Model name: model_name=Sim_LAMMPS_MEAM_PascuetFernandez_2015_Al__SM_811588957187_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049998886883259
cohesive_energy=3.360254209517774
mass=26.981538
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: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.5510354631050577
Energy: 0.7065520257865945
Energy: 0.5510354631050577
Energy: 0.7065520257863447
Energy: 0.5510354631050577
Energy: 0.7065520257863447
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.5510354631050577
Energy: 0.7065520257865945
Energy: 0.5510354631050577
Energy: 0.7065520257865945
Energy: 0.5510354631050577
Energy: 0.7065520257863447
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.010374398689905175
Energy: 0.5510354631050577
Energy: 0.5510354631050577
Energy: 0.7065520257865945
Energy: 0.5510354631050577
Energy: 0.7065520257865945
Energy: 0.5510354631050577
Energy: 0.7065520257863447

minimum gb energy = 0.010374398689905175 eV
minimum distance =  2.50076612303559 Angstroms
sigma value = 1


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

Energy: 0.702017655460664
Energy: 0.6630356133631611
Energy: 0.702017655460664
Energy: 0.6630356133637625
Energy: 0.702017655460664
Energy: 0.6630356133631611
Energy: 0.762257898808064
Energy: 0.5955925859881064
Energy: 0.762257898808064
Energy: 0.5955925859881064
Energy: 0.7622578988074626
Energy: 0.5955925859881064
Energy: 0.6333825681178564
Energy: 0.7469685516525568
Energy: 0.6333825681184577
Energy: 0.7469685516525568
Energy: 0.6333825681184577
Energy: 0.7469685516525568
Energy: 0.7631102332502866
Energy: 0.6176310409649701
Energy: 0.7631102332508881
Energy: 0.6176310409643686
Energy: 0.7631102332502866
Energy: 0.6176310409643686
Energy: 0.6757611203328311
Energy: 0.7567964636921303
Energy: 0.6757611203328311
Energy: 0.7567964636921303
Energy: 0.6757611203328311
Energy: 0.7567964636921303
Energy: 0.7031830676662215
Energy: 0.6156367249307854
Energy: 0.7031830676656202
Energy: 0.615636724930184
Energy: 0.7031830676656202
Energy: 0.615636724930184
Energy: 0.6516384496387797
Energy: 0.7391860149714633
Energy: 0.6516384496393812
Energy: 0.7391860149714633
Energy: 0.6516384496393812
Energy: 0.7391860149714633
Energy: 0.6588627599166459
Energy: 0.7506822609295751
Energy: 0.6588627599172473
Energy: 0.7506822609295751
Energy: 0.6588627599172473
Energy: 0.7506822609289737
Energy: 0.7170574551102342
Energy: 0.6677869850434957
Energy: 0.7170574551108356
Energy: 0.6677869850434957
Energy: 0.7170574551108356
Energy: 0.6677869850434957
Energy: 0.5946412825948211
Energy: 0.7555077304894368
Energy: 0.5946412825954226
Energy: 0.7555077304894368
Energy: 0.5946412825948211
Energy: 0.7555077304894368
Energy: 0.7666631409821321
Energy: 0.6057781124631941
Energy: 0.7666631409821321
Energy: 0.6057781124631941
Energy: 0.7666631409821321
Energy: 0.6057781124631941
Energy: 0.5635332449141378
Energy: 0.8227009064636569
Energy: 0.5635332449141378
Energy: 0.8227009064636569
Energy: 0.5635332449141378
Energy: 0.8227009064636569
Energy: 0.7517735904586723
Energy: 0.5688178113374149
Energy: 0.7517735904580709
Energy: 0.5688178113374149
Energy: 0.7517735904580709
Energy: 0.5688178113374149
Energy: 0.6100120308133233
Energy: 0.7023109803495279
Energy: 0.6100120308133233
Energy: 0.7023109803495279
Energy: 0.6100120308133233
Energy: 0.7023109803495279
Energy: 0.7769768143711794
Energy: 0.6160240025949502
Energy: 0.7769768143711794
Energy: 0.6160240025949502
Energy: 0.7769768143711794
Energy: 0.6160240025949502
Energy: 0.7516004569592114
Energy: 0.6926130483581707
Energy: 0.7516004569598127
Energy: 0.6926130483581707
Energy: 0.7516004569592114
Energy: 0.6926130483575692
Energy: 0.6858652592839423
Energy: 0.6711198718277318
Energy: 0.6858652592839423
Energy: 0.6711198718277318
Energy: 0.6858652592839423
Energy: 0.6711198718277318
Energy: 0.7212540321269326
Energy: 0.6294202787669956
Energy: 0.7212540321269326
Energy: 0.6294202787669956
Energy: 0.7212540321269326
Energy: 0.6294202787669956
Energy: 0.6557130264223449
Energy: 0.6307608489808803
Energy: 0.6557130264223449
Energy: 0.6307608489814817
Energy: 0.6557130264223449
Energy: 0.6307608489814817
Energy: 0.7135775849480753
Energy: 0.6156090232094651
Energy: 0.7135775849480753
Energy: 0.6156090232094651
Energy: 0.7135775849480753
Energy: 0.6156090232100666
Energy: 0.6069081939783678
Energy: 0.7596846888104942
Energy: 0.6069081939783678
Energy: 0.7596846888104942
Energy: 0.6069081939783678
Energy: 0.7596846888104942
Energy: 0.7535164793833222
Energy: 0.6729984743846029
Energy: 0.7535164793827207
Energy: 0.6729984743840015
Energy: 0.7535164793827207
Energy: 0.6729984743846029
Energy: 0.5999584574000154
Energy: 0.7632363699751226
Energy: 0.5999584574000154
Energy: 0.7632363699751226
Energy: 0.599958457399414
Energy: 0.7632363699751226

minimum gb energy = 0.5635332449141378 eV
minimum distance =  2.56391273042425 Angstroms
sigma value = 33


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

Energy: 0.7857052050723338
Energy: 0.7130216748728402
Energy: 0.7299476263118209
Energy: 0.7130216748731822
Energy: 0.7857052050723338
Energy: 0.7130216748731822
Energy: 0.770308281077491
Energy: 0.622636650083298
Energy: 0.770308281077491
Energy: 0.622636650083298
Energy: 0.7703082810778331
Energy: 0.622636650083298
Energy: 0.6051788084062679
Energy: 0.6543898854900734
Energy: 0.6051788084062679
Energy: 0.6543898854900734
Energy: 0.6051788084062679
Energy: 0.6543898854900734
Energy: 0.774017214668708
Energy: 0.7210045780051121
Energy: 0.774017214668708
Energy: 0.7210045780051121
Energy: 0.774017214668708
Energy: 0.7210045780051121
Energy: 0.6961981626974805
Energy: 0.663336754137332
Energy: 0.6961981626974805
Energy: 0.663336754137332
Energy: 0.6961981626974805
Energy: 0.663336754137332
Energy: 0.6271240800574143
Energy: 0.6095497480842845
Energy: 0.6271240800570721
Energy: 0.609516029975002
Energy: 0.6271240800570721
Energy: 0.6095497480842845
Energy: 0.7247547771355445
Energy: 0.7105304462580492
Energy: 0.7247547771355445
Energy: 0.7371512748990526
Energy: 0.7247547771355445
Energy: 0.7105304462580492
Energy: 0.5701443710183111
Energy: 0.7907160265246121
Energy: 0.570144371017969
Energy: 0.7907160265249542
Energy: 0.5701443710183111
Energy: 0.7907160265246121
Energy: 0.6752753423010815
Energy: 0.6071275286156806
Energy: 0.6752753423007395
Energy: 0.6071275286156806
Energy: 0.6752753423007395
Energy: 0.6071275286156806
Energy: 0.6114664254164893
Energy: 0.7702154863363192
Energy: 0.611475833282665
Energy: 0.7702154863363192
Energy: 0.6114664254161473
Energy: 0.7702154863363192
Energy: 0.7388655252926603
Energy: 0.6110662557286582
Energy: 0.7388655252926603
Energy: 0.6110662557286582
Energy: 0.7388655252923181
Energy: 0.6110662557286582
Energy: 0.6050825178816511
Energy: 0.6610345636207405
Energy: 0.6050833875000862
Energy: 0.6610345636207405
Energy: 0.6050825178816511
Energy: 0.6610345636203984
Energy: 0.7797685523973912
Energy: 0.5945967228212122
Energy: 0.7797718794571603
Energy: 0.5945967228208701
Energy: 0.7797685523973912
Energy: 0.5945967228208701
Energy: 0.7358083783489733
Energy: 0.7311714064359647
Energy: 0.7358089951496014
Energy: 0.7307718807539019
Energy: 0.7358083783489733
Energy: 0.7311714064356225
Energy: 0.7255132623675584
Energy: 0.6610282174093474
Energy: 0.7255132623675584
Energy: 0.6610282174093474
Energy: 0.7255132623675584
Energy: 0.6610282174093474
Energy: 0.6098902868210666
Energy: 0.6601269893623277
Energy: 0.6098902868214088
Energy: 0.6601269893623277
Energy: 0.6098902868214088
Energy: 0.6601269893623277
Energy: 0.7331786940680141
Energy: 0.7274605814993248
Energy: 0.7331786940680141
Energy: 0.7274605814993248
Energy: 0.7331786940676719
Energy: 0.7274605814993248
Energy: 0.702048882209954
Energy: 0.6046063412389657
Energy: 0.702048882209954
Energy: 0.6045534949145408
Energy: 0.702048882209954
Energy: 0.6046063412389657
Energy: 0.6358597639634288
Energy: 0.6497566381022131
Energy: 0.6358597639634288
Energy: 0.6307907087587408
Energy: 0.6358597639634288
Energy: 0.6497566381008447
Energy: 0.7230540160835007
Energy: 0.7373008999551096
Energy: 0.7234714265512824
Energy: 0.7095125221981275
Energy: 0.7230540160835007
Energy: 0.7373008999551096
Energy: 0.5837456550625763
Energy: 0.8084240611044791
Energy: 0.5837109306388646
Energy: 0.8084240611044791
Energy: 0.5837456550622341
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Energy: 0.6578343752690174
Energy: 0.6066347069650628
Energy: 0.6578343752686754
Energy: 0.6066347069650628
Energy: 0.6578343752686754
Energy: 0.6066347069647207
Energy: 0.6083701054019779
Energy: 0.7926650214005414
Energy: 0.6083572784753866
Energy: 0.7926650214005414
Energy: 0.6083701054019779
Energy: 0.7926650214005414
Energy: 0.7351474944857248
Energy: 0.6783555771830977
Energy: 0.7351474944857248
Energy: 0.6783555771830977
Energy: 0.7351474944857248
Energy: 0.6783555771834398
Energy: 0.6057449104332653
Energy: 0.6287319669084185
Energy: 0.6057632854182171
Energy: 0.6287319669084185
Energy: 0.6057449104332653
Energy: 0.6287319669080764
Energy: 0.8018594088782997
Energy: 0.6942133141515968
Energy: 0.7588052129322236
Energy: 0.6942133141512548
Energy: 0.8018594088782997
Energy: 0.6942133141515968
Energy: 0.773863285875343
Energy: 0.7237998900769205
Energy: 0.7647205659746715
Energy: 0.7237998900762361
Energy: 0.773863285875343
Energy: 0.7237998900762361
Energy: 0.6079223701100611
Energy: 0.6765753871915698
Energy: 0.6079223701100611
Energy: 0.6765753871915698
Energy: 0.6079223701104032
Energy: 0.6765753871915698
Energy: 0.7697739431212821
Energy: 0.6317121355549641
Energy: 0.7697739431216243
Energy: 0.6317121355549641
Energy: 0.7697739431216243
Energy: 0.6317121355549641
Energy: 0.6092068037346116
Energy: 0.779281984188797
Energy: 0.6092068037346116
Energy: 0.779281984188455
Energy: 0.6092068037346116
Energy: 0.779281984188797
Energy: 0.7931790406447615
Energy: 0.6070787515712897
Energy: 0.7931790406451037
Energy: 0.6070623625889459
Energy: 0.7931790406454458
Energy: 0.6070787515716318
Energy: 0.6019583812295163
Energy: 0.767533226642377
Energy: 0.6019583812295163
Energy: 0.7980901469016789
Energy: 0.6019583812295163
Energy: 0.767533226642377
Energy: 0.7307513735796131
Energy: 0.7095197773617724
Energy: 0.7307513735799551
Energy: 0.7376996151472198
Energy: 0.7307513735796131
Energy: 0.7095197773617724
Energy: 0.6618836036579642
Energy: 0.7283674409734975
Energy: 0.6618836036576221
Energy: 0.7283674409731554
Energy: 0.6618836036579642
Energy: 0.7283674409731554
Energy: 0.6596371767953255
Energy: 0.6046805234768279
Energy: 0.6596371767949835
Energy: 0.6046805234768279
Energy: 0.6596371767953255
Energy: 0.6046805234768279
Energy: 0.7074060660717806
Energy: 0.755345539332952
Energy: 0.7074060660714384
Energy: 0.7553455393332941
Energy: 0.7074060660714384
Energy: 0.755345539332952
Energy: 0.6052124003224013
Energy: 0.6996807762419245
Energy: 0.6052163307450104
Energy: 0.6996807762419245
Energy: 0.6052124003224013
Energy: 0.6996807762419245
Energy: 0.628909889987389
Energy: 0.6300520171111915
Energy: 0.622900994262989
Energy: 0.6300520171111915
Energy: 0.628909889987389
Energy: 0.6300520171111915
Energy: 0.7357305712366756
Energy: 0.7207338248884888
Energy: 0.7357318986998035
Energy: 0.7207138815308434
Energy: 0.7357305712366756
Energy: 0.7207338248881467
Energy: 0.8036299661714948
Energy: 0.5796034396203222
Energy: 0.8036299661711528
Energy: 0.5796107446173316
Energy: 0.8036299661714948
Energy: 0.5796034396203222
Energy: 0.6051316153826477
Energy: 0.5838676037362742
Energy: 0.6051316153823055
Energy: 0.5838676037362742
Energy: 0.6051316153826477
Energy: 0.5838676037362742

minimum gb energy = 0.570144371017969 eV
minimum distance =  2.66580669946271 Angstroms
sigma value = 51


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

Energy: 0.6625265270277402
Energy: 0.7428977790721706
Energy: 0.6625265270277402
Energy: 0.7428977790721706
Energy: 0.6625265270277402
Energy: 0.742897779071378
Energy: 0.7244682689899303
Energy: 0.6327718524150264
Energy: 0.7244682689907229
Energy: 0.6327718524150264
Energy: 0.7244682689899303
Energy: 0.6327718524150264
Energy: 0.6323268989684118
Energy: 0.6757538720501811
Energy: 0.6323268989684118
Energy: 0.6757538720501811
Energy: 0.6323268989676192
Energy: 0.6757538720501811
Energy: 0.6823763180576827
Energy: 0.5872393811669667
Energy: 0.6823763180576827
Energy: 0.5872393811669667
Energy: 0.6823763180576827
Energy: 0.5872393811669667
Energy: 0.6898202175607449
Energy: 0.7148484328916282
Energy: 0.6898202175599523
Energy: 0.7148484328916282
Energy: 0.6898202175599523
Energy: 0.7148484328916282
Energy: 0.6801777660140667
Energy: 0.6959980750043838
Energy: 0.6801777660140667
Energy: 0.6959980750043838
Energy: 0.6801777660140667
Energy: 0.6959980750043838
Energy: 0.698136658586249
Energy: 0.6483620649500328
Energy: 0.6981366585870417
Energy: 0.6483620649500328
Energy: 0.698136658586249
Energy: 0.6483620649508255
Energy: 0.6146108669999543
Energy: 0.6589553814548798
Energy: 0.6146108669999543
Energy: 0.6589553814540872
Energy: 0.6146108669999543
Energy: 0.6589553814548798
Energy: 0.7740320401234323
Energy: 0.5883902172674457
Energy: 0.7740320401226398
Energy: 0.5883902172674457
Energy: 0.7740320401226398
Energy: 0.5883902172674457
Energy: 0.5838989114433086
Energy: 0.7456611912948612
Energy: 0.5838989114425159
Energy: 0.7456611912956539
Energy: 0.5838989114425159
Energy: 0.7456611912956539
Energy: 0.7656259056870622
Energy: 0.5761628798668867
Energy: 0.7656259056870622
Energy: 0.5761628798668867
Energy: 0.7656259056870622
Energy: 0.5761628798668867
Energy: 0.6644716398426125
Energy: 0.7235993335131422
Energy: 0.6644716398426125
Energy: 0.7235993335131422
Energy: 0.6644716398426125
Energy: 0.7235993335131422
Energy: 0.7492035991244743
Energy: 0.6462071601001025
Energy: 0.7492035991244743
Energy: 0.6462071600993098
Energy: 0.7492035991244743
Energy: 0.6462071601001025
Energy: 0.6751694315106199
Energy: 0.6153375984092675
Energy: 0.6751694315114125
Energy: 0.6153375984092675
Energy: 0.6751694315106199
Energy: 0.6153375984092675
Energy: 0.6859223963856032
Energy: 0.6856273804624773
Energy: 0.6859223963848106
Energy: 0.6856273804624773
Energy: 0.6859223963856032
Energy: 0.6856273804624773
Energy: 0.6951325425017247
Energy: 0.6742926258632129
Energy: 0.6951325425017247
Energy: 0.6742926258632129
Energy: 0.6951325425017247
Energy: 0.6742926258632129
Energy: 0.7025826130303487
Energy: 0.7508573723664352
Energy: 0.7025826130303487
Energy: 0.7508573723664352
Energy: 0.7025826130303487
Energy: 0.7508573723664352
Energy: 0.6829676517552109
Energy: 0.6481377263009244
Energy: 0.6829676517552109
Energy: 0.6481377263001318
Energy: 0.6829676517552109
Energy: 0.6481377263001318

minimum gb energy = 0.5761628798668867 eV
minimum distance =  2.46616673374206 Angstroms
sigma value = 19


