: 0.7434082127978763
Energy: 0.6948020405636509
Energy: 0.7434082127959382
Energy: 0.6948020405636509
Energy: 0.6809105727224711
Energy: 0.7389477251855305
Energy: 0.6809105727185945
Energy: 0.7389477251855305
Energy: 0.6809105727219866
Energy: 0.7389477251855305
Energy: 0.696623319539602
Energy: 0.6921691449863107
Energy: 0.6966233195391175
Energy: 0.692169144985826
Energy: 0.696623319539602
Energy: 0.6921691449863107

minimum gb energy = 0.6750302561882018 eV
minimum distance =  2.37226072739678 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.8763741634621837
Energy: 1.0029434450365995
Energy: 0.8763741634608605
Energy: 1.0029434450379224
Energy: 0.8763741634621837
Energy: 1.0029434450365995
Energy: 0.9087872662976079
Energy: 0.8662557607512498
Energy: 0.9087872662989308
Energy: 0.8662557607512498
Energy: 0.9087872662976079
Energy: 0.8662557607512498
Energy: 0.9687308706459539
Energy: 0.8645657338265478
Energy: 0.9687308706459539
Energy: 0.8645657338265478
Energy: 0.9687308706459539
Energy: 0.8645657338265478
Energy: 0.8750303109112874
Energy: 0.9686411414511131
Energy: 0.8750303109112874
Energy: 0.9686411403865491
Energy: 0.8750303109112874
Energy: 0.9686411395745649
Energy: 0.9416078705877765
Energy: 0.982808127138058
Energy: 0.9416078705877765
Energy: 0.982808127138058
Energy: 0.9416078705877765
Energy: 0.982808127138058
Energy: 1.015135293512949
Energy: 0.9638709410412473
Energy: 1.015135293512949
Energy: 0.9638709410412473
Energy: 1.015135293512949
Energy: 0.9638709410412473
Energy: 0.8745073479853892
Energy: 0.9213372658837543
Energy: 0.8745073479853892
Energy: 0.9213372658864004
Energy: 0.8745073479853892
Energy: 0.9213372658837543
Energy: 0.9495746083104355
Energy: 0.866728244830855
Energy: 0.9495746083104355
Energy: 0.866728244830855
Energy: 0.9495746083104355
Energy: 0.866728244830855
Energy: 0.9140924867417245
Energy: 1.0130892697755463
Energy: 0.9140924867404014
Energy: 1.0130892697742233
Energy: 0.9140924867404014
Energy: 1.0130892697768694
Energy: 0.8747132286246236
Energy: 0.9261147427679169
Energy: 0.8747132286233007
Energy: 0.9261147427692401
Energy: 0.8747132286246236
Energy: 0.9261147427679169
Energy: 0.9423295632946451
Energy: 0.8650615196932996
Energy: 0.9423295632946451
Energy: 0.8650615196932996
Energy: 0.9085877732958332
Energy: 0.8650615196932996
Energy: 0.9238591128268029
Energy: 0.8659440745991858
Energy: 0.9238591128268029
Energy: 0.8659440745991858
Energy: 0.9238591128268029
Energy: 0.8659440746005088
Energy: 0.8925842712115232
Energy: 0.9667797622809061
Energy: 0.8925842712128461
Energy: 0.9667797622689988
Energy: 0.8925842712115232
Energy: 0.9667797622544455
Energy: 0.9453235304050187
Energy: 0.8675323621773987
Energy: 0.9453235304063416
Energy: 0.8675323621773987
Energy: 0.9453235304063416
Energy: 0.8675323621773987

minimum gb energy = 0.8645657338265478 eV
minimum distance =  2.36204050878736 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.2478481752218153
Energy: 1.1228737983992922
Energy: 1.2478481752218153
Energy: 1.1228737983992922
Energy: 1.2478481752223967
Energy: 1.122873798398711
Energy: 1.0729674867477188
Energy: 1.0315150997357332
Energy: 1.0729674867471375
Energy: 1.0315150997351519
Energy: 1.0729674867471375
Energy: 1.0315150997351519
Energy: 1.1271298516410089
Energy: 1.0345389666293965
Energy: 1.1271298516404278
Energy: 1.0345389666299778
Energy: 1.1271298516404278
Energy: 1.0345389666293965
Energy: 1.0464982993487948
Energy: 1.0968678246655155
Energy: 1.0464982993487948
Energy: 1.0968678246655155
Energy: 1.046498299349376
Energy: 1.0968678246655155
Energy: 1.1519477475546116