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

Energy: 0.5576554858933656
Energy: 0.5682804503085768
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.6625170745741457
Energy: 0.5633245068960286
Energy: 0.6625170745741457
Energy: 0.563324506896969
Energy: 0.6625170745741457
Energy: 0.5633245068960286
Energy: 0.5566022627498789
Energy: 0.6160176889643407
Energy: 0.5566022627498789
Energy: 0.6160176889638704
Energy: 0.5566022627498789
Energy: 0.6160176889643407
Energy: 0.5616569112587109
Energy: 0.5551976803737817
Energy: 0.5616569112587109
Energy: 0.5551976803737817
Energy: 0.5616569112582407
Energy: 0.5551976803737817
Energy: 0.5520248636051882
Energy: 0.5476075602397815
Energy: 0.552024863604718
Energy: 0.5476075602402517
Energy: 0.5520248636051882
Energy: 0.5476075602411921
Energy: 0.5520084894782957
Energy: 0.5478046068895794
Energy: 0.5520084894778255
Energy: 0.5478046068891093
Energy: 0.5520084894782957
Energy: 0.5478046068891093
Energy: 0.5615283300157262
Energy: 0.555183941545523
Energy: 0.561528330014786
Energy: 0.555183941545523
Energy: 0.561528330014786
Energy: 0.555183941545523
Energy: 0.556565037833296
Energy: 0.5640365897131643
Energy: 0.556565037833296
Energy: 0.5640365897070521
Energy: 0.556565037833296
Energy: 0.5640365897089327
Energy: 0.6624891993396569
Energy: 0.6336040167012044
Energy: 0.6624891993396569
Energy: 0.6336040167007342
Energy: 0.6624891993396569
Energy: 0.6336040167021446
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.6625170745741457
Energy: 0.5633245068950883
Energy: 0.6625170745741457
Energy: 0.5633245069007303
Energy: 0.6625170745741457
Energy: 0.563324506896969
Energy: 0.5566022627498789
Energy: 0.616017688965281
Energy: 0.5566022627498789
Energy: 0.6160176889648107
Energy: 0.5566022627503491
Energy: 0.6160176889643407
Energy: 0.5616569112582407
Energy: 0.5551976803737817
Energy: 0.5616569112587109
Energy: 0.5551976803737817
Energy: 0.5616569112596511
Energy: 0.5551976803737817
Energy: 0.5520248636056584
Energy: 0.5476075602402517
Energy: 0.5520248636051882
Energy: 0.5476075602388413
Energy: 0.5520248636056584
Energy: 0.5476075602393115
Energy: 0.5520084894782957
Energy: 0.5478046068891093
Energy: 0.5520084894778255
Energy: 0.547804606888169
Energy: 0.5520084894773554
Energy: 0.5478046068891093
Energy: 0.5615283300152561
Energy: 0.555183941545523
Energy: 0.561528330014786
Energy: 0.555183941545523
Energy: 0.561528330014786
Energy: 0.555183941545523
Energy: 0.556565037833296
Energy: 0.5640365897056416
Energy: 0.556565037833296
Energy: 0.5640365897047012
Energy: 0.556565037833296
Energy: 0.5640365897084626
Energy: 0.6624891993391866
Energy: 0.633604016700264
Energy: 0.6624891993391866
Energy: 0.6336040167012044
Energy: 0.6624891993391866
Energy: 0.6336040167012044
Energy: 0.5576554858928955
Energy: 0.568280450309047
Energy: 0.5576554858933656
Energy: 0.5682804503085768
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.6625170745741457
Energy: 0.5633245069044917
Energy: 0.6625170745741457
Energy: 0.5633245068950883
Energy: 0.6625170745741457
Energy: 0.5633245068960286
Energy: 0.5566022627498789
Energy: 0.6160176889638704
Energy: 0.5566022627503491
Energy: 0.616017688965281
Energy: 0.5566022627498789
Energy: 0.6160176889638704
Energy: 0.5616569112587109
Energy: 0.5551976803737817
Energy: 0.5616569112587109
Energy: 0.5551976803737817
Energy: 0.5616569112582407
Energy: 0.5551976803737817
Energy: 0.5520248636051882
Energy: 0.5476075602397815
Energy: 0.5520248636051882
Energy: 0.5476075602402517
Energy: 0.5520248636051882
Energy: 0.5476075602407219
Energy: 0.5520084894778255
Energy: 0.5478046068891093
Energy: 0.5520084894782957
Energy: 0.5478046068895794
Energy: 0.5520084894787659
Energy: 0.5478046068891093
Energy: 0.561528330014786
Energy: 0.555183941545523
Energy: 0.5615283300152561
Energy: 0.555183941545523
Energy: 0.5615283300152561
Energy: 0.555183941545523
Energy: 0.556565037833296
Energy: 0.5640365897089327
Energy: 0.556565037833296
Energy: 0.5640365897051715
Energy: 0.556565037833296
Energy: 0.5640365897047012
Energy: 0.6624891993391866
Energy: 0.6336040167021446
Energy: 0.6624891993391866
Energy: 0.6336040167007342
Energy: 0.6624891993391866
Energy: 0.6336040167007342
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.5576554858928955
Energy: 0.5682804503085768
Energy: 0.5576554858933656
Energy: 0.5682804503085768
Energy: 0.6625170745741457
Energy: 0.563324506896969
Energy: 0.6625170745741457
Energy: 0.5633245068974392
Energy: 0.6625170745741457
Energy: 0.5633245068941479
Energy: 0.5566022627503491
Energy: 0.6160176889648107
Energy: 0.5566022627503491
Energy: 0.6160176889643407
Energy: 0.5566022627498789
Energy: 0.6160176889643407

minimum gb energy = 0.5476075602388413 eV
minimum distance =  2.6818195805682 Angstroms
sigma value = 27


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

Energy: 0.5775651757099426
Energy: 0.5664101931522062
Energy: 0.5775651757110943
Energy: 0.5664101931522062
Energy: 0.5775651757099426
Energy: 0.5664101931522062
Energy: 0.7368161028451002
Energy: 0.5988977137316047
Energy: 0.7368161028451002
Energy: 0.5988977137316047
Energy: 0.7368161028451002
Energy: 0.5988977137316047
Energy: 0.6119813461500978
Energy: 0.6457605770322622
Energy: 0.6119813461500978
Energy: 0.6457605770311106
Energy: 0.6119813461500978
Energy: 0.6457605770322622
Energy: 0.675089492790156
Energy: 0.5579938845220909
Energy: 0.675089492790156
Energy: 0.5579938845220909
Energy: 0.675089492790156
Energy: 0.5579938845220909
Energy: 0.6750352352484993
Energy: 0.5842784313311122
Energy: 0.6750352352484993
Energy: 0.5842784313311122
Energy: 0.6750352352484993
Energy: 0.5842784313311122
Energy: 0.6915247931749583
Energy: 0.6962081399345756
Energy: 0.6915247931749583
Energy: 0.6962081399345756
Energy: 0.6915247931749583
Energy: 0.6962081399357273
Energy: 0.5573415194063316
Energy: 0.5974473104302255
Energy: 0.5573415194063316
Energy: 0.5974473104302255
Energy: 0.5573415194063316
Energy: 0.5974473104302255
Energy: 0.5808128544341806
Energy: 0.5676113419829686
Energy: 0.5808128544341806
Energy: 0.5676113419829686
Energy: 0.5808128544341806
Energy: 0.5676113419829686
Energy: 0.6762129528645416
Energy: 0.5714949205294595
Energy: 0.6762129528645416
Energy: 0.5714949239184844
Energy: 0.6762129528645416
Energy: 0.571494924413467
Energy: 0.5883928554483032
Energy: 0.729748519024953
Energy: 0.5883928554483032
Energy: 0.729748519024953
Energy: 0.5883928554483032
Energy: 0.729748519024953
Energy: 0.6668073378040145
Energy: 0.5552161274384947
Energy: 0.6668073378040145
Energy: 0.5552161274396463
Energy: 0.6668073378040145
Energy: 0.5552161274384947
Energy: 0.7487901814108219
Energy: 0.6930859372900682
Energy: 0.7487901814119736
Energy: 0.6930859372900682
Energy: 0.7487901814108219
Energy: 0.6930859372900682

minimum gb energy = 0.5552161274384947 eV
minimum distance =  2.59295946101832 Angstroms
sigma value = 9


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

Energy: 0.6269956862635359
Energy: 0.5929395210017833
Energy: 0.6269956862632122
Energy: 0.5929395210024304
Energy: 0.6269956862632122
Energy: 0.5929395210024304
Energy: 0.6660715819233618
Energy: 0.5801087910284405
Energy: 0.6660715819233618
Energy: 0.5801087910287641
Energy: 0.6660715819236853
Energy: 0.5801087910284405
Energy: 0.5477973974710555
Energy: 0.7010330317804389
Energy: 0.5477973974713791
Energy: 0.7010330317804389
Energy: 0.5477973974723499
Energy: 0.7010330317801152
Energy: 0.5630251781691388
Energy: 0.5416202259484046
Energy: 0.5630251781688151
Energy: 0.5416202259480811
Energy: 0.5630251781691388
Energy: 0.5416202259484046
Energy: 0.5961897593963414
Energy: 0.5712449059936553
Energy: 0.5961897593960178
Energy: 0.5712449059936553
Energy: 0.5961897593960178
Energy: 0.5712449059933317
Energy: 0.5933446942723862
Energy: 0.6498116638890546
Energy: 0.5933446942720626
Energy: 0.6498116638897019
Energy: 0.5933446942727099
Energy: 0.6498116638903492
Energy: 0.6101644901229861
Energy: 0.6144450856708566
Energy: 0.610164490122339
Energy: 0.6144450856708566
Energy: 0.6101644901226626
Energy: 0.6144450856708566
Energy: 0.5261544497783461
Energy: 0.6093893435613283
Energy: 0.5261544497783461
Energy: 0.609389343561652
Energy: 0.5261544497783461
Energy: 0.609389343561652
Energy: 0.7422722793501668
Energy: 0.5700718236094784
Energy: 0.7422722793501668
Energy: 0.5700718236094784
Energy: 0.7422722793504904
Energy: 0.5700718236094784
Energy: 0.5965287076804489
Energy: 0.6949365985152995
Energy: 0.5965287076804489
Energy: 0.6949365985152995
Energy: 0.5965287076801252
Energy: 0.6949365985152995
Energy: 0.565693463940922
Energy: 0.5370367912908092
Energy: 0.565693463940922
Energy: 0.5370367912908092
Energy: 0.565693463940922
Energy: 0.5370367912908092
Energy: 0.5654528628102027
Energy: 0.634842769549282
Energy: 0.5654528628105263
Energy: 0.634842769549282
Energy: 0.5654528628102027
Energy: 0.634842769549282
Energy: 0.6679685106229197
Energy: 0.6365905594261494
Energy: 0.6679685106229197
Energy: 0.6365905594261494
Energy: 0.6679685106225961
Energy: 0.6365905594261494
Energy: 0.6923171440141042
Energy: 0.6053523614024564
Energy: 0.692317144013457
Energy: 0.6053523614024564
Energy: 0.6923171440137806
Energy: 0.6053523614024564
Energy: 0.5556537763077212
Energy: 0.5843614651002379
Energy: 0.5556537763070739
Energy: 0.5843614650999143
Energy: 0.5556537763067503
Energy: 0.5843614650999143
Energy: 0.6940136804825461
Energy: 0.6538991370019696
Energy: 0.6940136804809282
Energy: 0.6538991370013224
Energy: 0.6940136804809282
Energy: 0.653899137003264
Energy: 0.6583946691982597
Energy: 0.6591886790895018
Energy: 0.6583946691982597
Energy: 0.6591886790895018
Energy: 0.6583946691982597
Energy: 0.6591886790891782
Energy: 0.5636695712522506
Energy: 0.5676662690618361
Energy: 0.5636695712522506
Energy: 0.5676662690621598
Energy: 0.5636695712522506
Energy: 0.5676662690621598
Energy: 0.530353516517413
Energy: 0.663995942312675
Energy: 0.5303535165170894
Energy: 0.663995942312675
Energy: 0.5303535165170894
Energy: 0.6639959423123515
Energy: 0.6835413592352347
Energy: 0.6339249061513377
Energy: 0.6835413592349111
Energy: 0.6339249061513377
Energy: 0.6835413592349111
Energy: 0.6339249061516613
Energy: 0.5306058653844665
Energy: 0.6640786902751661
Energy: 0.5306058653844665
Energy: 0.6640786902751661
Energy: 0.5306058653844665
Energy: 0.6640786902754897
Energy: 0.5634749672882484
Energy: 0.5677893508349083
Energy: 0.5634749672882484
Energy: 0.567789350835232
Energy: 0.5634749672879248
Energy: 0.5677893508349083
Energy: 0.6583991298041729
Energy: 0.6593007974423675
Energy: 0.6583991298044964
Energy: 0.6593007974420438
Energy: 0.6583991298041729
Energy: 0.6593007974420438
Energy: 0.6441166895867761
Energy: 0.688096651268557
Energy: 0.6441166895867761
Energy: 0.688096651268557
Energy: 0.6441166895870998
Energy: 0.6880966512682334
Energy: 0.5555921064407662
Energy: 0.5844557542070916
Energy: 0.5555921064410898
Energy: 0.584455754206768
Energy: 0.5555921064410898
Energy: 0.584455754206768
Energy: 0.6934233841211705
Energy: 0.6057066391854063
Energy: 0.6934233841211705
Energy: 0.6057066391854063
Energy: 0.6934233841208469
Energy: 0.6057066391850828
Energy: 0.6679151139305536
Energy: 0.63650885129339
Energy: 0.6679151139305536
Energy: 0.63650885129339
Energy: 0.6679151139308771
Energy: 0.63650885129339
Energy: 0.5657414847341964
Energy: 0.5454607912684262
Energy: 0.56574148473452
Energy: 0.5454607912684262
Energy: 0.56574148473452
Energy: 0.5454607912687497
Energy: 0.5655402919520205
Energy: 0.5368953329917222
Energy: 0.5655402919520205
Energy: 0.5368953329913987
Energy: 0.5655402919520205
Energy: 0.5368953329913987
Energy: 0.5963120027027109
Energy: 0.7306101750153858
Energy: 0.5963120027027109
Energy: 0.7306101750157094
Energy: 0.5963120027027109
Energy: 0.7306101750153858
Energy: 0.7432006014108101
Energy: 0.5700397910975772
Energy: 0.7432006014108101
Energy: 0.5700397910975772
Energy: 0.7432006014108101
Energy: 0.5700397910972537
Energy: 0.5261588962508765
Energy: 0.6094363979706997
Energy: 0.5261588962512002
Energy: 0.6094363979706997
Energy: 0.5261588962512002
Energy: 0.6094363979706997
Energy: 0.6100708822636118
Energy: 0.6143923547762173
Energy: 0.6100708822636118
Energy: 0.6143923547762173
Energy: 0.6100708822636118
Energy: 0.6143923547762173
Energy: 0.5934209775511503
Energy: 0.5782150473458605
Energy: 0.5934209775508268
Energy: 0.5782150473452132
Energy: 0.5934209775508268
Energy: 0.5782150473452132
Energy: 0.5962714732072176
Energy: 0.5711916632908938
Energy: 0.5962714732072176
Energy: 0.5711916632905703
Energy: 0.596271473206894
Energy: 0.5711916632908938
Energy: 0.5629556617822649
Energy: 0.5415521087105968
Energy: 0.5629556617822649
Energy: 0.5415521087105968
Energy: 0.5629556617822649
Energy: 0.5415521087109204
Energy: 0.5477705940829641
Energy: 0.7012197166020863
Energy: 0.5477705940826406
Energy: 0.7012197166020863
Energy: 0.5477705940826406
Energy: 0.7012197166017626
Energy: 0.6664222823284075
Energy: 0.5875201846392919
Energy: 0.6664222823284075
Energy: 0.5875201846396154
Energy: 0.6664222823284075
Energy: 0.5875201846392919
Energy: 0.6269956862632122
Energy: 0.5929395210040485
Energy: 0.6269956862628886
Energy: 0.5929395210037248
Energy: 0.6269956862635359
Energy: 0.5929395210024304
Energy: 0.6660715819233618
Energy: 0.575423367568952
Energy: 0.6660715819236853
Energy: 0.5754233675686283
Energy: 0.6660715819233618
Energy: 0.575423367568952
Energy: 0.5477973974717026
Energy: 0.7010330317804389
Energy: 0.5477973974710555
Energy: 0.7010330317807625
Energy: 0.547797397470732
Energy: 0.7010330317804389
Energy: 0.5630251781694624
Energy: 0.5416202259484046
Energy: 0.5630251781694624
Energy: 0.5416202259487283
Energy: 0.5630251781694624
Energy: 0.5416202259487283
Energy: 0.5961897593960178
Energy: 0.5712449059936553
Energy: 0.5961897593963414
Energy: 0.5712449059936553
Energy: 0.5961897593960178
Energy: 0.5712449059936553

minimum gb energy = 0.5261544497783461 eV
minimum distance =  2.6053109782151 Angstroms
sigma value = 57


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

Energy: 0.3467779334669815
Energy: 0.35306703905744435
Energy: 0.3467779334669815
Energy: 0.35306703905744435
Energy: 0.3467779334662449
Energy: 0.35306703905744435
Energy: 0.4193683995579679
Energy: 0.34772030640237617
Energy: 0.4193683995572312
Energy: 0.34772030640090285
Energy: 0.4193683995579679
Energy: 0.34772030640237617
Energy: 0.3743303737650475
Energy: 0.4051322698946793
Energy: 0.3743303737650475
Energy: 0.4051322698946793
Energy: 0.3743303737657842
Energy: 0.4051322698946793
Energy: 0.3556061676358795
Energy: 0.35379649646351397
Energy: 0.3556061676358795
Energy: 0.35379649646351397
Energy: 0.3556061676351429
Energy: 0.35379649646351397
Energy: 0.4161220629731506
Energy: 0.41695971841880447
Energy: 0.4161220629731506
Energy: 0.41695971841880447
Energy: 0.4161220629731506
Energy: 0.41695971841880447
Energy: 0.3471467807151618
Energy: 0.37661958957685665
Energy: 0.3471467807144252
Energy: 0.37661958957685665
Energy: 0.34714678071589844
Energy: 0.37661958957685665
Energy: 0.3472783327080042
Energy: 0.3766273342840779
Energy: 0.3472783327087408
Energy: 0.3766273342848145
Energy: 0.3472783327087408
Energy: 0.3766273342840779
Energy: 0.4181530012609194
Energy: 0.41696389902859116
Energy: 0.4181530012609194
Energy: 0.41696389902859116
Energy: 0.4181530012609194
Energy: 0.41696389902859116
Energy: 0.35615080762353546
Energy: 0.35378873999636984
Energy: 0.35615080762353546
Energy: 0.35378873999636984
Energy: 0.35615080762353546
Energy: 0.35378873999636984
Energy: 0.3742868681380134
Energy: 0.4051944600030138
Energy: 0.37428686813874995
Energy: 0.4051944600030138
Energy: 0.3742868681380134
Energy: 0.4051944600022772
Energy: 0.4169149566579811
Energy: 0.3477570125057155
Energy: 0.4169149566579811
Energy: 0.34775701250424224
Energy: 0.4169149566579811
Energy: 0.34775701250424224
Energy: 0.3467779334669815
Energy: 0.35306703905744435
Energy: 0.3467779334662449
Energy: 0.35306703905744435
Energy: 0.3467779334669815
Energy: 0.35306703905744435
Energy: 0.4193683995579679
Energy: 0.34772030640311274
Energy: 0.4193683995579679
Energy: 0.34772030640237617
Energy: 0.4193683995579679
Energy: 0.34772030640237617
Energy: 0.3743303737657842
Energy: 0.4051322698946793
Energy: 0.3743303737657842
Energy: 0.4051322698946793
Energy: 0.3743303737650475
Energy: 0.4051322698946793
Energy: 0.3556061676358795
Energy: 0.35379649646351397
Energy: 0.3556061676358795
Energy: 0.35379649646351397
Energy: 0.3556061676351429
Energy: 0.35379649646351397
Energy: 0.41612206297388726
Energy: 0.41695971841880447
Energy: 0.4161220629731506
Energy: 0.41695971841880447
Energy: 0.4161220629731506
Energy: 0.41695971841880447
Energy: 0.3471467807136886
Energy: 0.37661958957759334
Energy: 0.3471467807151618
Energy: 0.37661958957685665
Energy: 0.34714678071589844
Energy: 0.37661958957685665
Energy: 0.3472783327072676
Energy: 0.3766273342848145
Energy: 0.3472783327087408
Energy: 0.3766273342840779
Energy: 0.3472783327094774
Energy: 0.3766273342848145
Energy: 0.4181530012609194
Energy: 0.41696389902859116
Energy: 0.4181530012609194
Energy: 0.41696389902859116
Energy: 0.4181530012609194
Energy: 0.41696389902859116

minimum gb energy = 0.3467779334662449 eV
minimum distance =  2.68769453931086 Angstroms
sigma value = 11


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

Energy: 0.5832528322957353
Energy: 0.5531454519764452
Energy: 0.5832528322957353
Energy: 0.5531454519764452
Energy: 0.5832528322957353
Energy: 0.5531454519764452
Energy: 0.6605752372034445
Energy: 0.55705342690362
Energy: 0.6605752372034445
Energy: 0.5570534269041597
Energy: 0.6605752372034445
Energy: 0.5570534269041597
Energy: 0.6293977643641816
Energy: 0.7993398586300061
Energy: 0.6204501307988287
Energy: 0.7993398586294665
Energy: 0.6204501307988287
Energy: 0.7993398586294665
Energy: 0.67987512049743
Energy: 0.5781688231174107
Energy: 0.6798751204979696
Energy: 0.5781688231174107
Energy: 0.67987512049743
Energy: 0.5781688231174107
Energy: 0.5466587682943914
Energy: 0.5195906216499616
Energy: 0.5466587682943914
Energy: 0.5195906216499616
Energy: 0.5466587682943914
Energy: 0.5195906216499616
Energy: 0.5723250821738036
Energy: 0.5569538279909597
Energy: 0.5723250821743431
Energy: 0.5569538279914992
Energy: 0.5723250821738036
Energy: 0.5569538279914992
Energy: 0.6237421487715916
Energy: 0.6907233215854895
Energy: 0.6237421487715916
Energy: 0.6907233215854895
Energy: 0.6237421487721312
Energy: 0.6907233215854895
Energy: 0.5519845374363962
Energy: 0.5036051018996648
Energy: 0.5519845374358566
Energy: 0.5036051018996648
Energy: 0.5519845374358566
Energy: 0.5036051019002042
Energy: 0.5506895373519284
Energy: 0.5098198056239763
Energy: 0.5506895373524681
Energy: 0.5098198056245159
Energy: 0.5506895373519284
Energy: 0.5098198056239763
Energy: 0.5304463153769371
Energy: 0.7143652311837101
Energy: 0.5304463153769371
Energy: 0.7143652311837101
Energy: 0.5304463153769371
Energy: 0.7143652311837101
Energy: 0.6664350702052323
Energy: 0.6353287045007439
Energy: 0.6664350702057719
Energy: 0.6353287045007439
Energy: 0.6664350702052323
Energy: 0.6353287045007439
Energy: 0.546778043773253
Energy: 0.5218292220064454
Energy: 0.546778043773253
Energy: 0.5218292220064454
Energy: 0.5467780437737926
Energy: 0.5218292220064454
Energy: 0.5732467165496918
Energy: 0.5751037492275486
Energy: 0.5732467165496918
Energy: 0.5751037492280883
Energy: 0.5732467165496918
Energy: 0.5751037492280883
Energy: 0.5982495432552121
Energy: 0.729358626284988
Energy: 0.5982495432552121
Energy: 0.7293586262844485
Energy: 0.5982495432557516
Energy: 0.7293586262844485
Energy: 0.695149676637336
Energy: 0.556782462785963
Energy: 0.695149676637336
Energy: 0.5567824627865026
Energy: 0.695149676637336
Energy: 0.5567824627865026
Energy: 0.5831896451759784
Energy: 0.5578401250479996
Energy: 0.5831896451754387
Energy: 0.5578401250485391
Energy: 0.5831896451754387
Energy: 0.5578401250485391
Energy: 0.5615015803612772
Energy: 0.5530948761964226
Energy: 0.5615015803607376
Energy: 0.5530948761964226
Energy: 0.5615015803612772
Energy: 0.5530948761964226
Energy: 0.6628958351079156
Energy: 0.6993098535690889
Energy: 0.6628958351079156
Energy: 0.6993098535685494
Energy: 0.6628958351084553
Energy: 0.6993098535685494
Energy: 0.6617501741693678
Energy: 0.5819927821683841
Energy: 0.6617501741693678
Energy: 0.5819927821683841
Energy: 0.6617501741693678
Energy: 0.5819927821678444
Energy: 0.5538312094952944
Energy: 0.5297820167328223
Energy: 0.5538312094952944
Energy: 0.5297820167328223
Energy: 0.5538312094952944
Energy: 0.5297820167328223
Energy: 0.5131155575316871
Energy: 0.5526266551434044
Energy: 0.5131155575311476
Energy: 0.5526266551428648
Energy: 0.5131155575316871
Energy: 0.5526266551428648
Energy: 0.6288924065255652
Energy: 0.6239578155984781
Energy: 0.6288924065255652
Energy: 0.6239578155984781
Energy: 0.6288924065255652
Energy: 0.6239578155984781
Energy: 0.5551640122677459
Energy: 0.5705910546851238
Energy: 0.5551640122677459
Energy: 0.5705910546851238
Energy: 0.5551640122677459
Energy: 0.5705910546851238
Energy: 0.5515325794519613
Energy: 0.5334611895563823
Energy: 0.5515325794519613
Energy: 0.5334611895563823
Energy: 0.5515325794519613
Energy: 0.5334611895563823
Energy: 0.513134604032134
Energy: 0.7325562883890439
Energy: 0.513134604032134
Energy: 0.7325562883901232
Energy: 0.513134604032134
Energy: 0.7325562883895835
Energy: 0.8024592666826112
Energy: 0.6519899212350823
Energy: 0.8024592666826112
Energy: 0.6519899212350823
Energy: 0.8024592666826112
Energy: 0.6519899212350823

minimum gb energy = 0.5036051018996648 eV
minimum distance =  2.54999109535324 Angstroms
sigma value = 41


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

Energy: 0.6347640824419017
Energy: 0.5449324072559538
Energy: 0.6347640824419017
Energy: 0.5449324072559538
Energy: 0.6347640824414765
Energy: 0.5449324072559538
Energy: 0.6565258975311133
Energy: 0.6049467817332717
Energy: 0.6565258975311133
Energy: 0.6049467817332717
Energy: 0.6565258975311133
Energy: 0.6049467817332717
Energy: 0.6782119587831922
Energy: 0.817563076417931
Energy: 0.6782119587831922
Energy: 0.8175630764187815
Energy: 0.6782119587831922
Energy: 0.8175630764187815
Energy: 0.6244214029256449
Energy: 0.5361084448149435
Energy: 0.6244214029256449
Energy: 0.5361084448149435
Energy: 0.6244214029256449
Energy: 0.5361084448145181
Energy: 0.531080599384375
Energy: 0.5556010436566483
Energy: 0.531080599384375
Energy: 0.555601043657499
Energy: 0.531080599384375
Energy: 0.5556010436566483
Energy: 0.6033253021958044
Energy: 0.6058220939374666
Energy: 0.6033253021958044
Energy: 0.605822093938317
Energy: 0.6033253021962297
Energy: 0.6058220939370412
Energy: 0.5776688112982004
Energy: 0.6861131017696319
Energy: 0.5776688112982004
Energy: 0.6861131017696319
Energy: 0.5776688112982004
Energy: 0.6861131017696319
Energy: 0.550589777676657
Energy: 0.536101828860947
Energy: 0.550589777676657
Energy: 0.5361018288613724
Energy: 0.550589777676657
Energy: 0.5361018288613724
Energy: 0.5413262116104982
Energy: 0.5519633338942863
Energy: 0.5413262116104982
Energy: 0.5519633338934551
Energy: 0.5413262116104982
Energy: 0.5519633338934551
Energy: 0.6157375891696946
Energy: 0.6954285886137427
Energy: 0.6157375891696946
Energy: 0.6954285886137427
Energy: 0.615737589170951
Energy: 0.6954285886137427
Energy: 0.6984790745170815
Energy: 0.6906446154319761
Energy: 0.6984790745170815
Energy: 0.6906446154315508
Energy: 0.6984790745170815
Energy: 0.6906446154319761
Energy: 0.5359009318922344
Energy: 0.562679817410162
Energy: 0.5359009318926596
Energy: 0.562679817410162
Energy: 0.5359009318922344
Energy: 0.562679817410162
Energy: 0.5514838204426384
Energy: 0.5387379447828488
Energy: 0.5514838204426384
Energy: 0.5387379447819981
Energy: 0.5514838204426384
Energy: 0.5387379447819981
Energy: 0.5280532252870973
Energy: 0.734442628641687
Energy: 0.5280532252870973
Energy: 0.734442628641687
Energy: 0.5280532252870973
Energy: 0.734442628641687
Energy: 0.7019414700700286
Energy: 0.6517136161642444
Energy: 0.7019414700704538
Energy: 0.6517136161642444
Energy: 0.7019414700700286
Energy: 0.6517136161642444
Energy: 0.5228322352187718
Energy: 0.5878203637111776
Energy: 0.5228322352187718
Energy: 0.5765175971531833
Energy: 0.522832235219197
Energy: 0.576517597152758
Energy: 0.5508733650716391
Energy: 0.5387390515356422
Energy: 0.5508733650716391
Energy: 0.5387390515352168
Energy: 0.5508733650716391
Energy: 0.5387390515347916
Energy: 0.6147693280203342
Energy: 0.7441346824672513
Energy: 0.6147693280203342
Energy: 0.7441346824676767
Energy: 0.6147693280203342
Energy: 0.744134682466826
Energy: 0.683816514193408
Energy: 0.6005218936644746
Energy: 0.683816514193408
Energy: 0.6005218936648999
Energy: 0.683816514193408
Energy: 0.6005218936644746
Energy: 0.6366794732821732
Energy: 0.5626515754885401
Energy: 0.6366794732821732
Energy: 0.5626515754885401
Energy: 0.6366794732821732
Energy: 0.5626515754885401
Energy: 0.5422010557203472
Energy: 0.6046032015185154
Energy: 0.5422010557207725
Energy: 0.6046032015193661
Energy: 0.5422010557207725
Energy: 0.6046032015189409
Energy: 0.664654643003183
Energy: 0.8388173564414766
Energy: 0.664654643003183
Energy: 0.8388173564410513
Energy: 0.664654643003183
Energy: 0.8388173564414766
Energy: 0.6045455318885605
Energy: 0.534675224887843
Energy: 0.6045455318881351
Energy: 0.534675224887843
Energy: 0.6045455318881351
Energy: 0.534675224887843
Energy: 0.5299629097129224
Energy: 0.5877365264489407
Energy: 0.5299629097129224
Energy: 0.5877365264489407
Energy: 0.5299629097129224
Energy: 0.5877365264489407
Energy: 0.5218080972430452
Energy: 0.6020039269379949
Energy: 0.5218080972434705
Energy: 0.6020039269379949
Energy: 0.5218080972430452
Energy: 0.6020039269379949
Energy: 0.5773901365459528
Energy: 0.757831052148288
Energy: 0.5773901365459528
Energy: 0.757831052148288
Energy: 0.5773901365455276
Energy: 0.757831052148288
Energy: 0.5383152203762995
Energy: 0.5347799285503931
Energy: 0.5383152203762995
Energy: 0.5347799285512436
Energy: 0.5383152203762995
Energy: 0.5347799285508184
Energy: 0.5397534540997047
Energy: 0.5766377753622388
Energy: 0.5397534540992794
Energy: 0.5766377753622388
Energy: 0.5397534540997047
Energy: 0.5766377753622388
Energy: 0.6357499325623208
Energy: 0.6090470976735571
Energy: 0.6357499325631714
Energy: 0.6090470976739826
Energy: 0.6357499325627461
Energy: 0.6090470976739826
Energy: 0.8154068234549874
Energy: 0.6658631822775204
Energy: 0.8154068234549874
Energy: 0.6658631822770952
Energy: 0.8154068234549874
Energy: 0.6658631822796275
Energy: 0.5388488920617278
Energy: 0.5657563179914067
Energy: 0.5388488920617278
Energy: 0.5657563179914067
Energy: 0.5388488920617278
Energy: 0.5657563179914067
Energy: 0.553113151021268
Energy: 0.5394853022653792
Energy: 0.5531131510216932
Energy: 0.5394853022675056
Energy: 0.553113151021268
Energy: 0.5394853022645286
Energy: 0.5219665439499459
Energy: 0.5997105271269422
Energy: 0.5219665439503712
Energy: 0.5997105271269422
Energy: 0.5219665439499459
Energy: 0.5997105271269422

minimum gb energy = 0.5218080972430452 eV
minimum distance =  2.56808696559566 Angstroms
sigma value = 33


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

Energy: 0.5682532519016579
Energy: 0.5450069125832746
Energy: 0.5682532519016579
Energy: 0.5450069125829762
Energy: 0.5682532519022547
Energy: 0.5450069125817824
Energy: 0.6868591722616822
Energy: 0.5427626883905916
Energy: 0.6868591722616822
Energy: 0.5427626883905916
Energy: 0.6868591722616822
Energy: 0.5427626883905916
Energy: 0.713054532005125
Energy: 0.7786211191975445
Energy: 0.713054532005125
Energy: 0.7786211191975445
Energy: 0.7130545320048266
Energy: 0.7786211191975445
Energy: 0.647049193488538
Energy: 0.5395101251347415
Energy: 0.647049193488538
Energy: 0.5395101251347415
Energy: 0.6470491934888364
Energy: 0.5395101251350399
Energy: 0.5396697668575172
Energy: 0.6730595347633327
Energy: 0.5396697668581142
Energy: 0.6730595347633327
Energy: 0.5396697668584126
Energy: 0.6730595347633327
Energy: 0.6601083033865937
Energy: 0.5427228986967412
Energy: 0.6601083033868922
Energy: 0.5427228986964427
Energy: 0.6601083033865937
Energy: 0.5427228986961442
Energy: 0.6058275777916655
Energy: 0.8726988545579761
Energy: 0.6058275777910686
Energy: 0.8726988545570807
Energy: 0.605827577791367
Energy: 0.8726988545576776
Energy: 0.6240270931338319
Energy: 0.6555601511320396
Energy: 0.6240270931338319
Energy: 0.6555601511320396
Energy: 0.6240270931338319
Energy: 0.6555601511323381
Energy: 0.6755162868452812
Energy: 0.5643499287997774
Energy: 0.6755162868452812
Energy: 0.5643499287997774
Energy: 0.6755162868452812
Energy: 0.564349928800076
Energy: 0.6905586265599711
Energy: 0.5464600932174157
Energy: 0.6905586265599711
Energy: 0.5464600932174157
Energy: 0.6905586265599711
Energy: 0.5464600932171172
Energy: 0.6160259458616929
Energy: 0.6583688965430954
Energy: 0.6160259458607975
Energy: 0.6583688965433938
Energy: 0.6160259458607975
Energy: 0.6583688965430954
Energy: 0.6690620674118959
Energy: 0.5394984367546275
Energy: 0.6690620674121944
Energy: 0.5394984367546275
Energy: 0.6690620674118959
Energy: 0.5394984367546275
Energy: 0.567956742060818
Energy: 0.6749809717822167
Energy: 0.567956742060818
Energy: 0.6749809717822167
Energy: 0.567956742060818
Energy: 0.6749809717822167
Energy: 0.6599547543519527
Energy: 0.604172066859555
Energy: 0.6599547543516542
Energy: 0.6041720668592565
Energy: 0.6599547543516542
Energy: 0.604172066860152
Energy: 0.7674952669355998
Energy: 0.6047298765438974
Energy: 0.7674952669358983
Energy: 0.6047298765453898
Energy: 0.7674952669367937
Energy: 0.6047298765444944
Energy: 0.5418247897930036
Energy: 0.6572842924148269
Energy: 0.5418247897924066
Energy: 0.6572842924145286
Energy: 0.5418247897921082
Energy: 0.6572842924145286
Energy: 0.6712185748026398
Energy: 0.5403184249097361
Energy: 0.6712185748026398
Energy: 0.5403184249097361
Energy: 0.6712185748026398
Energy: 0.5403184249097361
Energy: 0.5409551836423638
Energy: 0.6037916919100087
Energy: 0.5409551836429607
Energy: 0.6037916919103071
Energy: 0.5409551836423638
Energy: 0.6037916919100087
Energy: 0.775940495691077
Energy: 0.6774610897080552
Energy: 0.7759404956913756
Energy: 0.6774610897080552
Energy: 0.775940495691077
Energy: 0.6774610897080552
Energy: 0.6616932569636694
Energy: 0.5647386026112224
Energy: 0.6616932569642663
Energy: 0.5647386026112224
Energy: 0.661693256963371
Energy: 0.5647386026112224
Energy: 0.5457907173450517
Energy: 0.5696960024959151
Energy: 0.5457907173450517
Energy: 0.5696960024959151
Energy: 0.5457907173453501
Energy: 0.5696960024962137
Energy: 0.5417799242467789
Energy: 0.7695469492700663
Energy: 0.5417799242467789
Energy: 0.7695469492700663
Energy: 0.5417799242464805
Energy: 0.7695469492700663
Energy: 0.6581134590657742
Energy: 0.6199781509161415
Energy: 0.6581134590666697
Energy: 0.6199781509161415
Energy: 0.6581134590657742
Energy: 0.6199781509158432
Energy: 0.5392449983136882
Energy: 0.6619744489229439
Energy: 0.5392449983133898
Energy: 0.6619744489223469
Energy: 0.5392449983130914
Energy: 0.6619744489226455
Energy: 0.6795288893494873
Energy: 0.5437663172702368
Energy: 0.6795288893491889
Energy: 0.5437663172711322
Energy: 0.6795288893494873
Energy: 0.543766317272923
Energy: 0.5429490733573419
Energy: 0.6572801436380369
Energy: 0.542949073357939
Energy: 0.6572801436380369
Energy: 0.5429490733573419
Energy: 0.6572801436377385
Energy: 0.7679647117858175
Energy: 0.5976918755937127
Energy: 0.7679647117852205
Energy: 0.5976918755940112
Energy: 0.7679647117858175
Energy: 0.5976918755937127
Energy: 0.5661666760626413
Energy: 0.5419177904849581
Energy: 0.5661666760605519
Energy: 0.5419177904852566
Energy: 0.5661666760626413
Energy: 0.5419177904855551
Energy: 0.56411312668731
Energy: 0.6709150483684296
Energy: 0.56411312668731
Energy: 0.6709150483681311
Energy: 0.5641131266876083
Energy: 0.6709150483687281
Energy: 0.546696721603788
Energy: 0.7765056164770078
Energy: 0.5466967216040866
Energy: 0.7765056164767092
Energy: 0.5466967216031912
Energy: 0.7765056164767092
Energy: 0.60411461780518
Energy: 0.5505417100144406
Energy: 0.604114617805777
Energy: 0.5505417100135451
Energy: 0.60411461780518
Energy: 0.5505417100141421
Energy: 0.5392130722448171
Energy: 0.666129576165062
Energy: 0.5392130722451156
Energy: 0.666129576165062
Energy: 0.5392130722451156
Energy: 0.666129576165062
Energy: 0.656462654731886
Energy: 0.5450541443558052
Energy: 0.6564626547312892
Energy: 0.5450541443564021
Energy: 0.6564626547312892
Energy: 0.5450541443555068
Energy: 0.6084649084627405
Energy: 0.7247675068204442
Energy: 0.6084649084624421
Energy: 0.7247675068204442
Energy: 0.6084649084621435
Energy: 0.7247675068204442
Energy: 0.6084871475286782
Energy: 0.6565328391651196
Energy: 0.6084871475286782
Energy: 0.6565328391657166
Energy: 0.6084871475283797
Energy: 0.6565328391648212
Energy: 0.6651762294991043
Energy: 0.5454641729800843
Energy: 0.6651762294997012
Energy: 0.5454641729797857
Energy: 0.6651762294991043
Energy: 0.5454641729800843
Energy: 0.5392287967227458
Energy: 0.6661895426800643
Energy: 0.5392287967227458
Energy: 0.6661895426800643
Energy: 0.5392287967224473
Energy: 0.6661895426800643
Energy: 0.6035838900438237
Energy: 0.5505756010645313
Energy: 0.6035838900438237
Energy: 0.5505756010660237
Energy: 0.6035838900438237
Energy: 0.5505756010648297
Energy: 0.5465558628382062
Energy: 0.7765692306102722
Energy: 0.5465558628382062
Energy: 0.7765692306102722
Energy: 0.5465558628379077
Energy: 0.7765692306102722
Energy: 0.5640730477337103
Energy: 0.6714422699860956
Energy: 0.5640730477337103
Energy: 0.6714422699860956
Energy: 0.5640730477334119
Energy: 0.671442269986394
Energy: 0.5659346714769092
Energy: 0.5418989102070281
Energy: 0.5659346714712384
Energy: 0.5418989102070281
Energy: 0.5659346714721337
Energy: 0.5418989102067295
Energy: 0.7678002552060653
Energy: 0.5975577513155826
Energy: 0.7678002552060653
Energy: 0.5975577513152842
Energy: 0.7678002552060653
Energy: 0.5975577513155826
Energy: 0.5431435925418256
Energy: 0.6572032830197647
Energy: 0.5431435925412288
Energy: 0.6572032830197647
Energy: 0.5431435925403333
Energy: 0.6572032830200631
Energy: 0.6795292292344158
Energy: 0.543767894672923
Energy: 0.6795292292344158
Energy: 0.5437678946726245
Energy: 0.6795292292344158
Energy: 0.5437678946723261
Energy: 0.5391826415186447
Energy: 0.6632234227329283
Energy: 0.5391826415186447
Energy: 0.6632234227329283
Energy: 0.5391826415186447
Energy: 0.6632234227329283
Energy: 0.6605881620511638
Energy: 0.6198628940466496
Energy: 0.6605881620502683
Energy: 0.6198628940472465
Energy: 0.66058816204997
Energy: 0.6198628940472465
Energy: 0.5417473532151069
Energy: 0.769706239300433
Energy: 0.5417473532151069
Energy: 0.7697062393001345
Energy: 0.5417473532151069
Energy: 0.769706239300433

minimum gb energy = 0.5391826415186447 eV
minimum distance =  2.57453726261416 Angstroms
sigma value = 67