Energy: 1.0330664743996438
Energy: 1.1519477475546116
Energy: 1.0330664744002251
Energy: 1.1519477475546116
Energy: 1.0330664743996438
Energy: 1.0511146429447495
Energy: 1.0895518703181308
Energy: 1.0511146429447495
Energy: 1.0895518703152252
Energy: 1.0511146429453306
Energy: 1.0895518703181308
Energy: 1.0453180173102778
Energy: 1.0996734504985084
Energy: 1.0453180173096968
Energy: 1.0996734504973462
Energy: 1.0453180173102778
Energy: 1.0996734504950214
Energy: 1.0846003500457042
Energy: 1.049062438002889
Energy: 1.0846003500451231
Energy: 1.049062438002889
Energy: 1.0846003500457042
Energy: 1.0490624380034703
Energy: 1.1166132906637287
Energy: 1.047227987138646
Energy: 1.1166132906648913
Energy: 1.0472279871392276
Energy: 1.11661329066431
Energy: 1.047227987138646
Energy: 1.0635719143841489
Energy: 1.1380375650118961
Energy: 1.06357191438473
Energy: 1.1380375650066652
Energy: 1.0635719143841489
Energy: 1.1380375650032044
Energy: 1.0976919291683866
Energy: 1.0469592286290959
Energy: 1.097691929168968
Energy: 1.0469592286290959
Energy: 1.097691929169549
Energy: 1.0469592286296772
Energy: 1.0964931941315514
Energy: 1.076951458976857
Energy: 1.0964931941315514
Energy: 1.076951458976857
Energy: 1.0964931941315514
Energy: 1.076951458976857
Energy: 1.0461131913175568
Energy: 1.0942731306847855
Energy: 1.0461131913169757
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Energy: 1.0942731306853668
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Energy: 1.0336897685071482
Energy: 1.1270397835903312
Energy: 1.0336897685071482
Energy: 1.1270397835909123
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Energy: 1.0686923685117495
Energy: 1.0575397461985303
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Energy: 1.0575397461985303
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Energy: 1.0694420250987728
Energy: 1.1479590974353262
Energy: 1.0694420250987728
Energy: 1.1479590974347451
Energy: 1.0694420250987728
Energy: 1.1479590974353262
Energy: 1.0687736279224125
Energy: 1.033397119312896
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Energy: 1.0687736279218314
Energy: 1.033397119312896
Energy: 1.0645770164677795
Energy: 1.0870718112343967
Energy: 1.0645770164683608
Energy: 1.0870718112332345
Energy: 1.0645770164671982
Energy: 1.0870718112338156
Energy: 1.0359146878134606
Energy: 1.0600840001651044
Energy: 1.0359146878134606
Energy: 1.0600840001662668
Energy: 1.0359146878134606
Energy: 1.0600840001656855
Energy: 1.171128379327403
Energy: 1.06327031332693
Energy: 1.1711283793297278
Energy: 1.06327031332693
Energy: 1.1711283793285656
Energy: 1.0632703133257677
Energy: 1.058672399087155
Energy: 1.081161570170116
Energy: 1.058672399087155
Energy: 1.081161570170116
Energy: 1.058672399087736
Energy: 1.081161570170116
Energy: 1.0398078723783757
Energy: 1.0998129718744507
Energy: 1.0398078723783757
Energy: 1.0998129718738694
Energy: 1.0398078723783757
Energy: 1.0998129718744507
Energy: 1.0913447618431704
Energy: 1.0357763474228738
Energy: 1.0913447618431704
Energy: 1.035776347423455
Energy: 1.0913447618431704
Energy: 1.0357763474228738
Energy: 1.1083689440820566
Energy: 1.0315901240558598
Energy: 1.1083689440808941
Energy: 1.0315901240558598
Energy: 1.1083689440820566
Energy: 1.0315901240558598
Energy: 1.0643422976472834
Energy: 1.1026931545508907
Energy: 1.0643422976478643
Energy: 1.1026931545508907
Energy: 1.0643422976478643
Energy: 1.1026931545508907
Energy: 1.1220607714858168
Energy: 1.0308462199102244
Energy: 1.1220607714858168
Energy: 1.0308462199102244
Energy: 1.122060771486398
Energy: 1.0308462199102244