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

Energy: 0.43751353569182655
Energy: 0.41933083889603556
Energy: 0.43751353569203055
Energy: 0.41933083889603556
Energy: 0.43751353569182655
Energy: 0.41933083889644357
Energy: 0.39305395781465013
Energy: 0.378040742129705
Energy: 0.3930539578148541
Energy: 0.3780407421293196
Energy: 0.3930539578148541
Energy: 0.37804074212952365
Energy: 0.7752187339360359
Energy: 0.9506315265086195
Energy: 0.7752187339358321
Energy: 0.9506315265086195
Energy: 0.5019072657271203
Energy: 0.9506315265084381
Energy: 0.39304228492956905
Energy: 0.3781046312803617
Energy: 0.39304228492995447
Energy: 0.3781046312801577
Energy: 0.39304228492995447
Energy: 0.3781046312803617
Energy: 0.43751353569203055
Energy: 0.41933083889644357
Energy: 0.43751353569182655
Energy: 0.4193308388962395
Energy: 0.43751353569182655
Energy: 0.41933083889644357
Energy: 0.39305395781465013
Energy: 0.378040742129705
Energy: 0.3930539578148541
Energy: 0.378040742130113
Energy: 0.39305395781465013
Energy: 0.37804074212952365
Energy: 0.419691552079529
Energy: 0.9506315265088235
Energy: 0.41969155207893966
Energy: 0.9506315265088235
Energy: 0.41969155207912096
Energy: 0.9506315265088235

minimum gb energy = 0.3780407421293196 eV
minimum distance =  2.64662720329367 Angstroms
sigma value = 3


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

Energy: 0.6870900306499326
Energy: 0.4988042065720487
Energy: 0.6870900306499326
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Energy: 0.690663317784095
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Energy: 0.6313010986971971
Energy: 0.6706770483336
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Energy: 0.6313010986974438
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Energy: 0.6149849640779769
Energy: 0.6234565433040917
Energy: 0.6149849640782729
Energy: 0.623456543303845
Energy: 0.6149849640782729
Energy: 0.6234565433043879
Energy: 0.7410122447272796
Energy: 0.5528309594422289
Energy: 0.7410122447207647
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Energy: 0.7410122447272796
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Energy: 0.49368786199402687
Energy: 0.6966405743991829
Energy: 0.49368786199427367
Energy: 0.6966405743991829
Energy: 0.49368786199402687
Energy: 0.6966405743989361
Energy: 0.6381929968134485
Energy: 0.6223425803344909
Energy: 0.6381929968136953
Energy: 0.622342580334787
Energy: 0.6381929968134485
Energy: 0.6223425803344909
Energy: 0.6510709744880606
Energy: 0.5611903113610444
Energy: 0.6510709744880606
Energy: 0.5611903113599586
Energy: 0.6510709744880606
Energy: 0.5611903113613406
Energy: 0.6991658277563889
Energy: 0.5008617632411444
Energy: 0.6991657854820016
Energy: 0.5008617632413912
Energy: 0.6991657804328107
Energy: 0.5008617632408484
Energy: 0.5235022509337678
Energy: 0.6632821365035309
Energy: 0.5235022509337678
Energy: 0.663282136503284
Energy: 0.5235022509337678
Energy: 0.6632821365035309
Energy: 0.6203065242886973
Energy: 0.6111420799554986
Energy: 0.62030652428924
Energy: 0.6111420799554986
Energy: 0.62030652428924
Energy: 0.6111420799554986
Energy: 0.607744456235799
Energy: 0.6114814691818947
Energy: 0.607744456235799
Energy: 0.6114814691818947
Energy: 0.607744456235799
Energy: 0.6114814691818947
Energy: 0.6462690909386867
Energy: 0.5794554074928348
Energy: 0.6462690909384399
Energy: 0.5794554074925385
Energy: 0.6462690909384399
Energy: 0.5794554074925385
Energy: 0.5554705065278452
Energy: 0.6463423497856571
Energy: 0.555470506527549
Energy: 0.6463423497851142
Energy: 0.555470506528092
Energy: 0.6463423497853609

minimum gb energy = 0.49368786199402687 eV
minimum distance =  2.53062817717804 Angstroms
sigma value = 81


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

Energy: 0.6470735444917448
Energy: 0.5858946115719855
Energy: 0.6470735444921174
Energy: 0.5858946115719855
Energy: 0.6470735444917448
Energy: 0.5858946115719855
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Energy: 0.5530581737711886
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Energy: 0.5384870882827151
Energy: 0.5654734686735345
Energy: 0.5384870882823425
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Energy: 0.5384870882830877
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Energy: 0.5961678115049707
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Energy: 0.5961678115045982
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Energy: 0.5372327846500353
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Energy: 0.5372327846496627
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Energy: 0.6804001455238962
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Energy: 0.5604689809064394
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Energy: 0.592246007030748
Energy: 0.6567201972846793
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Energy: 0.5771368375857318
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Energy: 0.5771368375857318
Energy: 0.7064105379275376
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Energy: 0.6665306150547581
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Energy: 0.6169790959321233
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Energy: 0.6169790959321233
Energy: 0.6179591268767988
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Energy: 0.672138107675362
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Energy: 0.672138107675362
Energy: 0.47879849727502716
Energy: 0.672138107675362
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Energy: 0.5241389229335914
Energy: 0.5061320085061911
Energy: 0.5241389229339639
Energy: 0.5061320085061911
Energy: 0.5241389229339639
Energy: 0.5987667204713968
Energy: 0.6053071757496912
Energy: 0.5987667204713968
Energy: 0.6053071757504364
Energy: 0.5987667204713968
Energy: 0.6053071757500639
Energy: 0.5542051980594562
Energy: 0.5371731798224525
Energy: 0.5542051980594562
Energy: 0.5371731798228249
Energy: 0.5542051980594562
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Energy: 0.661888597903752
Energy: 0.5558033224318644
Energy: 0.661888597903752
Energy: 0.5558033224318644
Energy: 0.6618885979033793
Energy: 0.5558033224318644
Energy: 0.5717794173000076
Energy: 0.7153621760849376
Energy: 0.5717794173000076
Energy: 0.7153621760849376
Energy: 0.5717794173000076
Energy: 0.7153621760849376
Energy: 0.624981224419399
Energy: 0.6038389551124475
Energy: 0.6249812244190264
Energy: 0.6038389551124475
Energy: 0.6249812244190264
Energy: 0.6038389551120749
Energy: 0.5603812092688022
Energy: 0.571520542200402
Energy: 0.5603812092684296
Energy: 0.5715205422007748
Energy: 0.5603812092684296
Energy: 0.5715205422007748
Energy: 0.4751239200403012
Energy: 0.5102354696241688
Energy: 0.47512392003992865
Energy: 0.5102354696241688
Energy: 0.47512392003992865
Energy: 0.5102354696241688
Energy: 0.5432746811730246
Energy: 0.7573027180051272
Energy: 0.5432746811730246
Energy: 0.7573027180062448
Energy: 0.5432746811730246
Energy: 0.7573027180051272
Energy: 0.6014390081721624
Energy: 0.5718365061668698
Energy: 0.6014390081725349
Energy: 0.5718365061668698
Energy: 0.6014390081729075
Energy: 0.5718365061668698
Energy: 0.5541104047583707
Energy: 0.6263837455576713
Energy: 0.5541104047587433
Energy: 0.6263837455576713
Energy: 0.5541104047583707
Energy: 0.6263837455576713
Energy: 0.610302777313618
Energy: 0.5435424645857402
Energy: 0.610302777313618
Energy: 0.5435424645857402
Energy: 0.610302777313618
Energy: 0.5435424645857402

minimum gb energy = 0.47512392003992865 eV
minimum distance =  2.55240175305978 Angstroms
sigma value = 43


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

Energy: 0.6166802722785047
Energy: 0.6154938954279763
Energy: 0.6166802722780472
Energy: 0.6154938954279763
Energy: 0.6166802722780472
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Energy: 0.6542192133278176
Energy: 0.5782649238948838
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Energy: 0.6359010694352449
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Energy: 0.6196168319693135
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Energy: 0.6045743666239514
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Energy: 0.5192722518156268
Energy: 0.6785579371181948
Energy: 0.5192722518151691
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Energy: 0.5734415448554856
Energy: 0.5612441461117985
Energy: 0.5734415448554856
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Energy: 0.6303313353698066
Energy: 0.6021669845570599
Energy: 0.6303313353698066
Energy: 0.6021669845570599
Energy: 0.6303313353698066
Energy: 0.6021669845570599
Energy: 0.6194192996205077
Energy: 0.5913782450639934
Energy: 0.6194192996205077
Energy: 0.591378245064451
Energy: 0.6194192996205077
Energy: 0.591378245064451
Energy: 0.7060227512484621
Energy: 0.5507691321501155
Energy: 0.7060227512484621
Energy: 0.5507691321501155
Energy: 0.7060227512484621
Energy: 0.5507691321501155
Energy: 0.6126923603687391
Energy: 0.5543764623359116
Energy: 0.6126923603687391
Energy: 0.5543764623359116
Energy: 0.6126923603687391
Energy: 0.5543764623359116
Energy: 0.6300246032009432
Energy: 0.5774355861177134
Energy: 0.6300246032009432
Energy: 0.5774355861177134
Energy: 0.6300246032009432
Energy: 0.5774355861177134
Energy: 0.6150513533719403
Energy: 0.6354324291488348
Energy: 0.615051353372398
Energy: 0.6354324291488348
Energy: 0.6150513533719403
Energy: 0.6354324291488348
Energy: 0.6948778963466444
Energy: 0.5421028193991608
Energy: 0.6948778963461868
Energy: 0.5421028193991608
Energy: 0.6948778963461868
Energy: 0.5421028193987032
Energy: 0.5345053592087521
Energy: 0.6222568287651684
Energy: 0.5345053592082943
Energy: 0.6222568287651684
Energy: 0.5345053592082943
Energy: 0.6222568287647107
Energy: 0.6040580471279676
Energy: 0.6054154608079435
Energy: 0.6040580471279676
Energy: 0.6054154608079435
Energy: 0.6040580471279676
Energy: 0.6054154608079435
Energy: 0.5823228139918074
Energy: 0.5823055694866007
Energy: 0.5823228139918074
Energy: 0.5823055694861431
Energy: 0.5823228139918074
Energy: 0.5823055694866007
Energy: 0.6669734701494907
Energy: 0.5731214279621984
Energy: 0.6669734701499483
Energy: 0.5731214279617407
Energy: 0.6669734701499483
Energy: 0.5731214279621984
Energy: 0.5687871644780356
Energy: 0.6354246026481283
Energy: 0.5687871644780356
Energy: 0.6354246026476708
Energy: 0.5687871644780356
Energy: 0.6354246026481283
Energy: 0.6213734815941574
Energy: 0.6044236666901223
Energy: 0.6213734815941574
Energy: 0.6044236666901223
Energy: 0.6213734815946149
Energy: 0.6044236666901223
Energy: 0.5821753315811491
Energy: 0.585305288705954
Energy: 0.5821753315806915
Energy: 0.585305288705954
Energy: 0.5821753315806915
Energy: 0.585305288705954
Energy: 0.6651379708024232
Energy: 0.7017974787939971
Energy: 0.6651379708024232
Energy: 0.7017974787939971
Energy: 0.6651379708024232
Energy: 0.7017974787939971
Energy: 0.5699611516996486
Energy: 0.6004737546014812
Energy: 0.5699611516996486
Energy: 0.6004737546014812
Energy: 0.5699611516996486
Energy: 0.6004737546014812

minimum gb energy = 0.5192722518151691 eV
minimum distance =  2.54709726663514 Angstroms
sigma value = 57


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

Energy: 0.6464947341079719
Energy: 0.5633933149574313
Energy: 0.6464947341085644
Energy: 0.5633933149574313
Energy: 0.6464947341073795
Energy: 0.5633933149574313
Energy: 0.5646074862104109
Energy: 0.583891625812444
Energy: 0.5646074862104109
Energy: 0.583891625812444
Energy: 0.5646074862104109
Energy: 0.583891625812444
Energy: 0.5633893655396192
Energy: 0.6815320699739751
Energy: 0.5633893655390266
Energy: 0.6815320699680498
Energy: 0.5633893655396192
Energy: 0.681532070426452
Energy: 0.7366515572235718
Energy: 0.5881742118280615
Energy: 0.7366515572229793
Energy: 0.5881742118280615
Energy: 0.7366515572235718
Energy: 0.5881742118280615
Energy: 0.7294966440601717
Energy: 0.6047981809997781
Energy: 0.7294966440601717
Energy: 0.6047981809997781
Energy: 0.7294966440601717
Energy: 0.6047981809997781
Energy: 0.5742096932419484
Energy: 0.6723131837113266
Energy: 0.5742096932419484
Energy: 0.6723131837113266
Energy: 0.5742096932419484
Energy: 0.6723131837113266
Energy: 0.6423396436794075
Energy: 0.6099904869662397
Energy: 0.6423396436794075
Energy: 0.6099904869662397
Energy: 0.6423396436794075
Energy: 0.6099904869656473
Energy: 0.599240896484942
Energy: 0.5657024543094741
Energy: 0.5992408964855346
Energy: 0.5657024543094741
Energy: 0.5992408964855346
Energy: 0.5657024543094741
Energy: 0.6588487282088562
Energy: 0.576895042102631
Energy: 0.6588487282082636
Energy: 0.576895042102631
Energy: 0.6588487282094486
Energy: 0.576895042102631
Energy: 0.5923054148058876
Energy: 0.6042628999376498
Energy: 0.5923054148058876
Energy: 0.6042628999370572
Energy: 0.5923054148058876
Energy: 0.6042628999370572
Energy: 0.5639680143503354
Energy: 0.6208544415101721
Energy: 0.5639680143503354
Energy: 0.6208544415107646
Energy: 0.5639680143497429
Energy: 0.6208544415101721
Energy: 0.685217924590067
Energy: 0.5970736946624645
Energy: 0.6852179245906596
Energy: 0.5970736946624645
Energy: 0.685217924590067
Energy: 0.5970736946618721
Energy: 0.5881577279160317
Energy: 0.5774693128031257
Energy: 0.5881577279160317
Energy: 0.5774693128025333
Energy: 0.5881577279160317
Energy: 0.5774693128031257
Energy: 0.644880764787321
Energy: 0.5069508215282411
Energy: 0.644880764787321
Energy: 0.5069508215288336
Energy: 0.644880764787321
Energy: 0.5069508215288336
Energy: 0.684133261806228
Energy: 0.5352577981534495
Energy: 0.6841332618068205
Energy: 0.5352577981534495
Energy: 0.6841332618068205
Energy: 0.5352577981540421
Energy: 0.6997662214866953
Energy: 0.5701010131957622
Energy: 0.6997662214878804
Energy: 0.5701010131957622
Energy: 0.6997662214878804
Energy: 0.5701010131957622
Energy: 0.5848178713889567
Energy: 0.6044537938912254
Energy: 0.5848178713895492
Energy: 0.6044537938906328
Energy: 0.5848178713889567
Energy: 0.6044537938900403
Energy: 0.5615348386880302
Energy: 0.5363406101614145
Energy: 0.5615348386886229
Energy: 0.536340610160822
Energy: 0.5615348386892153
Energy: 0.536340610160822
Energy: 0.584585365734453
Energy: 0.6044533565807181
Energy: 0.584585365734453
Energy: 0.6044533565807181
Energy: 0.584585365734453
Energy: 0.6044533565807181
Energy: 0.6935268220335755
Energy: 0.5702257442954426
Energy: 0.6935268220335755
Energy: 0.5702257442954426
Energy: 0.6935268220335755
Energy: 0.5702257442954426
Energy: 0.6841400495284293
Energy: 0.5350829885822024
Energy: 0.6841400495284293
Energy: 0.5350829885827948
Energy: 0.6841400495284293
Energy: 0.5350829885822024
Energy: 0.6536873818887806
Energy: 0.6420157705042487
Energy: 0.6536873818893731
Energy: 0.6420157705042487
Energy: 0.6536873818893731
Energy: 0.6420157705042487
Energy: 0.5881596636917296
Energy: 0.5775548419274621
Energy: 0.5881596636917296
Energy: 0.5775548419274621
Energy: 0.5881596636923221
Energy: 0.5775548419274621
Energy: 0.685214838377867
Energy: 0.5970640968129902
Energy: 0.685214838377867
Energy: 0.5970640968129902
Energy: 0.685214838377867
Energy: 0.5970640968129902

minimum gb energy = 0.5069508215282411 eV
minimum distance =  2.5942151983956 Angstroms
sigma value = 17


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

Energy: 0.6438796777787216
Energy: 0.58068331301772
Energy: 0.6438796777778837
Energy: 0.58068331301772
Energy: 0.6438796777787216
Energy: 0.58068331301772
Energy: 0.5974123790352094
Energy: 0.6294493354174402
Energy: 0.5974123790352094
Energy: 0.6294493354182782
Energy: 0.5974123790352094
Energy: 0.6294493354182782
Energy: 0.5694412547505708
Energy: 0.6289640931665275
Energy: 0.5694412547497328
Energy: 0.6289640931665275
Energy: 0.5694412547505708
Energy: 0.6289640931665275
Energy: 0.6202916895220411
Energy: 0.6307618583391116
Energy: 0.6202916895212222
Energy: 0.6307618583391116
Energy: 0.6202916895220411
Energy: 0.6307618583391116
Energy: 0.6299202817433576
Energy: 0.6230916524616184
Energy: 0.6299202817433576
Energy: 0.6230916524616184
Energy: 0.6299202817433576
Energy: 0.6230916524616184
Energy: 0.6085175843515421
Energy: 0.6623954601593858
Energy: 0.6085175843515421
Energy: 0.6623954601593858
Energy: 0.6085175843515421
Energy: 0.6623954601593858
Energy: 0.6711077025938804
Energy: 0.5732015292386385
Energy: 0.6711077025938804
Energy: 0.5732015292386385
Energy: 0.6711077025938804
Energy: 0.5732015292386385
Energy: 0.6017926788474232
Energy: 0.6274597778928641
Energy: 0.6017926788474232
Energy: 0.6274597778928641
Energy: 0.6017926788465852
Energy: 0.6274597778928641
Energy: 0.5521886961329283
Energy: 0.6002795402157469
Energy: 0.5521886961329283
Energy: 0.6002795402157469
Energy: 0.5521886961329283
Energy: 0.6002795402157469
Energy: 0.6062132678797871
Energy: 0.5972047738564218
Energy: 0.6062132678797871
Energy: 0.5972047738564218
Energy: 0.6062132678797871
Energy: 0.5972047738564218
Energy: 0.6588963733189254
Energy: 0.5713064359339125
Energy: 0.6588963733189254
Energy: 0.5713064359339125
Energy: 0.6588963733189254
Energy: 0.5713064359339125
Energy: 0.6130411171665472
Energy: 0.6145445085303224
Energy: 0.6130411171665472
Energy: 0.6145445085303224
Energy: 0.6130411171665472
Energy: 0.6145445085303224
Energy: 0.5721670930623253
Energy: 0.6169318741586848
Energy: 0.5721670930623253
Energy: 0.6169318741578469
Energy: 0.5721670930623253
Energy: 0.6169318741586848
Energy: 0.6058437254068938
Energy: 0.5659630797530726
Energy: 0.6058437254068938
Energy: 0.5659630797522345
Energy: 0.6058437254068938
Energy: 0.5659630797522345
Energy: 0.6223236621111837
Energy: 0.609121108811795
Energy: 0.6223236621111837
Energy: 0.609121108811795
Energy: 0.6223236621111837
Energy: 0.609121108811795
Energy: 0.5979333087943814
Energy: 0.6646017084427317
Energy: 0.5979333087943814
Energy: 0.6646017084427317
Energy: 0.5979333087943814
Energy: 0.6646017084427317
Energy: 0.6031917585720383
Energy: 0.5677483444616643
Energy: 0.6031917585720383
Energy: 0.5677483444616643
Energy: 0.6031917585720383
Energy: 0.5677483444616643

minimum gb energy = 0.5521886961329283 eV
minimum distance =  2.61716940520589 Angstroms
sigma value = 17


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

Energy: 0.6116518006742162
Energy: 0.5584566889427242
Energy: 0.6116518006742162
Energy: 0.5584566889424005
Energy: 0.6116518006742162
Energy: 0.5584566889424005
Energy: 0.566441315309373
Energy: 0.5918019738118142
Energy: 0.5664413153087259
Energy: 0.5918019738118142
Energy: 0.5664413153090494
Energy: 0.5918019738118142
Energy: 0.5207192067126322
Energy: 0.5819898307586716
Energy: 0.5207192067126322
Energy: 0.5819898307586716
Energy: 0.5207192067123086
Energy: 0.5819898307586716
Energy: 0.5844175094281803
Energy: 0.5366226434125082
Energy: 0.5844175094281803
Energy: 0.5366226434128318
Energy: 0.5844175094281803
Energy: 0.5366226434128318
Energy: 0.6361394516343252
Energy: 0.569080353965093
Energy: 0.6361394516343252
Energy: 0.5690803539644459
Energy: 0.6361394516346487
Energy: 0.5690803539647695
Energy: 0.5215477864089284
Energy: 0.524837088383629
Energy: 0.5215477864086049
Energy: 0.524837088383629
Energy: 0.5215477864089284
Energy: 0.524837088383629
Energy: 0.6625870667188158
Energy: 0.5534869374418472
Energy: 0.6625870667191395
Energy: 0.5534869374418472
Energy: 0.6625870667191395
Energy: 0.5534869374418472
Energy: 0.59889078784366
Energy: 0.5839008688033108
Energy: 0.59889078784366
Energy: 0.5839008688033108
Energy: 0.5988907878439836
Energy: 0.5839008688033108
Energy: 0.5601554684990414
Energy: 0.5968464062058544
Energy: 0.5601554684990414
Energy: 0.596846406206178
Energy: 0.5601554684990414
Energy: 0.596846406206178
Energy: 0.5568568473736378
Energy: 0.47732920581349725
Energy: 0.5568568473749322
Energy: 0.47732920581349725
Energy: 0.5568568473749322
Energy: 0.47732920581349725
Energy: 0.5938596724588909
Energy: 0.5903071660390806
Energy: 0.5938596724585673
Energy: 0.5903071660390806
Energy: 0.5938596724588909
Energy: 0.5903071660390806
Energy: 0.5306898215515781
Energy: 0.5984017708197656
Energy: 0.5306898215512544
Energy: 0.5984017708200893
Energy: 0.5306898215519016
Energy: 0.5984017708200893
Energy: 0.6072320671230949
Energy: 0.5634507447175561
Energy: 0.6072320671230949
Energy: 0.5634507447175561
Energy: 0.6072320671227713
Energy: 0.5634507447175561
Energy: 0.6328374404974252
Energy: 0.5321198013667997
Energy: 0.6328374404974252
Energy: 0.5321198013667997
Energy: 0.6328374404974252
Energy: 0.5321198013671233
Energy: 0.6007438649522039
Energy: 0.5952451561271154
Energy: 0.6007438649525275
Energy: 0.595245156127439
Energy: 0.6007438649522039
Energy: 0.595245156127439
Energy: 0.555009153741372
Energy: 0.5975966494118113
Energy: 0.5550091537407248
Energy: 0.580323289399877
Energy: 0.5550091537410484
Energy: 0.580323289399877
Energy: 0.5143376474089161
Energy: 0.5127786819265142
Energy: 0.5143376474085924
Energy: 0.5127786819268378
Energy: 0.5143376474098867
Energy: 0.5127786819265142
Energy: 0.6122922882123488
Energy: 0.5709640129316095
Energy: 0.6122922882126725
Energy: 0.5709640129316095
Energy: 0.6122922882123488
Energy: 0.5709640129316095
Energy: 0.5628026976492533
Energy: 0.5963450524704623
Energy: 0.5628026976492533
Energy: 0.5963450524704623
Energy: 0.5628026976489297
Energy: 0.5963450524704623
Energy: 0.554953966178489
Energy: 0.5046317210481648
Energy: 0.554953966178489
Energy: 0.5046317210484883
Energy: 0.554953966178489
Energy: 0.5046317210481648
Energy: 0.5631897964601242
Energy: 0.5965147041288611
Energy: 0.5631897964601242
Energy: 0.5965147041291846
Energy: 0.5631897964604479
Energy: 0.5965147041288611
Energy: 0.6124649929716417
Energy: 0.5709623839011417
Energy: 0.6124649929716417
Energy: 0.5709623839014654
Energy: 0.6124649929716417
Energy: 0.5709623839014654
Energy: 0.5139436320530569
Energy: 0.5126380813687326
Energy: 0.5139436320530569
Energy: 0.5126380813690561
Energy: 0.5139436320527334
Energy: 0.5126380813690561
Energy: 0.5549311649389927
Energy: 0.609792419281042
Energy: 0.5549311649389927
Energy: 0.609792419281042
Energy: 0.5549311649389927
Energy: 0.609792419281042
Energy: 0.6007394611249867
Energy: 0.5951215319244691
Energy: 0.6007394611249867
Energy: 0.5951215319244691
Energy: 0.6007394611253102
Energy: 0.5951215319244691
Energy: 0.6328653900832928
Energy: 0.531978340393789
Energy: 0.6328653900829692
Energy: 0.531978340393789
Energy: 0.6328653900832928
Energy: 0.531978340393789
Energy: 0.6072242827167756
Energy: 0.5427331628287874
Energy: 0.6072242827167756
Energy: 0.5427331628284637
Energy: 0.607224282716452
Energy: 0.5427331628284637
Energy: 0.530857371686768
Energy: 0.5982297713388479
Energy: 0.5308573716870916
Energy: 0.5982297713388479
Energy: 0.530857371686768
Energy: 0.5982297713388479
Energy: 0.5938762074450686
Energy: 0.5903369264142793
Energy: 0.5938762074450686
Energy: 0.5903369264139557
Energy: 0.5938762074450686
Energy: 0.5903369264142793
Energy: 0.556565815963788
Energy: 0.533829411129403
Energy: 0.5565658159634643
Energy: 0.5338294111297266
Energy: 0.5565658159634643
Energy: 0.533829411129403
Energy: 0.5601565616481301
Energy: 0.5971768184633051
Energy: 0.5601565616481301
Energy: 0.5971768184633051
Energy: 0.5601565616481301
Energy: 0.5971768184633051
Energy: 0.5989819767207423
Energy: 0.6120758080964045
Energy: 0.5989819767207423
Energy: 0.6120758080964045
Energy: 0.5989819767210658
Energy: 0.6120758080964045
Energy: 0.6627528294463875
Energy: 0.5535092036041184
Energy: 0.662752829446064
Energy: 0.5535092036037949
Energy: 0.662752829446064
Energy: 0.5535092036041184
Energy: 0.521643670558683
Energy: 0.4961901739309674
Energy: 0.521643670558683
Energy: 0.4961901739309674
Energy: 0.521643670558683
Energy: 0.4961901739309674
Energy: 0.6363224133380141
Energy: 0.5691060888420489
Energy: 0.6363224133380141
Energy: 0.5691060888423726
Energy: 0.6363224133380141
Energy: 0.5691060888423726
Energy: 0.5844782681866107
Energy: 0.5283339803550483
Energy: 0.5844782681866107
Energy: 0.5283339803550483
Energy: 0.5844782681866107
Energy: 0.5283339803550483
Energy: 0.5208690014077373
Energy: 0.5819706978476129
Energy: 0.5208690014077373
Energy: 0.5819706978472894
Energy: 0.5208690014074137
Energy: 0.5819706978476129
Energy: 0.5665297796806004
Energy: 0.5614822978200386
Energy: 0.5665297796806004
Energy: 0.5614822978210092
Energy: 0.5665297796806004
Energy: 0.5614822978206857
Energy: 0.6116518006742162
Energy: 0.5584566889424005
Energy: 0.6116518006745398
Energy: 0.5584566889427242
Energy: 0.6116518006742162
Energy: 0.5584566889424005
Energy: 0.5664413153090494
Energy: 0.5854583399545379
Energy: 0.5664413153087259
Energy: 0.5854583399545379
Energy: 0.5664413153090494
Energy: 0.5854583399548615
Energy: 0.5207192067123086
Energy: 0.5819898307589952
Energy: 0.5207192067123086
Energy: 0.5819898307586716
Energy: 0.5207192067123086
Energy: 0.5819898307589952
Energy: 0.5844175094281803
Energy: 0.5314397252996214
Energy: 0.5844175094285039
Energy: 0.5314397252992977
Energy: 0.5844175094285039
Energy: 0.5314397252992977
Energy: 0.6361394516343252
Energy: 0.5690803539660639
Energy: 0.6361394516343252
Energy: 0.569080353965093
Energy: 0.6361394516346487
Energy: 0.5690803539647695

minimum gb energy = 0.47732920581349725 eV
minimum distance =  2.54991199995522 Angstroms
sigma value = 57


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

Energy: 0.5837702322847859
Energy: 0.5423010549241867
Energy: 0.5837702322847859
Energy: 0.542301054923133
Energy: 0.5837702322847859
Energy: 0.5423010549236599
Energy: 0.5237469089085514
Energy: 0.5276093804272276
Energy: 0.5237469089085514
Energy: 0.5276093804272276
Energy: 0.5237469089085514
Energy: 0.5276093804272276
Energy: 0.4992382966562312
Energy: 0.524334106070922
Energy: 0.4992382966562312
Energy: 0.5243341060703951
Energy: 0.4992382966562312
Energy: 0.5243341060703951
Energy: 0.5539887383112609
Energy: 0.49808984945624957
Energy: 0.5539887383112609
Energy: 0.49808984945624957
Energy: 0.5539887383112609
Energy: 0.49808984945624957
Energy: 0.5747399269188731
Energy: 0.5107084314270733
Energy: 0.5747399269188731
Energy: 0.5107084314265464
Energy: 0.5747399269188731
Energy: 0.5107084314260675
Energy: 0.48774231045021554
Energy: 0.470250283073372
Energy: 0.4877423104507424
Energy: 0.470250283073372
Energy: 0.4877423104507424
Energy: 0.470250283073372
Energy: 0.5572647569776489
Energy: 0.5222972097785196
Energy: 0.5572647569776489
Energy: 0.5222972097785196
Energy: 0.5572647569776489
Energy: 0.5222972097790466
Energy: 0.5611666396407865
Energy: 0.5707125556823744
Energy: 0.5611666396407865
Energy: 0.5707125556818475
Energy: 0.5611666396407865
Energy: 0.5707125556823744
Energy: 0.5085395472993481
Energy: 0.5104734645631315
Energy: 0.5085395472993481
Energy: 0.5104734645636584
Energy: 0.5085395472993481
Energy: 0.5104734645631315
Energy: 0.5500407896295313
Energy: 0.46910137932329127
Energy: 0.5500407896295313
Energy: 0.4691013793238181
Energy: 0.5500407896295313
Energy: 0.46910137932329127
Energy: 0.5573419566255198
Energy: 0.560245197506308
Energy: 0.5573419566255198
Energy: 0.560245197506308
Energy: 0.5573419566255198
Energy: 0.560245197506308
Energy: 0.4849835971169963
Energy: 0.564034512189771
Energy: 0.4849835971169963
Energy: 0.5640345121902979
Energy: 0.4849835971169963
Energy: 0.5640345121902979
Energy: 0.5458090176922116
Energy: 0.5073076294038958
Energy: 0.5458090176927384
Energy: 0.5073076294038958
Energy: 0.5458090176922116
Energy: 0.5073076294044228
Energy: 0.569022542411649
Energy: 0.5187632310043977
Energy: 0.569022542411649
Energy: 0.5187632310049245
Energy: 0.569022542411649
Energy: 0.5187632310049245
Energy: 0.5018134862324368
Energy: 0.5759381985909189
Energy: 0.5018134862324368
Energy: 0.5759381985919727
Energy: 0.5018134862324368
Energy: 0.575938198590392
Energy: 0.5602695006479989
Energy: 0.5249934601652453
Energy: 0.5602695006485258
Energy: 0.5249934601652453
Energy: 0.5602695006479989
Energy: 0.5249934601652453
Energy: 0.6104122973554748
Energy: 0.5098590523302472
Energy: 0.6104122973560017
Energy: 0.5098590523302472
Energy: 0.6104122973560017
Energy: 0.5098590523302472
Energy: 0.5722867967673544
Energy: 0.5722487645919512
Energy: 0.5722867967678813
Energy: 0.5722487645919512
Energy: 0.5722867967673544
Energy: 0.5722487645919512
Energy: 0.523593254780994
Energy: 0.5499585031192207
Energy: 0.523593254780994
Energy: 0.5499585031186937
Energy: 0.523593254781521
Energy: 0.5499585031192207
Energy: 0.5357653559336748
Energy: 0.49212755500422073
Energy: 0.5357653559336748
Energy: 0.4921275550047476
Energy: 0.5357653559336748
Energy: 0.4921275550047476
Energy: 0.5715668533235165
Energy: 0.5420628511278666
Energy: 0.5715668533235165
Energy: 0.5420628511278666
Energy: 0.5715668533229896
Energy: 0.5420628511278666
Energy: 0.49975601100329226
Energy: 0.556643429755496
Energy: 0.49975601100329226
Energy: 0.556643429755496
Energy: 0.49975601100329226
Energy: 0.556643429755496
Energy: 0.48263279878737475
Energy: 0.4799606296399542
Energy: 0.4826327987879016
Energy: 0.47996062963942726
Energy: 0.4826327987879016
Energy: 0.4799606296399542
Energy: 0.525483828001201
Energy: 0.6123705161801049
Energy: 0.525483828001201
Energy: 0.6123705161801049
Energy: 0.525483828001201
Energy: 0.6123705161801049
Energy: 0.5671869687153365
Energy: 0.5438202240922999
Energy: 0.5671869687153365
Energy: 0.5438202240922999
Energy: 0.5671869687153365
Energy: 0.5438202240922999
Energy: 0.4775366117354309
Energy: 0.4797146273745404
Energy: 0.4775366117343771
Energy: 0.47971462737506726
Energy: 0.47753661173385026
Energy: 0.47971462737506726
Energy: 0.5017340581146812
Energy: 0.570875917647271
Energy: 0.5017340581141544
Energy: 0.570875917647271
Energy: 0.5017340581141544
Energy: 0.5708759176467441

minimum gb energy = 0.46910137932329127 eV
minimum distance =  2.58137628707016 Angstroms
sigma value = 43


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

Energy: 0.5427483385948275
Energy: 0.42819476329472306
Energy: 0.5427483385952114
Energy: 0.42819476329472306
Energy: 0.5427483385948275
Energy: 0.42819476329472306
Energy: 0.46097290262868984
Energy: 0.4729315301282488
Energy: 0.46097290262907376
Energy: 0.47293153012863265
Energy: 0.46097290262907376
Energy: 0.47293153012863265
Energy: 0.44097791633094374
Energy: 0.47306924665536115
Energy: 0.44097791633094374
Energy: 0.47306924665536115
Energy: 0.44097791633094374
Energy: 0.47306924665536115
Energy: 0.5252142619699947
Energy: 0.4330569276996762
Energy: 0.525214261969611
Energy: 0.43305692769929227
Energy: 0.5252142619699947
Energy: 0.4330569276996762
Energy: 0.4956730033546227
Energy: 0.4657792137089452
Energy: 0.4956730033546227
Energy: 0.4657792137089452
Energy: 0.4956730033546227
Energy: 0.4657792137089452
Energy: 0.4280020651223977
Energy: 0.45582788518110723
Energy: 0.4280020651223977
Energy: 0.45582788518110723
Energy: 0.4280020651223977
Energy: 0.45582788518110723
Energy: 0.5042891010426718
Energy: 0.45130661402563066
Energy: 0.5042891010426718
Energy: 0.4513066140260145
Energy: 0.5042891010426718
Energy: 0.45130661402563066
Energy: 0.5186755461120292
Energy: 0.5047836606430349
Energy: 0.5186755461124132
Energy: 0.5047836606430349
Energy: 0.5186755461124132
Energy: 0.5047836606430349
Energy: 0.4235841192357659
Energy: 0.4544335876396679
Energy: 0.4235841192357659
Energy: 0.4544335876396679
Energy: 0.4235841192357659
Energy: 0.4544335876396679
Energy: 0.47148367748445025
Energy: 0.4463516961199728
Energy: 0.47148367748445025
Energy: 0.44635169612035663
Energy: 0.47148367748483405
Energy: 0.4463516961199728
Energy: 0.5005192953315952
Energy: 0.4862398584899501
Energy: 0.5005192953319791
Energy: 0.4862398584899501
Energy: 0.5005192953319791
Energy: 0.4862398584899501
Energy: 0.44086926624876893
Energy: 0.4732569573636344
Energy: 0.44086926624876893
Energy: 0.4732569573636344
Energy: 0.44086926624876893
Energy: 0.47325695736325046
Energy: 0.4717229613697014
Energy: 0.4380926059321225
Energy: 0.4717229613697014
Energy: 0.4380926059321225
Energy: 0.4717229613697014
Energy: 0.4380926059321225
Energy: 0.4946476893724333
Energy: 0.4953644926863057
Energy: 0.4946476893720494
Energy: 0.49536449268592175
Energy: 0.4946476893720494
Energy: 0.4953644926863057
Energy: 0.44576659718118833
Energy: 0.471895736536135
Energy: 0.44576659718080447
Energy: 0.47189573653575106
Energy: 0.44576659718118833
Energy: 0.47189573653575106
Energy: 0.4840000423881085
Energy: 0.43286074441312955
Energy: 0.4840000423881085
Energy: 0.4328607444135134
Energy: 0.4840000423877246
Energy: 0.4328607444135134
Energy: 0.5072224153655321
Energy: 0.4942356510769157
Energy: 0.5072224153655321
Energy: 0.4942356510765318
Energy: 0.5072224153655321
Energy: 0.4942356510765318
Energy: 0.4280498843257698
Energy: 0.523064804080514
Energy: 0.4280498843257698
Energy: 0.523064804080514
Energy: 0.4280498843257698
Energy: 0.5230648040808978
Energy: 0.45700328609081053
Energy: 0.4479973162350374
Energy: 0.4570032860911944
Energy: 0.4479973162350374
Energy: 0.45700328609081053
Energy: 0.4479973162346536
Energy: 0.48033543915645255
Energy: 0.49671843858310616
Energy: 0.48033543915645255
Energy: 0.49671843858310616
Energy: 0.48033543915645255
Energy: 0.49671843858310616
Energy: 0.4401716378527502
Energy: 0.5430401573628412
Energy: 0.4401716378527502
Energy: 0.5430401573628412
Energy: 0.4401716378527502
Energy: 0.5430401573628412
Energy: 0.48585259740703196
Energy: 0.46164197408932245
Energy: 0.48585259740703196
Energy: 0.46164197408932245
Energy: 0.4858525974074158
Energy: 0.46164197408932245
Energy: 0.47471448534969785
Energy: 0.44846633408685443
Energy: 0.47471448534931393
Energy: 0.44846633408647046
Energy: 0.47471448534931393
Energy: 0.44846633408685443
Energy: 0.5110697384463554
Energy: 0.5332938923822601
Energy: 0.5110697384463554
Energy: 0.5332938923822601
Energy: 0.5110697384463554
Energy: 0.533293892382644
Energy: 0.4613941788842423
Energy: 0.45147369267223897
Energy: 0.4613941788846262
Energy: 0.45147369267185505
Energy: 0.4613941788842423
Energy: 0.45147369267223897
Energy: 0.5006729735304105
Energy: 0.4347938070704062
Energy: 0.5006729735304105
Energy: 0.4347938070704062
Energy: 0.5006729735304105
Energy: 0.4347938070704062
Energy: 0.4290396494099161
Energy: 0.5090260185012809
Energy: 0.4290396494095323
Energy: 0.5090260185012809
Energy: 0.4290396494095323
Energy: 0.5090260185016648
Energy: 0.45291866697654226
Energy: 0.5041033831103274
Energy: 0.45291866697654226
Energy: 0.5041033831103274
Energy: 0.4529186669769262
Energy: 0.5041033831107113
Energy: 0.4921977765479239
Energy: 0.4180261729903188
Energy: 0.4921977765479239
Energy: 0.4180261729903188
Energy: 0.4921977765479239
Energy: 0.4180261729903188
Energy: 0.44086442758475725
Energy: 0.4892730884709985
Energy: 0.44086442758475725
Energy: 0.4892730884709985
Energy: 0.44086442758475725
Energy: 0.4892730884709985
Energy: 0.4551706212892063
Energy: 0.5148461317849987
Energy: 0.4551706212892063
Energy: 0.5148461317849987
Energy: 0.4551706212892063
Energy: 0.5148461317849987
Energy: 0.49286830814416244
Energy: 0.4139728039804502
Energy: 0.49286830814416244
Energy: 0.4139728039804502
Energy: 0.4928683081437786
Energy: 0.4139728039804502
Energy: 0.40635954483866293
Energy: 0.5388150450358756
Energy: 0.4063595448390469
Energy: 0.5388150450354916
Energy: 0.4063595448390469
Energy: 0.5388150450354916
Energy: 0.4861287211067451
Energy: 0.4961147682209933
Energy: 0.4861287211063612
Energy: 0.4961147682209933
Energy: 0.4861287211063612
Energy: 0.4961147682213771
Energy: 0.4603297396874243
Energy: 0.43436989215543514
Energy: 0.4603297396874243
Energy: 0.43436989215543514
Energy: 0.4603297396874243
Energy: 0.43436989215543514
Energy: 0.4271712607418049
Energy: 0.4631313885364157
Energy: 0.4271712607414209
Energy: 0.4631313885364157
Energy: 0.4271712607414209
Energy: 0.4631313885364157

minimum gb energy = 0.40635954483866293 eV
minimum distance =  2.57428771516651 Angstroms
sigma value = 81