Energy: 1.034210071264949
Energy: 1.1494501417858978
Energy: 1.0342100712643674
Energy: 1.1494501417858978
Energy: 1.034210071264949
Energy: 1.1494501417858978
Energy: 1.0485428766544622
Energy: 1.0721520508884306
Energy: 1.0485428766544622
Energy: 1.0721520508884306
Energy: 1.0485428766544622
Energy: 1.0721520508884306
Energy: 1.0894389532005668
Energy: 1.0319345242091866
Energy: 1.0894389524517343
Energy: 1.0319345242091866
Energy: 1.089438949240247
Energy: 1.0319345242091866
Energy: 1.0701209860426173
Energy: 1.050631601851198
Energy: 1.0701209860402925
Energy: 1.050631601851198
Energy: 1.070120986041455
Energy: 1.050631601851198
Energy: 1.0348689851116386
Energy: 1.113260394173415
Energy: 1.0348689851116386
Energy: 1.1132603941722525
Energy: 1.0348689851110837
Energy: 1.1132603941716976

minimum gb energy = 1.0308462199102244 eV
minimum distance =  2.31718715631828 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.2040369419174095
Energy: 1.0621719447709945
Energy: 1.2040369419163754
Energy: 1.0621719447709945
Energy: 1.2040369419174095
Energy: 1.0621719447709945
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.0521939594073404
Energy: 1.2255054247905721
Energy: 1.0521939594063061
Energy: 1.2255054247905721
Energy: 1.0521939594073404
Energy: 1.2255054247905721
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.2040545889577259
Energy: 1.1013926914863004
Energy: 1.2040545889566918
Energy: 1.1013926914873344
Energy: 1.2040545889566918
Energy: 1.1013926914873344
Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.2040369419163754
Energy: 1.0621719447699602
Energy: 1.2040369419174095
Energy: 1.0621719447699602
Energy: 1.2040369419163754
Energy: 1.0621719447709945
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.0521939594063061
Energy: 1.213323955144372
Energy: 1.0521939594073404
Energy: 1.2133239551474748
Energy: 1.0521939594063061
Energy: 1.2133239551454063
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.2040545889566918
Energy: 1.115943175941993
Energy: 1.2040545889556573
Energy: 1.115943175941993
Energy: 1.2040545889566918
Energy: 1.1159431759409588
Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.063493722126332
Energy: 1.2593522975776017
Energy: 1.063493722126332
Energy: 1.2593522975786362
Energy: 1.2040369419174095
Energy: 1.0621719447699602
Energy: 1.2040369419174095
Energy: 1.0621719447709945
Energy: 1.2040369419174095
Energy: 1.0621719447709945
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.1938210986656173
Energy: 1.0616606103323725
Energy: 1.0521939594073404
Energy: 1.2098145199068486
Energy: 1.0521939594073404
Energy: 1.2098145199068486
Energy: 1.0521939594073404
Energy: 1.2098145199047805
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.1940209756679543
Energy: 1.0616369728283856
Energy: 1.1940209756679543
Energy: 1.0616369728283856

minimum gb energy = 1.0521939594063061 eV
minimum distance =  2.32941918741508 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.1892770056467554
Energy: 1.2421245713219229
Energy: 1.189277005645911
Energy: 1.2421245713219229
Energy: 1.1892770056467554
Energy: 1.2421245713219229
Energy: 1.1689301644235846
Energy: 1.1650496315877037
Energy: 1.1689301644235846
Energy: 1.1650496315877037
Energy: 1.1689301644227401
Energy: 1.1650496315877037
Energy: 1.200581073963893
Energy: 1.1566725425770759
Energy: 1.2005810739630485
Energy: 1.1566725425770759
Energy: 1.2005810739647373
Energy: 1.1566725425770759
Energy: 1.13578374691246
Energy: 1.2664461402572142
Energy: 1.1357837469116157
Energy: 1.2664461402580587
Energy: 1.1357837469116157
Energy: 1.2664461402572142