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

Energy: 0.10429088684497316
Energy: 0.1305016596703957
Energy: 0.10429088684497316
Energy: 0.1305016596703957
Energy: 0.10429088684497316
Energy: 0.1305016596703957
Energy: 0.26896117654630347
Energy: 0.19481570641569013
Energy: 0.2689611765461592
Energy: 0.19481570641569013
Energy: 0.2689611765465759
Energy: 0.1948157064158344
Energy: 0.2688815359671296
Energy: 0.1944462923564245
Energy: 0.2688815359667128
Energy: 0.1944462923564245
Energy: 0.2688815359670014
Energy: 0.1944462923564245
Energy: 0.10429088684497316
Energy: 0.13050165967025143
Energy: 0.10429088684497316
Energy: 0.1305016596703957
Energy: 0.10429088684497316
Energy: 0.13050165967025143
Energy: 0.26896117654630347
Energy: 0.19481570641597862
Energy: 0.26896117654630347
Energy: 0.19481570641597862
Energy: 0.2689611765464317
Energy: 0.1948157064158344
Energy: 0.2688815359668571
Energy: 0.1944462923564245
Energy: 0.2688815359668571
Energy: 0.1944462923564245
Energy: 0.2688815359667128
Energy: 0.19444629235656874
Energy: 0.10429088684497316
Energy: 0.13050165967025143
Energy: 0.10429088684497316
Energy: 0.13050165967025143
Energy: 0.10429088684497316
Energy: 0.1305016596703957
Energy: 0.2689611765465759
Energy: 0.19481570641597862
Energy: 0.2689611765465759
Energy: 0.19481570641597862
Energy: 0.2689611765461592
Energy: 0.19481570641597862
Energy: 0.2688815359671296
Energy: 0.19444629235656874
Energy: 0.2688815359672738
Energy: 0.1944462923564245
Energy: 0.2688815359672738
Energy: 0.1944462923564245
Energy: 0.10429088684497316
Energy: 0.1305016596703957
Energy: 0.10429088684497316
Energy: 0.1305016596703957
Energy: 0.10429088684497316
Energy: 0.13050165967025143

minimum gb energy = 0.10429088684497316 eV
minimum distance =  2.83767856273297 Angstroms
sigma value = 3


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

Energy: 0.48213426211641053
Energy: 0.4891521618118859
Energy: 0.4821342621159884
Energy: 0.4891521618118859
Energy: 0.48213426211641053
Energy: 0.4891521618118859
Energy: 0.4680807871762386
Energy: 0.4535869846680013
Energy: 0.4680807871762386
Energy: 0.4535869846684234
Energy: 0.4680807871762386
Energy: 0.4535869846684234
Energy: 0.48621767680445643
Energy: 0.4591560602426137
Energy: 0.47632045343367463
Energy: 0.4591560602421916
Energy: 0.47632045343367463
Energy: 0.4591560602421916
Energy: 0.4742330621357945
Energy: 0.4423860689877691
Energy: 0.4742330621362166
Energy: 0.4423860689877691
Energy: 0.4742330621357945
Energy: 0.4423860689877691
Energy: 0.39888509208573764
Energy: 0.48896060584720474
Energy: 0.39888509208573764
Energy: 0.4889606058476268
Energy: 0.39888509208531553
Energy: 0.48896060584720474
Energy: 0.4967614950751887
Energy: 0.4490538595314064
Energy: 0.4967614950751887
Energy: 0.4490538595314064
Energy: 0.4967614950751887
Energy: 0.4490538595314064
Energy: 0.45869005080937375
Energy: 0.44664409738355365
Energy: 0.45869005080937375
Energy: 0.44664409738355365
Energy: 0.45869005080937375
Energy: 0.4466440973839758
Energy: 0.3970873274413905
Energy: 0.47118369567137364
Energy: 0.3970873274418126
Energy: 0.4711836956717957
Energy: 0.3970873274418126
Energy: 0.4711836956717957
Energy: 0.4657424116420885
Energy: 0.4625044058787525
Energy: 0.4657424116420885
Energy: 0.4625044058787525
Energy: 0.4657424116425107
Energy: 0.4625044058787525
Energy: 0.4885946204603261
Energy: 0.4272031847523799
Energy: 0.4885946204603261
Energy: 0.4272031847523799
Energy: 0.4885946204603261
Energy: 0.4272031847523799
Energy: 0.40600401768030137
Energy: 0.4702977144908701
Energy: 0.40600401767987937
Energy: 0.47029771449129226
Energy: 0.40600401768030137
Energy: 0.47029771449129226
Energy: 0.46136095521235027
Energy: 0.47879518852174835
Energy: 0.46136095521192816
Energy: 0.47879518852174835
Energy: 0.46136095521235027
Energy: 0.47879518852174835
Energy: 0.4779552870308511
Energy: 0.3961742272408311
Energy: 0.4779552870308511
Energy: 0.3961742272408311
Energy: 0.4779552870308511
Energy: 0.3961742272408311
Energy: 0.40946762930303127
Energy: 0.45735600056525433
Energy: 0.40946762930303127
Energy: 0.45735600056525433
Energy: 0.40946762930303127
Energy: 0.4573560005648322
Energy: 0.4465764981093987
Energy: 0.47725286229103325
Energy: 0.4465764981093987
Energy: 0.47725286229103325
Energy: 0.4465764981093987
Energy: 0.47725286229103325
Energy: 0.4977499104213632
Energy: 0.4462211053435957
Energy: 0.4977499104213632
Energy: 0.4462211053435957
Energy: 0.4977499104213632
Energy: 0.4462211053435957
Energy: 0.4586657570007339
Energy: 0.4807219887062946
Energy: 0.4586657570007339
Energy: 0.4807219887062946
Energy: 0.458665757001156
Energy: 0.4807219887062946
Energy: 0.4546634973579287
Energy: 0.4649037213737266
Energy: 0.4546634973579287
Energy: 0.46490372137414876
Energy: 0.4546634973579287
Energy: 0.46490372137414876
Energy: 0.44706285716589056
Energy: 0.4515671137089882
Energy: 0.44706285716589056
Energy: 0.4515671137089882
Energy: 0.44706285716631256
Energy: 0.4515671137089882
Energy: 0.4686710793620926
Energy: 0.487859766254011
Energy: 0.4686710793620926
Energy: 0.487859766254011
Energy: 0.4686710793620926
Energy: 0.487859766254011
Energy: 0.47269073938831746
Energy: 0.4474374352984388
Energy: 0.47269073938831746
Energy: 0.4474374352984388
Energy: 0.47269073938831746
Energy: 0.4474374352984388
Energy: 0.4675458104534986
Energy: 0.45042917774757074
Energy: 0.4675458104539208
Energy: 0.45042917774757074
Energy: 0.4675458104534986
Energy: 0.45042917774757074
Energy: 0.4455333588631936
Energy: 0.48631779727669955
Energy: 0.4455333588631936
Energy: 0.48631779727669955
Energy: 0.4455333588631936
Energy: 0.48631779727669955
Energy: 0.45287371345993355
Energy: 0.42831277843189536
Energy: 0.45287371345993355
Energy: 0.42831277843189536
Energy: 0.45287371345951144
Energy: 0.4283127784314732
Energy: 0.47313612042351977
Energy: 0.48040748405867484
Energy: 0.47313612042309766
Energy: 0.4804074840590969
Energy: 0.47313612042351977
Energy: 0.48040748405867484
Energy: 0.4213333629077286
Energy: 0.4649281348773843
Energy: 0.4213333629081507
Energy: 0.4649281348773843
Energy: 0.4213333629077286
Energy: 0.4649281348773843
Energy: 0.5062304309585856
Energy: 0.4262008523251365
Energy: 0.5062304309585856
Energy: 0.4262008523251365
Energy: 0.5062304309585856
Energy: 0.4262008523251365
Energy: 0.4590729737719122
Energy: 0.4626057505120229
Energy: 0.4590729737719122
Energy: 0.4626057505116008
Energy: 0.4590729737719122
Energy: 0.4626057505120229
Energy: 0.404704069773398
Energy: 0.4999604464496972
Energy: 0.404704069773398
Energy: 0.49996044644927506
Energy: 0.404704069773398
Energy: 0.49996044644927506
Energy: 0.5105316727057023
Energy: 0.43556084463347355
Energy: 0.5105316727057023
Energy: 0.43556084463347355
Energy: 0.5105316727057023
Energy: 0.43556084463347355
Energy: 0.48147710378953035
Energy: 0.46329592316618295
Energy: 0.4814771037899524
Energy: 0.46329592316618295
Energy: 0.4814771037899524
Energy: 0.46329592316618295
Energy: 0.4379128451743301
Energy: 0.45065434338193494
Energy: 0.437912845173908
Energy: 0.45065434338193494
Energy: 0.437912845173908
Energy: 0.45065434338193494
Energy: 0.4507535693968396
Energy: 0.44069456256512535
Energy: 0.4507535693968396
Energy: 0.44069456256512535
Energy: 0.4507535693968396
Energy: 0.44069456256512535

minimum gb energy = 0.3961742272408311 eV
minimum distance =  2.60570235104971 Angstroms
sigma value = 67


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

Energy: 0.5573858280525975
Energy: 0.5302746194235559
Energy: 0.5573858280525975
Energy: 0.5302746194235559
Energy: 0.5573858280519961
Energy: 0.5302746194235559
Energy: 0.5046724596163024
Energy: 0.5185243674254356
Energy: 0.5046724596163024
Energy: 0.5185243674254356
Energy: 0.5046724596163024
Energy: 0.5185243674254356
Energy: 0.5544661935540568
Energy: 0.5102244689049342
Energy: 0.5544661935534553
Energy: 0.5102244689049342
Energy: 0.5544661935534553
Energy: 0.5102244689049342
Energy: 0.5239640433259799
Energy: 0.48981565662143023
Energy: 0.5239640433259799
Energy: 0.48981565662143023
Energy: 0.5239640433253784
Energy: 0.48981565662143023
Energy: 0.5135560822717912
Energy: 0.5306807028524851
Energy: 0.5135560822717912
Energy: 0.5306807028524851
Energy: 0.5135560822717912
Energy: 0.5306807028524851
Energy: 0.5345523957838972
Energy: 0.5188232383151461
Energy: 0.5345523957838972
Energy: 0.518823238314572
Energy: 0.5345523957838972
Energy: 0.518823238314572
Energy: 0.5702735835633082
Energy: 0.4798551245432984
Energy: 0.5702735835633082
Energy: 0.4798551245432984
Energy: 0.5702735835633082
Energy: 0.4798551245432984
Energy: 0.5054102891288178
Energy: 0.5532643695943537
Energy: 0.5054102891288178
Energy: 0.5532643695943537
Energy: 0.5054102891288178
Energy: 0.5532643695943537
Energy: 0.5339834655244533
Energy: 0.545417251306988
Energy: 0.5339834655244533
Energy: 0.545417251306988
Energy: 0.5339834655244533
Energy: 0.545417251306988
Energy: 0.5470907528207816
Energy: 0.5213077839858836
Energy: 0.54709075282018
Energy: 0.5213077839858836
Energy: 0.54709075282018
Energy: 0.5213077839858836
Energy: 0.5087140131162347
Energy: 0.5480387365284289
Energy: 0.5087140131162347
Energy: 0.5480387365284289
Energy: 0.5087140131162347
Energy: 0.5480387365284289
Energy: 0.5030668038617307
Energy: 0.5719575282070315
Energy: 0.5030668038617307
Energy: 0.5719575282070315
Energy: 0.5030668038617307
Energy: 0.5719575282070315
Energy: 0.4984890670714662
Energy: 0.5173243513839014
Energy: 0.4984890670714662
Energy: 0.5173243513839014
Energy: 0.4984890670714662
Energy: 0.5173243513839014
Energy: 0.5298327665899546
Energy: 0.5503492304536842
Energy: 0.5298327665899546
Energy: 0.5503492304536842
Energy: 0.5298327665899546
Energy: 0.5503492304536842
Energy: 0.5128730236077741
Energy: 0.523733273854317
Energy: 0.5128730236077741
Energy: 0.5237332738549184
Energy: 0.5128730236077741
Energy: 0.5237332738549184
Energy: 0.5216603565316926
Energy: 0.5161696869302849
Energy: 0.521660356532294
Energy: 0.5161696869302849
Energy: 0.521660356532294
Energy: 0.5161696869302849
Energy: 0.4982160684955063
Energy: 0.5282521095002253
Energy: 0.4982160684955063
Energy: 0.5282521094996239
Energy: 0.4982160684955063
Energy: 0.5282521094996239
Energy: 0.5556622181377554
Energy: 0.4856905762129365
Energy: 0.555662218137154
Energy: 0.485690576212335
Energy: 0.5556622181377554
Energy: 0.485690576212335
Energy: 0.5623196734225987
Energy: 0.5354512442426961
Energy: 0.5623196734232
Energy: 0.5354512442426961
Energy: 0.5623196734225987
Energy: 0.5354512442426961
Energy: 0.5247493458861685
Energy: 0.5646660553565448
Energy: 0.5247493458861685
Energy: 0.5646660553565448
Energy: 0.5247493458861685
Energy: 0.5646660553565448
Energy: 0.5343800531336574
Energy: 0.5051444297972002
Energy: 0.5343800531336574
Energy: 0.5051444297972002
Energy: 0.5343800531336574
Energy: 0.5051444297972002
Energy: 0.5270666245538932
Energy: 0.5526536122552222
Energy: 0.5270666245538932
Energy: 0.5526536122552222
Energy: 0.5270666245538932
Energy: 0.5526536122552222
Energy: 0.4838038572260465
Energy: 0.5159564463004317
Energy: 0.48380385722544506
Energy: 0.5159564463004317
Energy: 0.48380385722544506
Energy: 0.5159564463004317

minimum gb energy = 0.4798551245432984 eV
minimum distance =  2.65751817642131 Angstroms
sigma value = 33