Energy: 1.1840151351141974
Energy: 1.1645301154523642
Energy: 1.1840151351141974
Energy: 1.1645301154515195
Energy: 1.184015135115886
Energy: 1.1645301154523642
Energy: 1.207390779669615
Energy: 1.1805385018489392
Energy: 1.207390779669615
Energy: 1.1805385018489392
Energy: 1.207390779669615
Energy: 1.1805385018489392
Energy: 1.1640851820528029
Energy: 1.2206480517881144
Energy: 1.1640851820544915
Energy: 1.2206480517881144
Energy: 1.164085182053647
Energy: 1.22064805178727
Energy: 1.11617775088044
Energy: 1.230198069426219
Energy: 1.1161777508812845
Energy: 1.2301980694253745
Energy: 1.1161777508812845
Energy: 1.2301980694253745
Energy: 1.3022029790942538
Energy: 1.1960200475926137
Energy: 1.3022029790942538
Energy: 1.1960200475926137
Energy: 1.3022029790950982
Energy: 1.1960200475917693
Energy: 1.1355846944084766
Energy: 1.2119866179353058
Energy: 1.1355846944093213
Energy: 1.2119866179353058
Energy: 1.1355846944093213
Energy: 1.21198661793615
Energy: 1.1674622650242796
Energy: 1.2171702264416342
Energy: 1.1674622650234352
Energy: 1.2171702264399453
Energy: 1.167462265021746
Energy: 1.2171702264407898
Energy: 1.2262965952103528
Energy: 1.1907690984549453
Energy: 1.2262965950837583
Energy: 1.1907690984557897
Energy: 1.2262965947528777
Energy: 1.1907690984557897
Energy: 1.1236141424784267
Energy: 1.1801756124001268
Energy: 1.1236141424784267
Energy: 1.1801756124001268
Energy: 1.1236141424784267
Energy: 1.1801756124001268
Energy: 1.185203185440873
Energy: 1.24182153006956
Energy: 1.185203185440873
Energy: 1.2418215300687157
Energy: 1.185203185440873
Energy: 1.24182153006956
Energy: 1.2335935323847718
Energy: 1.177271173279214
Energy: 1.233593532383927
Energy: 1.177271173279214
Energy: 1.3141015564714709
Energy: 1.177271173279214
Energy: 1.1768581408027854
Energy: 1.2333174987786184
Energy: 1.1768581408027854
Energy: 1.2333174987794628
Energy: 1.1768581408027854
Energy: 1.2333174987794628
Energy: 1.2128839110093388
Energy: 1.2503293309406447
Energy: 1.2128839110093388
Energy: 1.2503293309414891
Energy: 1.2128839110093388
Energy: 1.2503293309414891
Energy: 1.3638702545481591
Energy: 1.1780635637954995
Energy: 1.3638702545464703
Energy: 1.1780635637954995
Energy: 1.3638702545473147
Energy: 1.178063563794655
Energy: 1.135837957228271
Energy: 1.2361492611921503
Energy: 1.135837957228271
Energy: 1.2361492611913056
Energy: 1.1358379572291155
Energy: 1.2361492611913056
Energy: 1.1689819328841724
Energy: 1.1788942061662064
Energy: 1.1689819328850173
Energy: 1.1788942061670509
Energy: 1.1689819328850173
Energy: 1.1788942061662064
Energy: 1.2323736777908416
Energy: 1.1415684397148618
Energy: 1.2323736777908416
Energy: 1.1415684397140173
Energy: 1.2323736777908416
Energy: 1.1415684397140173

minimum gb energy = 1.11617775088044 eV
minimum distance =  2.32228958242758 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.2323610390180342
Energy: 1.2540247916836635
Energy: 1.182222133257776
Energy: 1.2540247916836635
Energy: 1.2323610390180342
Energy: 1.2540247916843754
Energy: 1.2315702878732269
Energy: 1.106469098257601
Energy: 1.2315702878725152
Energy: 1.1064690982597365
Energy: 1.2315702878725152
Energy: 1.1064690982597365
Energy: 1.2736928799663236
Energy: 1.138075480133317
Energy: 1.2736928799663236
Energy: 1.138075480133317
Energy: 1.2736928799670353
Energy: 1.138075480133317
Energy: 1.1350499716193134
Energy: 1.2261357367623684
Energy: 1.13504997161789
Energy: 1.2261357367630803
Energy: 1.1350499716186015
Energy: 1.2261357367616568
Energy: 1.1063950805655842
Energy: 1.1807562391835107
Energy: 1.1063950805648723
Energy: 1.1807562391835107
Energy: 1.1063950805641602
Energy: 1.1807562391835107
Energy: 1.2642964675673916
Energy: 1.2036836155241377
Energy: 1.2642964675673916
Energy: 1.2036836155241377
Energy: 1.26429646756668
Energy: 1.2036836155234258
Energy: 1.1062231294497353
Energy: 1.2098559607472135
Energy: 1.1062231294497353
Energy: 1.2098559607479253
Energy: 1.1062231294504472
Energy: 1.20985596074579
Energy: 1.2339353744831993
Energy: 1.2746431586720413
Energy: 1.2339353744831993
Energy: 1.2746431586720413
Energy: 1.2339353744831993
Energy: 1.2746431586720413
Energy: 1.2965181030205972
Energy: 1.140974867327039
Energy: 1.297824557873398
Energy: 1.1409748673277509
Energy: 1.2965181030234443
Energy: 1.1409748673277509
Energy: 1.190703925398835
Energy: 1.117218620756833
Energy: 1.1930641934200208
Energy: 1.117218620758257
Energy: 1.1907039253974114
Energy: 1.117218620758257
Energy: 1.2912763478071927
Energy: 1.2635856431111474
Energy: 1.2920335844088604
Energy: 1.2635856431289434
Energy: 1.2912763478071927
Energy: 1.263585643089113
Energy: 1.1950526513727036
Energy: 1.1056872059496197
Energy: 1.1950526513734154
Energy: 1.1056872059496197
Energy: 1.1950526513734154
Energy: 1.1056872059503315
Energy: 1.2758720203395064
Energy: 1.2377437557565594
Energy: 1.2758720203387948
Energy: 1.2377437557572712
Energy: 1.2758720203395064
Energy: 1.2377437557572712
Energy: 1.106686610868556
Energy: 1.1975665846039016
Energy: 1.106686610868556
Energy: 1.1975665846039016
Energy: 1.106686610868556
Energy: 1.1975665846039016
Energy: 1.2618094031832594
Energy: 1.1863112804772535
Energy: 1.2647020675230913
Energy: 1.1863112804772535
Energy: 1.2618094031825473
Energy: 1.1863112804772535
Energy: 1.1064518431863197
Energy: 1.167650269032855
Energy: 1.1064518431870316
Energy: 1.167650269032855
Energy: 1.1064518431863197
Energy: 1.167650269032855
Energy: 1.233735843162932
Energy: 1.2844433947835363
Energy: 1.233735843162932
Energy: 1.284443394793502
Energy: 1.233735843162932
Energy: 1.2844433947828244
Energy: 1.215967651924985
Energy: 1.0809094969344721
Energy: 1.2159676519278322
Energy: 1.0809094969344721
Energy: 1.2159676519271203
Energy: 1.0809094969344721
Energy: 1.246077296968091
Energy: 1.1063851971394167
Energy: 1.2174605077968716
Energy: 1.1063851971394167
Energy: 1.246077296968091
Energy: 1.1063851971408407
Energy: 1.2323610390180342
Energy: 1.2540247916829517
Energy: 1.182222133258488
Energy: 1.2540247916829517
Energy: 1.2323610390173225
Energy: 1.2540247916829517
Energy: 1.2315702878725152
Energy: 1.1064690982597365
Energy: 1.2315702878725152
Energy: 1.1064690982597365
Energy: 1.2315702878725152
Energy: 1.1064690982583127
Energy: 1.2736928799663236
Energy: 1.138075480134029
Energy: 1.2736928799663236
Energy: 1.138075480133317
Energy: 1.2736928799663236
Energy: 1.138075480134029
Energy: 1.1350499716186015
Energy: 1.2261357367623684
Energy: 1.13504997161789
Energy: 1.2261357367630803
Energy: 1.13504997161789
Energy: 1.2261357367623684
Energy: 1.1063950805641602
Energy: 1.1807562391835107
Energy: 1.1063950805648723
Energy: 1.1807562391835107
Energy: 1.1063950805641602
Energy: 1.180756239182799
Energy: 1.2642964675673916
Energy: 1.2036836155241377
Energy: 1.26429646756668
Energy: 1.2036836155241377
Energy: 1.26429646756668
Energy: 1.2036836155248496

minimum gb energy = 1.0809094969344721 eV
minimum distance =  2.29647477557685 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.1195661860574007
Energy: 1.1640648372981839
Energy: 1.119566186059244
Energy: 1.1640648372975697
Energy: 1.1195661860580153
Energy: 1.1640648372981839
Energy: 1.1516264537991325
Energy: 1.0675389996529263