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

Energy: 0.5972264996295693
Energy: 0.5429243439284198
Energy: 0.5972264996295693
Energy: 0.5429243439288014
Energy: 0.5972264996299509
Energy: 0.5429243439284198
Energy: 0.5358149534498919
Energy: 0.5704418911883434
Energy: 0.5358149534498919
Energy: 0.5704418911883434
Energy: 0.5358149534498919
Energy: 0.5704418911883434
Energy: 0.5938218061049028
Energy: 0.5534368853898175
Energy: 0.5938218061049028
Energy: 0.5534368853898175
Energy: 0.5938218061049028
Energy: 0.5534368853901991
Energy: 0.5470680156803751
Energy: 0.5293279754341469
Energy: 0.5470680156803751
Energy: 0.5293279754337653
Energy: 0.5470680156803751
Energy: 0.5293279754337653
Energy: 0.53046217891113
Energy: 0.5505153151315731
Energy: 0.53046217891113
Energy: 0.5505153151315731
Energy: 0.53046217891113
Energy: 0.5505153151319546
Energy: 0.5903004791392193
Energy: 0.5693738731287984
Energy: 0.5903004791392193
Energy: 0.5736070864368646
Energy: 0.5903004791392193
Energy: 0.5736070864372462
Energy: 0.5782521097143499
Energy: 0.5919739504028487
Energy: 0.5782521097143499
Energy: 0.5919739504028487
Energy: 0.5782521097139683
Energy: 0.5919739504028487
Energy: 0.5450285886690813
Energy: 0.5586356620360081
Energy: 0.5450285886690813
Energy: 0.5586356620363897
Energy: 0.5450285886690813
Energy: 0.5586356620360081
Energy: 0.5394792245763118
Energy: 0.6229926575625302
Energy: 0.5394792245763118
Energy: 0.6229926575621488
Energy: 0.5394792245763118
Energy: 0.6229926575625302
Energy: 0.6011462339347463
Energy: 0.5997133847099693
Energy: 0.6011462339347463
Energy: 0.5759986573380543
Energy: 0.6011462339347463
Energy: 0.5759986573376727
Energy: 0.5653910316973916
Energy: 0.5700890578055432
Energy: 0.5653910316973916
Energy: 0.5700890578055432
Energy: 0.5653910316973916
Energy: 0.5700890578055432
Energy: 0.5315038628555586
Energy: 0.5420734908455213
Energy: 0.5315038628555586
Energy: 0.5420734908455213
Energy: 0.5315038628559402
Energy: 0.5420734908451397
Energy: 0.6105802792347608
Energy: 0.5387587429968278
Energy: 0.6105802792332345
Energy: 0.5387587429968278
Energy: 0.6105802792339976
Energy: 0.5387587429968278
Energy: 0.5417412423036911
Energy: 0.5751092805674364
Energy: 0.5417412423036911
Energy: 0.5751092805674364
Energy: 0.5417412423036911
Energy: 0.5751092805674364
Energy: 0.5725273050861034
Energy: 0.5613374618954243
Energy: 0.5725273050857218
Energy: 0.5613374618954243
Energy: 0.5725273050861034
Energy: 0.5613374618954243
Energy: 0.5529576968070187
Energy: 0.5625734215390916
Energy: 0.5529576968074004
Energy: 0.5625734215394732
Energy: 0.5529576968070187
Energy: 0.5625734215390916
Energy: 0.5776010548972871
Energy: 0.5871129515608713
Energy: 0.5776010548969055
Energy: 0.5871129515608713
Energy: 0.5776010548972871
Energy: 0.5871129515608713
Energy: 0.6289323156899042
Energy: 0.5776142413110644
Energy: 0.6289323156902857
Energy: 0.5776142413110644
Energy: 0.6289323156899042
Energy: 0.5776142413110644
Energy: 0.5502241121371775
Energy: 0.5952027906381564
Energy: 0.5502241121371775
Energy: 0.5952027906381564
Energy: 0.5502241121371775
Energy: 0.5952027906381564
Energy: 0.5932150876505173
Energy: 0.5942772462169434
Energy: 0.5932150876505173
Energy: 0.5942772462169434
Energy: 0.5932150876508989
Energy: 0.594277246217325
Energy: 0.5763065628202347
Energy: 0.5673780688121475
Energy: 0.5763065628202347
Energy: 0.5673780688121475
Energy: 0.5763065628202347
Energy: 0.5673780688121475
Energy: 0.587589376527623
Energy: 0.5422495122252877
Energy: 0.587589376527623
Energy: 0.5422495122252877
Energy: 0.587589376527623
Energy: 0.5422495122252877
Energy: 0.5349070043354291
Energy: 0.5700935610549117
Energy: 0.5349070043354291
Energy: 0.5700935610549117
Energy: 0.5349070043354291
Energy: 0.5700935610549117
Energy: 0.5755615706508664
Energy: 0.5441580246259206
Energy: 0.575561570650485
Energy: 0.5441580246255391
Energy: 0.5755615706508664
Energy: 0.5441580246259206
Energy: 0.5335017599293121
Energy: 0.5450991123540769
Energy: 0.5335017599293121
Energy: 0.5450991123540769
Energy: 0.5335017599293121
Energy: 0.5450991123540769
Energy: 0.5471737847130589
Energy: 0.5559918811200038
Energy: 0.5471737847130589
Energy: 0.5559918811200038
Energy: 0.5471737847130589
Energy: 0.5559918811200038
Energy: 0.5778695307693097
Energy: 0.5444157349888193
Energy: 0.5778695307693097
Energy: 0.5444157349888193
Energy: 0.5778695307693097
Energy: 0.5444157349888193
Energy: 0.5673078866986017
Energy: 0.5973954282502406
Energy: 0.5673078866986017
Energy: 0.5973954282502406
Energy: 0.5673078866986017
Energy: 0.5973954282502406
Energy: 0.5442308058099784
Energy: 0.5935651242103807
Energy: 0.5442308058099784
Energy: 0.5935651242103807
Energy: 0.5442308058099784
Energy: 0.5935651242103807
Energy: 0.5461827472327281
Energy: 0.5218479545695736
Energy: 0.5461827472327281
Energy: 0.5218479545695736
Energy: 0.5461827472327281
Energy: 0.5218479545695736
Energy: 0.6095708678935244
Energy: 0.5785685076532375
Energy: 0.6095708678935244
Energy: 0.578568507652856
Energy: 0.609570867893906
Energy: 0.578568507652856
Energy: 0.5707921184003419
Energy: 0.5873057871144245
Energy: 0.5707921184003419
Energy: 0.5873057871144245
Energy: 0.5707921184003419
Energy: 0.5873057871144245
Energy: 0.5781754428537711
Energy: 0.5614857905752856
Energy: 0.5781754428537711
Energy: 0.5614857905752856
Energy: 0.5781754428537711
Energy: 0.5614857905752856
Energy: 0.5830970767699793
Energy: 0.5408689352066147
Energy: 0.5830970767703609
Energy: 0.5408689352069962
Energy: 0.5830970767703609
Energy: 0.5408689352069962
Energy: 0.5628654288900842
Energy: 0.5480387875972312
Energy: 0.5628654288900842
Energy: 0.5480387875972312
Energy: 0.5628654288900842
Energy: 0.5480387875972312
Energy: 0.5902904035940655
Energy: 0.531689686648902
Energy: 0.5902904035936839
Energy: 0.531689686648902
Energy: 0.5902904035933024
Energy: 0.531689686648902
Energy: 0.5416785788709022
Energy: 0.5595586361707635
Energy: 0.5416785788705206
Energy: 0.5595586361707635
Energy: 0.5416785788705206
Energy: 0.5595586361707635

minimum gb energy = 0.5218479545695736 eV
minimum distance =  2.5697211218325 Angstroms
sigma value = 41


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

Energy: 0.6185232938457609
Energy: 0.5863550996585626
Energy: 0.6185232938457609
Energy: 0.5863550996585626
Energy: 0.6185232938457609
Energy: 0.5863550996585626
Energy: 0.5752342904648763
Energy: 0.599729534163349
Energy: 0.5752342904648763
Energy: 0.599729534163349
Energy: 0.5752342904648763
Energy: 0.599729534163349
Energy: 0.66330787646494
Energy: 0.5941234735682633
Energy: 0.6259371273664024
Energy: 0.5941234735672216
Energy: 0.6259371273664024
Energy: 0.5941234735672216
Energy: 0.647520625874166
Energy: 0.665233754440729
Energy: 0.647520625874166
Energy: 0.6652337544417707
Energy: 0.647520625874166
Energy: 0.6652337544417707
Energy: 0.5760572169095987
Energy: 0.6534809307250592
Energy: 0.5760572169095987
Energy: 0.6534809307250592
Energy: 0.5760572169095987
Energy: 0.6534809307261009
Energy: 0.640243577651579
Energy: 0.6441023605621045
Energy: 0.640243577651579
Energy: 0.6441023605621045
Energy: 0.640243577651579
Energy: 0.6441023605621045
Energy: 0.6869977610177582
Energy: 0.6149472164437592
Energy: 0.6869977610177582
Energy: 0.6149472164437592
Energy: 0.6869977610177582
Energy: 0.6149472164437592
Energy: 0.5982862294625256
Energy: 0.6045552876916278
Energy: 0.5982862294625256
Energy: 0.6045552876916278
Energy: 0.5982862294635675
Energy: 0.6045552876916278
Energy: 0.5925178357091103
Energy: 0.5851876996427662
Energy: 0.5925178357091103
Energy: 0.585187699643808
Energy: 0.5925178357080685
Energy: 0.585187699643808
Energy: 0.6065151955276271
Energy: 0.5786632519575321
Energy: 0.6065151955286687
Energy: 0.5786632519585737
Energy: 0.6065151955286687
Energy: 0.5786632519575321
Energy: 0.6472283508016813
Energy: 0.6066815205330541
Energy: 0.6472283508016813
Energy: 0.6066815205330541
Energy: 0.6472283508016813
Energy: 0.6066815205330541
Energy: 0.6104182567729177
Energy: 0.5766064263401633
Energy: 0.6104182567729177
Energy: 0.5766064263401633
Energy: 0.6104182567729177
Energy: 0.5766064263401633
Energy: 0.6318196468396562
Energy: 0.5876817341687575
Energy: 0.6318196468396562
Energy: 0.5876817341687575
Energy: 0.6318196468396562
Energy: 0.5876817341687575
Energy: 0.643664367316451
Energy: 0.6452369218042359
Energy: 0.643664367316451
Energy: 0.6452369218042359
Energy: 0.643664367316451
Energy: 0.6452369218042359

minimum gb energy = 0.5752342904648763 eV
minimum distance =  2.53424646615102 Angstroms
sigma value = 11


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

Energy: 0.6120429589441312
Energy: 0.6600239492592911
Energy: 0.6120429589441312
Energy: 0.6600239492592911
Energy: 0.6120429589441312
Energy: 0.6600239492592911
Energy: 0.5763410597823652
Energy: 0.6157540005816207
Energy: 0.5763410597823652
Energy: 0.6157540005816207
Energy: 0.5763410597819076
Energy: 0.6157540005816207
Energy: 0.6434073258373572
Energy: 0.5869155354998482
Energy: 0.6434073258368995
Energy: 0.5869155354998482
Energy: 0.6434073258368995
Energy: 0.5869155354998482
Energy: 0.61827450671188
Energy: 0.6039136637943006
Energy: 0.61827450671188
Energy: 0.6039136637943006
Energy: 0.61827450671188
Energy: 0.6039136637943006
Energy: 0.624878775776483
Energy: 0.5991739464595933
Energy: 0.624878775776483
Energy: 0.5991739464595933
Energy: 0.624878775776483
Energy: 0.5991739464595933
Energy: 0.6159092541617874
Energy: 0.6335901243993691
Energy: 0.6159092541617874
Energy: 0.6335901243993691
Energy: 0.6159092541617874
Energy: 0.6335901243993691
Energy: 0.6009058501697688
Energy: 0.5871328646925614
Energy: 0.6009058501702264
Energy: 0.5871328646925614
Energy: 0.6009058501702264
Energy: 0.5871328646925614
Energy: 0.6016748958458347
Energy: 0.5905698192412685
Energy: 0.6016748958458347
Energy: 0.5905698192412685
Energy: 0.6016748958458347
Energy: 0.5905698192417261
Energy: 0.5978578444160026
Energy: 0.5937543557899579
Energy: 0.5978578444160026
Energy: 0.5937543557899579
Energy: 0.5978578444160026
Energy: 0.5937543557899579
Energy: 0.5931598509197405
Energy: 0.6168115853384508
Energy: 0.5931598509197405
Energy: 0.6168115853384508
Energy: 0.5931598509197405
Energy: 0.6168115853384508
Energy: 0.6223978121646903
Energy: 0.6315272052748201
Energy: 0.6223978121646903
Energy: 0.6315272052748201
Energy: 0.6223978121646903
Energy: 0.6315272052748201
Energy: 0.6013534980068574
Energy: 0.6479841030142989
Energy: 0.6013534980068574
Energy: 0.6479841030142989
Energy: 0.6013534980068574
Energy: 0.6479841030142989
Energy: 0.5998856484947694
Energy: 0.6535767447774877
Energy: 0.5998856484947694
Energy: 0.6535767447774877
Energy: 0.5998856484947694
Energy: 0.6535767447774877
Energy: 0.6045870281021071
Energy: 0.6039640183376112
Energy: 0.6045870281021071
Energy: 0.6039640183376112
Energy: 0.6045870281021071
Energy: 0.6039640183380688
Energy: 0.5918423006354983
Energy: 0.5913854268733009
Energy: 0.5918423006354983
Energy: 0.5913854268733009
Energy: 0.5918423006354983
Energy: 0.5913854268733009
Energy: 0.5894692243543844
Energy: 0.5997792990394133
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Energy: 0.5997792990389557
Energy: 0.5894692243543844
Energy: 0.5997792990394133
Energy: 0.6339575790462738
Energy: 0.6076758842053012
Energy: 0.6339575790462738
Energy: 0.6076758842053012
Energy: 0.6339575790462738
Energy: 0.6076758842053012
Energy: 0.6033206667448362
Energy: 0.6290153171643715
Energy: 0.6033206667448362
Energy: 0.629015317163914
Energy: 0.6033206667448362
Energy: 0.6290153171643715
Energy: 0.589192012156065
Energy: 0.6215873774772998
Energy: 0.589192012156065
Energy: 0.6215873774772998
Energy: 0.589192012156065
Energy: 0.6215873774772998
Energy: 0.5992455753431193
Energy: 0.5900899197809951
Energy: 0.5992455753431193
Energy: 0.5900899197809951
Energy: 0.5992455753431193
Energy: 0.5900899197809951
Energy: 0.5923009705716227
Energy: 0.5902810884908971
Energy: 0.5923009705716227
Energy: 0.5902810884908971
Energy: 0.5923009705716227
Energy: 0.5902810884908971
Energy: 0.6321845343279491
Energy: 0.6073966090629574
Energy: 0.6321845343279491
Energy: 0.6073966090629574
Energy: 0.6321845343279491
Energy: 0.6073966090629574
Energy: 0.6179420565568812
Energy: 0.5949408491287075
Energy: 0.6179420565564236
Energy: 0.5949408491287075
Energy: 0.6179420565564236
Energy: 0.5949408491287075
Energy: 0.6403162812881575
Energy: 0.5910387707361543
Energy: 0.6403162812876999
Energy: 0.5910387707361543
Energy: 0.6403162812881575
Energy: 0.5910387707361543
Energy: 0.6060446719226784
Energy: 0.6375172800438035
Energy: 0.6060446719226784
Energy: 0.6375172800433458
Energy: 0.6060446719226784
Energy: 0.6375172800438035
Energy: 0.5957308797129582
Energy: 0.6219058174115909
Energy: 0.5957308797129582
Energy: 0.6219058174115909
Energy: 0.5957308797129582
Energy: 0.6219058174115909
Energy: 0.5852747711848558
Energy: 0.6153255383828788
Energy: 0.5852747711848558
Energy: 0.6153255383828788
Energy: 0.5852747711848558
Energy: 0.6153255383828788
Energy: 0.6001141586506126
Energy: 0.594646718148784
Energy: 0.6001141586506126
Energy: 0.594646718148784
Energy: 0.6001141586506126
Energy: 0.594646718148784
Energy: 0.5850555971855371
Energy: 0.6162467620529618
Energy: 0.5850555971855371
Energy: 0.6162467620529618
Energy: 0.5850555971855371
Energy: 0.6162467620534196
Energy: 0.6006303334917054
Energy: 0.5956432033234477
Energy: 0.600630333492163
Energy: 0.5956432033234477
Energy: 0.6006303334917054
Energy: 0.5956432033234477
Energy: 0.5992238968084274
Energy: 0.6178764815214295
Energy: 0.5992238968079698
Energy: 0.6178764815214295
Energy: 0.5992238968084274
Energy: 0.6178764815214295

minimum gb energy = 0.5763410597819076 eV
minimum distance =  2.52860169542992 Angstroms
sigma value = 57


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

Energy: 0.4959456274006845
Energy: 0.5210467220404753
Energy: 0.4959456274006845
Energy: 0.5210467220404753
Energy: 0.4959456274006845
Energy: 0.5210467220412897
Energy: 0.5776768893419549
Energy: 0.5501746203353193
Energy: 0.5776768893427693
Energy: 0.5501746203353193
Energy: 0.5776768893419549
Energy: 0.5501746203353193
Energy: 0.5384875197467848
Energy: 0.505791569895231
Energy: 0.5384875197467848
Energy: 0.505791569895231
Energy: 0.5384875197459704
Energy: 0.505791569895231
Energy: 0.5175699529339004
Energy: 0.5303058298557779
Energy: 0.5175699549118917
Energy: 0.5303058298557779
Energy: 0.5175699506416982
Energy: 0.5303058298549636
Energy: 0.5385010885127162
Energy: 0.5058222444438756
Energy: 0.5385010885127162
Energy: 0.5058222444438756
Energy: 0.5385010885127162
Energy: 0.5058222444438756
Energy: 0.5777832039423614
Energy: 0.5081933118640249
Energy: 0.5777832039423614
Energy: 0.5081933118640249
Energy: 0.5777832039423614
Energy: 0.5081933118640249
Energy: 0.4959456274006845
Energy: 0.5210467220404753
Energy: 0.4959456274014988
Energy: 0.521046722039661
Energy: 0.4959456274014988
Energy: 0.5210467220404753
Energy: 0.5776768893427693
Energy: 0.5501746203353193
Energy: 0.5776768893427693
Energy: 0.5501746203353193
Energy: 0.5776768893419549
Energy: 0.5501746203353193
Energy: 0.5384875197467848
Energy: 0.505791569895231
Energy: 0.5384875197459704
Energy: 0.505791569895231
Energy: 0.5384875197459704
Energy: 0.505791569895231
Energy: 0.5175699887397772
Energy: 0.5402042378379834
Energy: 0.5175699511089337
Energy: 0.5402042378355404
Energy: 0.5175699511610152
Energy: 0.5402042378371691
Energy: 0.5385010885127162
Energy: 0.5058222444438756
Energy: 0.5385010885127162
Energy: 0.5058222444438756
Energy: 0.5385010885127162
Energy: 0.5058222444430612
Energy: 0.5777832039423614
Energy: 0.5081933118648392
Energy: 0.5777832039423614
Energy: 0.5081933118640249
Energy: 0.5777832039423614
Energy: 0.5081933118648392
Energy: 0.4959456274006845
Energy: 0.521046722039661
Energy: 0.4959456274006845
Energy: 0.521046722039661
Energy: 0.4959456274014988
Energy: 0.5210467220404753
Energy: 0.5776768893427693
Energy: 0.5501746203353193
Energy: 0.5776768893419549
Energy: 0.5501746203353193
Energy: 0.5776768893427693
Energy: 0.5501746203353193
Energy: 0.5384875197467848
Energy: 0.505791569895231
Energy: 0.5384875197459704
Energy: 0.505791569895231
Energy: 0.5384875197467848
Energy: 0.505791569895231
Energy: 0.51756996353451
Energy: 0.5402042378363547
Energy: 0.5175699654929753
Energy: 0.5402042378371691
Energy: 0.5175699971841445
Energy: 0.5402042378363547
Energy: 0.5385010885127162
Energy: 0.5058222444438756
Energy: 0.5385010885127162
Energy: 0.5058222444430612
Energy: 0.5385010885127162
Energy: 0.5058222444438756

minimum gb energy = 0.4959456274006845 eV
minimum distance =  2.57223192930286 Angstroms
sigma value = 9


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

Energy: 0.6048664760134098
Energy: 0.6051245715973594
Energy: 0.6048664760134098
Energy: 0.6051245715973594
Energy: 0.6048664760134098
Energy: 0.6051245715973594
Energy: 0.6260648400655007
Energy: 0.6401973071854421
Energy: 0.6260648400655007
Energy: 0.6401973071854421
Energy: 0.6260648400661656
Energy: 0.6401973071854421
Energy: 0.622322076999417
Energy: 0.564650059195955
Energy: 0.6499359629084132
Energy: 0.564650059195955
Energy: 0.6499359629084132
Energy: 0.564650059195955
Energy: 0.5675665893534744
Energy: 0.6378732852307991
Energy: 0.5675665893534744
Energy: 0.6378732852307991
Energy: 0.5675665893534744
Energy: 0.6378732852301342
Energy: 0.5774120201920478
Energy: 0.5999291354094743
Energy: 0.5774120201920478
Energy: 0.5999291354094743
Energy: 0.5774120201927128
Energy: 0.5999291354101393
Energy: 0.5709791119204295
Energy: 0.5845798495042309
Energy: 0.5709791119204295
Energy: 0.5845798495042309
Energy: 0.5709791119204295
Energy: 0.5845798495042309
Energy: 0.6257687458475877
Energy: 0.6112935465099221
Energy: 0.6257687458475877
Energy: 0.6112935465099221
Energy: 0.6257687458475877
Energy: 0.6112935465099221
Energy: 0.5638030885933027
Energy: 0.5998952438081491
Energy: 0.5638030885933027
Energy: 0.5998952438081491
Energy: 0.5638030885933027
Energy: 0.5998952438081491
Energy: 0.6175737090948893
Energy: 0.5973727620192903
Energy: 0.6175737090955542
Energy: 0.5973727620192903
Energy: 0.6175737090955542
Energy: 0.5973727620192903
Energy: 0.5863464743858285
Energy: 0.5898081701776499
Energy: 0.5863464743858285
Energy: 0.5898081701776499
Energy: 0.5863464743858285
Energy: 0.5898081701776499
Energy: 0.5518210835702871
Energy: 0.5661774057931337
Energy: 0.5518210835702871
Energy: 0.5661774057937986
Energy: 0.5518210835702871
Energy: 0.5661774057937986
Energy: 0.6197956630498399
Energy: 0.6290304622379985
Energy: 0.6197956630498399
Energy: 0.6290304622379985
Energy: 0.6197956630498399
Energy: 0.6290304622379985
Energy: 0.561860409537049
Energy: 0.6167180197470783
Energy: 0.5618604095377139
Energy: 0.6167180197470783
Energy: 0.561860409537049
Energy: 0.6167180197477432
Energy: 0.5795677190559988
Energy: 0.6326562409884321
Energy: 0.5795677190559988
Energy: 0.6326562409884321
Energy: 0.5795677190559988
Energy: 0.6326562409884321
Energy: 0.7229742207495398
Energy: 0.6549993399095637
Energy: 0.7229742207495398
Energy: 0.6549993399102286
Energy: 0.609710995254768
Energy: 0.6549993399095637
Energy: 0.6159775061723163
Energy: 0.6006280000749498
Energy: 0.6159775061723163
Energy: 0.6006280000749498
Energy: 0.6159775061723163
Energy: 0.6006280000756148
Energy: 0.597613791695479
Energy: 0.5924732519438667
Energy: 0.597613791695479
Energy: 0.5924732519445316
Energy: 0.597613791695479
Energy: 0.5924732519438667
Energy: 0.6344268262514
Energy: 0.614216720694358
Energy: 0.634426826252065
Energy: 0.614216720694358
Energy: 0.6344268262514
Energy: 0.614216720694358
Energy: 0.5656141066273123
Energy: 0.5786354709245667
Energy: 0.5656141066273123
Energy: 0.5786354709245667
Energy: 0.5656141066273123
Energy: 0.5786354709245667
Energy: 0.584548569582422
Energy: 0.5906403309648366
Energy: 0.584548569582422
Energy: 0.5906403309641717
Energy: 0.584548569583087
Energy: 0.5906403309641717
Energy: 0.618650236709784
Energy: 0.583080440322553
Energy: 0.618650236709784
Energy: 0.583080440322553
Energy: 0.618650236709784
Energy: 0.583080440322553

minimum gb energy = 0.5518210835702871 eV
minimum distance =  2.5208729616753 Angstroms
sigma value = 27