Energy: 1.1516264537991325
Energy: 1.0675389996523121
Energy: 1.1516264537991325
Energy: 1.0675389996529263
Energy: 1.1386809041074268
Energy: 1.0523949019212462
Energy: 1.1386809041080412
Energy: 1.0523949019212462
Energy: 1.1386809041080412
Energy: 1.0523949019212462
Energy: 1.0576086355031535
Energy: 1.1116617771480757
Energy: 1.0576086355031535
Energy: 1.1116617771480757
Energy: 1.057608635503768
Energy: 1.1116617771480757
Energy: 1.0703299787723108
Energy: 1.1154326158807368
Energy: 1.0703299787723108
Energy: 1.1154326158807368
Energy: 1.0703299787723108
Energy: 1.115432615881323
Energy: 1.135106374306205
Energy: 1.0792404601486978
Energy: 1.135106374306205
Energy: 1.0792404601480832
Energy: 1.1351063743055907
Energy: 1.0792404601486978
Energy: 1.0456737186748895
Energy: 1.110100534743398
Energy: 1.0456737186755038
Energy: 1.1101005347440125
Energy: 1.0456737186761185
Energy: 1.1101005347427835
Energy: 1.0708600392829757
Energy: 1.1461459732366859
Energy: 1.0708600392829757
Energy: 1.1461459732366859
Energy: 1.0708600392829757
Energy: 1.1461459732366859
Energy: 1.198928493876419
Energy: 1.0555160504800734
Energy: 1.1989284938758047
Energy: 1.0555160504800734
Energy: 1.1989284938758047
Energy: 1.0555160504800734
Energy: 1.081613631736245
Energy: 1.0984243213237852
Energy: 1.0816136317368594
Energy: 1.0984243213237852
Energy: 1.0816136317368594
Energy: 1.0984243213243996
Energy: 1.077986011921778
Energy: 1.1570907400723258
Energy: 1.0779860119223923
Energy: 1.1570907400729402
Energy: 1.0779860119223923
Energy: 1.1570907400723258
Energy: 1.1485530529245274
Energy: 1.0570762191810212
Energy: 1.1485530529245274
Energy: 1.0570762191810212
Energy: 1.1485530529245274
Energy: 1.0570762191810212
Energy: 1.070716668492389
Energy: 1.128371119230364
Energy: 1.0707166684917744
Energy: 1.1283711192297496
Energy: 1.0707166684930036
Energy: 1.1283711192309784
Energy: 1.0757372665063207
Energy: 1.1312901425012805
Energy: 1.0757372665069351
Energy: 1.1312901425018946
Energy: 1.0757372665069351
Energy: 1.1312901425018946
Energy: 1.1260854154521018
Energy: 1.0567568043955868
Energy: 1.1260854154514874
Energy: 1.0567568043962012
Energy: 1.1260854154521018
Energy: 1.0567568043955868
Energy: 1.128768322524061
Energy: 1.0715224918963642
Energy: 1.1287683225234466
Energy: 1.0715224918963642
Energy: 1.128768322524061
Energy: 1.0715224918963642
Energy: 1.0589663856474503
Energy: 1.1366560993210175
Energy: 1.0589663856474503
Energy: 1.1366560993210175
Energy: 1.0589663856474503
Energy: 1.136656099320403
Energy: 1.1146283657248286
Energy: 1.0876672082624543
Energy: 1.1146283657242142
Energy: 1.08766720826184
Energy: 1.1146283657242142
Energy: 1.08766720826184
Energy: 1.142260160083804
Energy: 1.0980807675825528
Energy: 1.1422601600844184
Energy: 1.0980807675825528
Energy: 1.142260160083804
Energy: 1.0980807675825528
Energy: 1.058318238087244
Energy: 1.176054146283914
Energy: 1.0583182380878586
Energy: 1.1760541462845284
Energy: 1.058318238087244
Energy: 1.1760541462845284
Energy: 1.039218240724407
Energy: 1.1452255993435778
Energy: 1.039218240724407
Energy: 1.1452255993435778
Energy: 1.0392182407237922
Energy: 1.1452255993435778
Energy: 1.2113027959255385
Energy: 1.0516157453972401
Energy: 1.2113027959249238
Energy: 1.0516157453972401
Energy: 1.2113027959255385
Energy: 1.0516157453978543
Energy: 1.1131120869200333
Energy: 1.1283623434941334
Energy: 1.1131120869200333
Energy: 1.1283623434935188
Energy: 1.1131120869200333
Energy: 1.1283623434935188
Energy: 1.1083191491110669
Energy: 1.1477976182552678
Energy: 1.1083191491110669
Energy: 1.1477976182552678
Energy: 1.1083191491110669
Energy: 1.1477976182552678
Energy: 1.1188376590774736
Energy: 1.053812441613224
Energy: 1.1188376590774736
Energy: 1.053812441613224
Energy: 1.1188376590774736
Energy: 1.0538124416138384
Energy: 1.1120708224444467
Energy: 1.0814750018711659
Energy: 1.1120708224444467
Energy: 1.0814750018717805
Energy: 1.1120708224444467
Energy: 1.0814750018711659
Energy: 1.0392883149472583
Energy: 1.1481093632680446
Energy: 1.0392883149472583
Energy: 1.1481093632680446
Energy: 1.0392883149472583
Energy: 1.1481093632680446
Energy: 1.1134476033486227
Energy: 1.077544402152479
Energy: 1.1134476033486227
Energy: 1.077544402152479
Energy: 1.1134476033486227
Energy: 1.0775444021530936
Energy: 1.143046325982415
Energy: 1.0969320421364137
Energy: 1.143046325982415
Energy: 1.0969320421357989
Energy: 1.1430463259830295
Energy: 1.0969320421357989

minimum gb energy = 1.0392182407237922 eV
minimum distance =  2.31535063137517 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.0741834707089224
Energy: 1.0745359580432685
Energy: 1.0741834707089224
Energy: 1.0745359580432685
Energy: 1.0741834707089224
Energy: 1.0745359580432685
Energy: 1.0563937070235683
Energy: 1.0361565868528544
Energy: 1.0563937070235683
Energy: 1.0361565868528544
Energy: 1.0563937070241085
Energy: 1.0361565868528544
Energy: 1.0746391976930842
Energy: 1.0150661609859644
Energy: 1.0746391976925442
Energy: 1.0150661609859644
Energy: 1.0746391976925442
Energy: 1.0150661609859644
Energy: 0.9856839170150241
Energy: 1.1688314707698408
Energy: 0.9856839170150241
Energy: 1.168831470770872
Energy: 0.985683917014484
Energy: 1.168831470770381
Energy: 1.0210164554979675
Energy: 1.0646730372391007
Energy: 1.0210164554985077
Energy: 1.064673037239641
Energy: 1.0210164554979675
Energy: 1.064673037239641
Energy: 1.0488929456129792
Energy: 1.0130076057000468
Energy: 1.0488929456129792
Energy: 1.0130076057000468
Energy: 1.0488929456129792
Energy: 1.013007605700587
Energy: 1.0189296326810318
Energy: 1.0788747705428474
Energy: 1.0189296326810318
Energy: 1.078874770541767
Energy: 1.018929632681572
Energy: 1.0788747705423074
Energy: 0.9927352051050151
Energy: 1.077998721543617
Energy: 0.992735205104475
Energy: 1.0779987215446976
Energy: 0.992735205104475
Energy: 1.077998721544157
Energy: 1.0502899004703992
Energy: 1.0085608767307892
Energy: 1.050289900469859
Energy: 1.008560876731329
Energy: 1.0502899004703992
Energy: 1.0085608767307892
Energy: 1.019208548081423
Energy: 1.0365228154814254
Energy: 1.0192085480819633
Energy: 1.0365228154808852
Energy: 1.0192085480819633
Energy: 1.0365228154814254
Energy: 0.9905291615133692
Energy: 1.2781562803707784
Energy: 0.9905291615139095
Energy: 1.2781562803669972
Energy: 0.9905291615144495
Energy: 1.2781562803637567
Energy: 1.1412350371849087
Energy: 1.0611347929580999
Energy: 1.1412350371849087
Energy: 1.06113479295864
Energy: 1.1412350371838285
Energy: 1.06113479295864
Energy: 1.0372760827400984
Energy: 1.0146783955805885
Energy: 1.0372760827411784
Energy: 1.014678395579508
Energy: 1.0372760827400984
Energy: 1.014678395580048
Energy: 1.0929123883540055
Energy: 1.071304610444512
Energy: 1.0929123883540055
Energy: 1.071304610444512
Energy: 1.0929123883540055
Energy: 1.071304610444512
Energy: 1.0560470473701575
Energy: 1.1171910736233737
Energy: 1.0560470473712378
Energy: 1.1171910736255342
Energy: 1.056047047372318
Energy: 1.1171910736228337
Energy: 1.0733542215503817
Energy: 1.010102028341619
Energy: 1.0733542215498415
Energy: 1.010102028341079
Energy: 1.0733542215503817
Energy: 1.0101020283421593
Energy: 0.9906655054228247
Energy: 1.1681451794823519