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

Energy: 0.6531606765536643
Energy: 0.6928911915733978
Energy: 0.6351020057364372
Energy: 0.6928911915733978
Energy: 0.6531606765536643
Energy: 0.6928911915733978
Energy: 0.6254420767206114
Energy: 0.5727275518985313
Energy: 0.6254420767206114
Energy: 0.5727275518985313
Energy: 0.6254420767206114
Energy: 0.5727275518985313
Energy: 0.5774706822400841
Energy: 0.6111512625011378
Energy: 0.5774706822395236
Energy: 0.6111512625011378
Energy: 0.5774706822400841
Energy: 0.6111512625011378
Energy: 0.5783970456007006
Energy: 0.6144375990245197
Energy: 0.5783970456007006
Energy: 0.6144375990245197
Energy: 0.5783970456007006
Energy: 0.6144375990245197
Energy: 0.619187487350426
Energy: 0.6014528615381242
Energy: 0.619187487350426
Energy: 0.6014528615381242
Energy: 0.619187487350426
Energy: 0.6014528615381242
Energy: 0.6797906855928088
Energy: 0.6307704265836599
Energy: 0.6797906855928088
Energy: 0.6307704265836599
Energy: 0.6797906855928088
Energy: 0.6307704265836599
Energy: 0.621259065176392
Energy: 0.6069961078897991
Energy: 0.621259065176392
Energy: 0.6069961078897991
Energy: 0.621259065176392
Energy: 0.6069961078897991
Energy: 0.6552457929420958
Energy: 0.585615645522293
Energy: 0.6552457929420958
Energy: 0.585615645522293
Energy: 0.6552457929420958
Energy: 0.585615645522293
Energy: 0.6694756699535556
Energy: 0.6127372649436994
Energy: 0.6694971214331396
Energy: 0.6127372649436994
Energy: 0.6694756699535556
Energy: 0.6127372649436994
Energy: 0.6280042565389248
Energy: 0.6413949803772859
Energy: 0.6279504844549424
Energy: 0.6413949803772859
Energy: 0.6280042565389248
Energy: 0.6413949803772859
Energy: 0.6289038558541702
Energy: 0.6264688321304118
Energy: 0.6291089039246779
Energy: 0.6264688321304118
Energy: 0.6289038558547306
Energy: 0.6264688321304118
Energy: 0.6134569807179043
Energy: 0.594297811275575
Energy: 0.6134569807184647
Energy: 0.5942978111209599
Energy: 0.6134569807184647
Energy: 0.5942978109993874
Energy: 0.6083641241484732
Energy: 0.7651552753731704
Energy: 0.6083641241484732
Energy: 0.7651552753731704
Energy: 0.6083641241484732
Energy: 0.7651552753731704
Energy: 0.6227780763313409
Energy: 0.600881932401015
Energy: 0.6227780763313409
Energy: 0.600881932401015
Energy: 0.6227780763313409
Energy: 0.600881932401015
Energy: 0.6268276522205081
Energy: 0.6166343095198432
Energy: 0.6248679398667005
Energy: 0.6166343095204037
Energy: 0.6268276522205081
Energy: 0.6166343095204037
Energy: 0.6106559720590082
Energy: 0.6113636200660175
Energy: 0.6106559720590082
Energy: 0.6113636200660175
Energy: 0.6106559720590082
Energy: 0.6113636200660175
Energy: 0.6312775246430614
Energy: 0.6369874177772011
Energy: 0.6312775246352147
Energy: 0.6369874177772011
Energy: 0.6312775246285144
Energy: 0.6369874177766406
Energy: 0.609097443582373
Energy: 0.5978422974956487
Energy: 0.609097443582373
Energy: 0.5978422974956487
Energy: 0.609097443582373
Energy: 0.5978422974956487
Energy: 0.5854936176877673
Energy: 0.6573006861064312
Energy: 0.5657115830295482
Energy: 0.6573006861064312
Energy: 0.5854936176877673
Energy: 0.6573006861064312
Energy: 0.6531606765542247
Energy: 0.6928911915733978
Energy: 0.6351020057364372
Energy: 0.6928911915733978
Energy: 0.6531606765536643
Energy: 0.6928911915733978
Energy: 0.6254420767211718
Energy: 0.5727275518985313
Energy: 0.6254420767206114
Energy: 0.5727275518985313
Energy: 0.6254420767206114
Energy: 0.5727275518985313
Energy: 0.5774706822395236
Energy: 0.6111512625011378
Energy: 0.5774706822400841
Energy: 0.6111512625011378
Energy: 0.5774706822400841
Energy: 0.6111512625011378
Energy: 0.5783970456007006
Energy: 0.6144375990250801
Energy: 0.5783970456007006
Energy: 0.6144375990245197
Energy: 0.5783970456007006
Energy: 0.6144375990250801
Energy: 0.619187487350426
Energy: 0.6014528615381242
Energy: 0.619187487350426
Energy: 0.6014528615381242
Energy: 0.619187487350426
Energy: 0.6014528615381242
Energy: 0.6797906855933693
Energy: 0.6307704265836599
Energy: 0.6797906855928088
Energy: 0.6307704265836599
Energy: 0.6797906855928088
Energy: 0.6307704265836599

minimum gb energy = 0.5657115830295482 eV
minimum distance =  2.54865407851896 Angstroms
sigma value = 19


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

Energy: 0.5970663692082947
Energy: 0.6397770623446873
Energy: 0.5970663692078109
Energy: 0.6397770623451712
Energy: 0.5970663692082947
Energy: 0.6397770623451712
Energy: 0.6737074559882015
Energy: 0.600997087868836
Energy: 0.6737074559882015
Energy: 0.600997087868836
Energy: 0.6737074559882015
Energy: 0.600997087868836
Energy: 0.6551627327089925
Energy: 0.5963980481447906
Energy: 0.6551627327089925
Energy: 0.5963980481443069
Energy: 0.6551627327089925
Energy: 0.5963980481443069
Energy: 0.5787535064697547
Energy: 0.6391932490132815
Energy: 0.5787535064697547
Energy: 0.6391932490127976
Energy: 0.5787535064697547
Energy: 0.6391932490127976
Energy: 0.5927356200222544
Energy: 0.6630015534472677
Energy: 0.5927356200222544
Energy: 0.6630015534472677
Energy: 0.5927356200222544
Energy: 0.6630015534472677
Energy: 0.6172227952427589
Energy: 0.5807897182960307
Energy: 0.6172227952427589
Energy: 0.5807897182960307
Energy: 0.6172227952432428
Energy: 0.5807897182960307
Energy: 0.5959702827191871
Energy: 0.6529113721028003
Energy: 0.5959702827191871
Energy: 0.6529113721028003
Energy: 0.5959702827191871
Energy: 0.6529113721028003
Energy: 0.5889005439484204
Energy: 0.6755702630227743
Energy: 0.5889005439484204
Energy: 0.6755702630227743
Energy: 0.5889005439479366
Energy: 0.6755702630227743
Energy: 0.6341697923708708
Energy: 0.5648799716905257
Energy: 0.6341697923708708
Energy: 0.5648799716905257
Energy: 0.6341697923708708
Energy: 0.5648799716905257
Energy: 0.6224203687056428
Energy: 0.5984867923765097
Energy: 0.622420368705159
Energy: 0.5984867923765097
Energy: 0.6224203687056428
Energy: 0.5984867923765097
Energy: 0.5662609318793014
Energy: 0.6526903806473504
Energy: 0.5662609318793014
Energy: 0.6526903806473504
Energy: 0.5662609318793014
Energy: 0.6526903806478122
Energy: 0.6679637826667424
Energy: 0.5935007419176018
Energy: 0.6679637826667424
Energy: 0.5935007419176018
Energy: 0.6679637826667424
Energy: 0.5935007419176018
Energy: 0.6262000478456585
Energy: 0.6102017032506064
Energy: 0.6262000478461424
Energy: 0.6102017032506064
Energy: 0.6262000478456585
Energy: 0.6102017032506064
Energy: 0.5770169256663855
Energy: 0.6157966748072515
Energy: 0.5770169256663855
Energy: 0.6157966748072515
Energy: 0.5770169256663855
Energy: 0.6157966748067678
Energy: 0.6204989121680381
Energy: 0.5982328119967152
Energy: 0.6204989121680381
Energy: 0.5982328119967152
Energy: 0.6204989121680381
Energy: 0.5982328119967152
Energy: 0.6664767899388726
Energy: 0.5906424757018165
Energy: 0.6664767899388726
Energy: 0.5906424757018165
Energy: 0.6664767899388726
Energy: 0.5906424757018165
Energy: 0.5721829873843942
Energy: 0.6416106555151344
Energy: 0.5721829873843942
Energy: 0.6416106555151344
Energy: 0.5721829873843942
Energy: 0.6416106555151344
Energy: 0.6367327712813978
Energy: 0.6589240130718196
Energy: 0.6367327712813978
Energy: 0.6589240130718196
Energy: 0.6367327712818815
Energy: 0.6589240130718196
Energy: 0.6463444588744175
Energy: 0.577201613024324
Energy: 0.6463444588744175
Energy: 0.5772016130248078
Energy: 0.635284713610447
Energy: 0.5772016130248078
Energy: 0.6030598239605817
Energy: 0.6051215047402786
Energy: 0.6030598239605817
Energy: 0.6051215047402786
Energy: 0.6030598239605817
Energy: 0.6051215047402786
Energy: 0.5613705335671075
Energy: 0.6843651473757518
Energy: 0.5613705335671075
Energy: 0.6843651473757518
Energy: 0.5613705335671075
Energy: 0.6843651473757518
Energy: 0.6742298612877768
Energy: 0.592179959216713
Energy: 0.6742298612877768
Energy: 0.592179959216713
Energy: 0.6742298612877768
Energy: 0.592179959216713
Energy: 0.651396829728975
Energy: 0.5825655601521892
Energy: 0.651396829728975
Energy: 0.5825655601521892
Energy: 0.651396829728975
Energy: 0.5825655601521892
Energy: 0.5960483115316436
Energy: 0.6331714755405642
Energy: 0.5960483115316436
Energy: 0.6331714755405642
Energy: 0.5960483115316436
Energy: 0.6331714755405642
Energy: 0.5984959652754027
Energy: 0.588638088531879
Energy: 0.5984959652754027
Energy: 0.588638088531879
Energy: 0.5984959652754027
Energy: 0.588638088531879
Energy: 0.6529064728261632
Energy: 0.6086556833833432
Energy: 0.6529064728256794
Energy: 0.6086556833833432
Energy: 0.6529064728261632
Energy: 0.6086556833833432
Energy: 0.5616223473790163
Energy: 0.6111848006671627
Energy: 0.5616223473790163
Energy: 0.6111848006671627
Energy: 0.5616223473790163
Energy: 0.6111848006671627
Energy: 0.6099927556509818
Energy: 0.625508997010309
Energy: 0.6099927556509818
Energy: 0.625508997010309
Energy: 0.6099927556509818
Energy: 0.625508997010309
Energy: 0.6024166317942422
Energy: 0.576039200363324
Energy: 0.6024166317942422
Energy: 0.576039200363324
Energy: 0.6024166317942422
Energy: 0.576039200363324

minimum gb energy = 0.5613705335671075 eV
minimum distance =  2.53499722454352 Angstroms
sigma value = 101


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

Energy: 0.5640268247501865
Energy: 0.6537130058375819
Energy: 0.5640268247501865
Energy: 0.6537130058375819
Energy: 0.5640268247501865
Energy: 0.6537130058375819
Energy: 0.6723632342941578
Energy: 0.5824717679201502
Energy: 0.6723632342945831
Energy: 0.5824717679201502
Energy: 0.6723632342941578
Energy: 0.5824717679201502
Energy: 0.6719106809195257
Energy: 0.5899150057534955
Energy: 0.671910680919951
Energy: 0.5899150057534955
Energy: 0.671910680919951
Energy: 0.5899150057534955
Energy: 0.5346542985567556
Energy: 0.6753305873853754
Energy: 0.5346542985563304
Energy: 0.6486962916589896
Energy: 0.5346542985567556
Energy: 0.6486962916585644
Energy: 0.5809934562685676
Energy: 0.6382818560472879
Energy: 0.5809934562681424
Energy: 0.6382818560472879
Energy: 0.5809934562681424
Energy: 0.6382818560472879
Energy: 0.6442706541324031
Energy: 0.5518583555562642
Energy: 0.6442706541324031
Energy: 0.5518583555566894
Energy: 0.6442706541324031
Energy: 0.5518583555562642
Energy: 0.5820584646017212
Energy: 0.67684080074355
Energy: 0.5820584646021465
Energy: 0.67684080074355
Energy: 0.5820584646021465
Energy: 0.67684080074355
Energy: 0.5388422119764235
Energy: 0.7040764618296431
Energy: 0.5388422119768489
Energy: 0.7040764618296431
Energy: 0.5388422119768489
Energy: 0.7040764618296431
Energy: 0.635117692351477
Energy: 0.5409037020949246
Energy: 0.635117692351477
Energy: 0.5409037020949246
Energy: 0.635117692351477
Energy: 0.5409037020949246
Energy: 0.5804258238798208
Energy: 0.5763188940742167
Energy: 0.5804258238793956
Energy: 0.6435943650185612
Energy: 0.5804258238798208
Energy: 0.6435943650189866
Energy: 0.5350416561857559
Energy: 0.6609190961487222
Energy: 0.5350416561857559
Energy: 0.6609190961487222
Energy: 0.5350416561857559
Energy: 0.6609190961487222
Energy: 0.6528116138839123
Energy: 0.5989644709034486
Energy: 0.6528116138839123
Energy: 0.5989644709034486
Energy: 0.6528116138839123
Energy: 0.5989644709030232
Energy: 0.6361556611907301
Energy: 0.5927599523504445
Energy: 0.6361556611907301
Energy: 0.5927599523504445
Energy: 0.6361556611907301
Energy: 0.5927599523500193
Energy: 0.5660864591262053
Energy: 0.6790707119241131
Energy: 0.5660864591262053
Energy: 0.6608477607131533
Energy: 0.5660864591262053
Energy: 0.6608477607131533
Energy: 0.6800209556973347
Energy: 0.5585276640565895
Energy: 0.6800209556973347
Energy: 0.5585276640570148
Energy: 0.6800209556973347
Energy: 0.5585276640570148
Energy: 0.6723556337240617
Energy: 0.5448656527618029
Energy: 0.6723556337240617
Energy: 0.5448656527618029
Energy: 0.6723556337240617
Energy: 0.5448656527613776
Energy: 0.538241121851686
Energy: 0.6413806916523336
Energy: 0.538241121851686
Energy: 0.6413806916523336
Energy: 0.5382411218512607
Energy: 0.6413806916523336
Energy: 0.5433439529015798
Energy: 0.6004803717422267
Energy: 0.5433439529015798
Energy: 0.600480371742652
Energy: 0.5433439529011546
Energy: 0.6004803717422267
Energy: 0.6560557332580175
Energy: 0.5409858190133403
Energy: 0.6560557332584427
Energy: 0.5409858190133403
Energy: 0.6560557332580175
Energy: 0.540985819012915
Energy: 0.5794452254359594
Energy: 0.6131036258638641
Energy: 0.5794452254359594
Energy: 0.6131036258638641
Energy: 0.5794452254359594
Energy: 0.6131036258638641
Energy: 0.5363545953376164
Energy: 0.6604116360070649
Energy: 0.5363545953371912
Energy: 0.6604116360070649
Energy: 0.5363545953376164
Energy: 0.6604116360066395
Energy: 0.721789719235476
Energy: 0.5431625591373117
Energy: 0.721789719235476
Energy: 0.5431625591381622
Energy: 0.721789719235476
Energy: 0.5431625591368865
Energy: 0.6430344149365754
Energy: 0.5407097779096246
Energy: 0.6430344149365754
Energy: 0.5407097779104753
Energy: 0.6430344149365754
Energy: 0.5407097779100499
Energy: 0.5316466645674756
Energy: 0.6483187068318039
Energy: 0.5316466645674756
Energy: 0.6483187068322291
Energy: 0.5316466645674756
Energy: 0.6483187068313786
Energy: 0.6790735323677066
Energy: 0.6364161419699328
Energy: 0.6790735323677066
Energy: 0.6364161419699328
Energy: 0.6790735323677066
Energy: 0.6364161419699328
Energy: 0.6526560975953053
Energy: 0.5444040668883429
Energy: 0.6526560975953053
Energy: 0.5444040668883429
Energy: 0.6526560975953053
Energy: 0.5444040668883429
Energy: 0.5642043337865539
Energy: 0.648502696478716
Energy: 0.5642043337865539
Energy: 0.648502696478716
Energy: 0.5642043337865539
Energy: 0.648502696478716
Energy: 0.5734345729567035
Energy: 0.606498661197104
Energy: 0.5734345729562783
Energy: 0.606498661197104
Energy: 0.5734345729571289
Energy: 0.606498661197104
Energy: 0.6445785328818836
Energy: 0.5401111488598772
Energy: 0.6445785328818836
Energy: 0.5401111488641108
Energy: 0.6445785328818836
Energy: 0.5401111488611532
Energy: 0.5397709342177068
Energy: 0.6702913133341164
Energy: 0.5397709342177068
Energy: 0.6702913133341164
Energy: 0.5397709342177068
Energy: 0.6702913133345416
Energy: 0.5384169878414514
Energy: 0.610724869946978
Energy: 0.5384169878414514
Energy: 0.610724869946978
Energy: 0.5384169878414514
Energy: 0.610724869946978
Energy: 0.6500400931783632
Energy: 0.5431989326751241
Energy: 0.6500400931783632
Energy: 0.5431989326751241
Energy: 0.6500400931783632
Energy: 0.5431989326755493
Energy: 0.6939386216496426
Energy: 0.5408410455253441
Energy: 0.6939386216500678
Energy: 0.5408410455257694
Energy: 0.6939386216496426
Energy: 0.5408410455257694

minimum gb energy = 0.5316466645674756 eV
minimum distance =  2.55487915402358 Angstroms
sigma value = 33


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

Energy: 0.011721849674958372
Energy: 0.6389668043898603
Energy: 0.011721849674958372
Energy: 0.6389668043898603
Energy: 0.011721849674958372
Energy: 0.6389668043898603
Energy: 0.012540544393525954
Energy: 0.19350480305194553
Energy: 0.012540544393172598
Energy: 0.19350480305229892
Energy: 0.012540544393525954
Energy: 0.19350480305229892
Energy: 0.6395429199551983
Energy: 0.19387723237898133
Energy: 0.6395403524028258
Energy: 0.19388070344852193
Energy: 0.63954053768151
Energy: 0.19387955455769035
Energy: 0.012540544393525954
Energy: 0.19350480305229892
Energy: 0.012540544393525954
Energy: 0.19350480305194553
Energy: 0.012540544393525954
Energy: 0.19350480305229892

minimum gb energy = 0.011721849674958372 eV
minimum distance =  2.85657743996409 Angstroms
sigma value = 1