Energy: 0.9906655054233648
Energy: 1.1681451794823519
Energy: 0.9906655054228247
Energy: 1.1681451794834323
Energy: 0.9926701993144447
Energy: 1.0380687813173368
Energy: 0.9926701993139045
Energy: 1.0380687813205776
Energy: 0.9926701993139045
Energy: 1.0380687813167968
Energy: 1.051632090284124
Energy: 1.0092625772920631
Energy: 1.051632090284124
Energy: 1.0092625772915231
Energy: 1.051632090284124
Energy: 1.0092625772926032
Energy: 1.0182092215702252
Energy: 1.018703378672942
Energy: 1.0182092215696852
Energy: 1.018703378674022
Energy: 1.0182092215713057
Energy: 1.018703378674022
Energy: 0.9873320911100526
Energy: 1.1917152684932875
Energy: 0.9873320911100526
Energy: 1.1917152684927472
Energy: 0.9873320911105927
Energy: 1.1917152684938277
Energy: 1.0893871046586245
Energy: 1.0127260448599282
Energy: 1.0893871046580843
Energy: 1.0127260448599282
Energy: 1.0893871046586245
Energy: 1.0127260448599282
Energy: 1.0891794370150165
Energy: 1.0150008606977903
Energy: 1.0891794370150165
Energy: 1.0150008606983305
Energy: 1.0891794370150165
Energy: 1.0150008606977903
Energy: 0.9860545647860217
Energy: 1.213172409488669
Energy: 0.9860545647860217
Energy: 1.213172409488669
Energy: 0.9860545647860217
Energy: 1.213172409488669
Energy: 1.091965042750603
Energy: 1.1193152885587199
Energy: 1.0919650427500625
Energy: 1.1193152885587199
Energy: 1.0919650427500625
Energy: 1.1193152885587199
Energy: 1.1126633237102572
Energy: 1.0618535970493466
Energy: 1.1126633237107972
Energy: 1.0618535970493466
Energy: 1.1126633237102572
Energy: 1.0618535970498866
Energy: 1.0891496880810245
Energy: 1.0599412783210038
Energy: 1.0891496880804843
Energy: 1.0599412783199236
Energy: 1.0891496880804843
Energy: 1.0599412783210038
Energy: 1.0594843916120764
Energy: 1.074259107346393
Energy: 1.0594843916120764
Energy: 1.0742591073474732
Energy: 1.0594843916120764
Energy: 1.0742591073490937
Energy: 1.1581656577418318
Energy: 1.0090544776992312
Energy: 1.1581656577418318
Energy: 1.0090544776992312
Energy: 1.1581656577407515
Energy: 1.0090544776997714
Energy: 0.9861769659523459
Energy: 1.0739636738303362
Energy: 0.9861769659523459
Energy: 1.073963673828716
Energy: 0.986176965952886
Energy: 1.073963673828176
Energy: 0.9906419691547826
Energy: 1.2068170509470633
Energy: 0.9906419691553228
Energy: 1.2068170509465233
Energy: 0.9906419691553228
Energy: 1.2068170509470633
Energy: 1.0888856593969416
Energy: 1.0138449918098547
Energy: 1.0888856593964016
Energy: 1.0138449918093146
Energy: 1.0888856593964016
Energy: 1.0138449918098547
Energy: 1.0888420506325267
Energy: 1.0085858970580557
Energy: 1.0888420506325267
Energy: 1.0085858970580557
Energy: 1.0888420506330667
Energy: 1.0085858970580557

minimum gb energy = 0.985683917014484 eV
minimum distance =  2.32682204877252 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.018910175928254384
Energy: 0.8587773173806114
Energy: 0.018910175928254384
Energy: 0.8587773173806114
Energy: 0.018910175928254384
Energy: 0.8587773173801625
Energy: 0.020196362079556354
Energy: 0.29774348391096817
Energy: 0.020196362079556354
Energy: 0.29774348391096817
Energy: 0.020196362080005126
Energy: 0.29774348391096817
Energy: 1.0645972198090101
Energy: 0.29762937326066374
Energy: 1.0645972198094094
Energy: 0.29762937326066374
Energy: 1.0645972198094094
Energy: 0.2976293732611125
Energy: 0.020196362079556354
Energy: 0.29774348391096817
Energy: 0.020196362079556354
Energy: 0.29774348391096817
Energy: 0.020196362080005126
Energy: 0.29774348391096817

minimum gb energy = 0.018910175928254384 eV
minimum distance =  2.52675207325542 Angstroms
sigma value = 1