Model name: model_name=EAM_Dynamo_ZhouWadleyJohnson_2001_CuTa__MO_547744193826_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614939033985138
cohesive_energy=3.540272685207228
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
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: 0.013694928101444698
Energy: 0.014256871713287732
Energy: 0.7538224356826607
Energy: 0.01425687171391497
Energy: 0.014256871713287732
Energy: 0.5721674102075877
Energy: 0.014256871713287732
Energy: 0.5721674102075877
Energy: 0.7538224356826607
Energy: 0.01425687171391497
Energy: 0.013694928101444698
Energy: 0.01425687171391497
Energy: 0.014256871713287732
Energy: 0.5721674102075877
Energy: 0.014256871713287732
Energy: 0.5721674102075877

minimum gb energy = 0.013694928101444698 eV
minimum distance =  2.48320947584327 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.8152794920636143
Energy: 0.7927393541980755
Energy: 0.8107271624601327
Energy: 0.7927393541965541
Energy: 0.7702944223675434
Energy: 0.801274956826105
Energy: 0.7706020201572364
Energy: 0.8012749568268657
Energy: 0.7473119169612337
Energy: 0.7853478977981444
Energy: 0.7695904258800403
Energy: 0.785347897798905
Energy: 0.7687028544817862
Energy: 0.8025580779210171
Energy: 0.7544607904842394
Energy: 0.8025580779210171
Energy: 0.7709926094718174
Energy: 0.7935477929271225
Energy: 0.770266994784939
Energy: 0.7935477929286093
Energy: 0.7387384844957798
Energy: 0.7914301496055295
Energy: 0.7365041476099274
Energy: 0.7914301496062902
Energy: 0.7715824544153195
Energy: 0.7864130806546552
Energy: 0.7394773549887282
Energy: 0.786413080655416
Energy: 0.7037866048831644
Energy: 0.793016744875261
Energy: 0.73978718725668
Energy: 0.7930167448745002
Energy: 0.7555333518219617
Energy: 0.8023957749143515
Energy: 0.7681028675123208
Energy: 0.8023957749166338
Energy: 0.7329637597940521
Energy: 0.7849544387003138
Energy: 0.7050166083229414
Energy: 0.7849544387003138
Energy: 0.7682744851189457
Energy: 0.8050863943444256
Energy: 0.7557374000656691
Energy: 0.8050863943444256
Energy: 0.7853749996869406
Energy: 0.792892360140316
Energy: 0.7348949783909469
Energy: 0.792892360140316
Energy: 0.769485469111748
Energy: 0.7853332426943294
Energy: 0.7717945989873216
Energy: 0.7853332426958507
Energy: 0.7739045140292349
Energy: 0.7925285866271427
Energy: 0.7515774153401042
Energy: 0.7925285866263821
Energy: 0.7786581063725413
Energy: 0.7936641763232601
Energy: 0.7687609709409676
Energy: 0.7936641763240209
Energy: 0.7683697262683123
Energy: 0.7942546432825359
Energy: 0.7690849703982027
Energy: 0.7942546432817752
Energy: 0.7696677375227925
Energy: 0.785419448134972
Energy: 0.7237216975929585
Energy: 0.7854194481334505
Energy: 0.7707054561920169
Energy: 0.785463800829285
Energy: 0.7695646829583107
Energy: 0.7854638008277637
Energy: 0.7725571807194672
Energy: 0.7926371483122417
Energy: 0.734454732651341
Energy: 0.7926371483137631
Energy: 0.7709714811291889
Energy: 0.7735475798351346
Energy: 0.7583266067229891
Energy: 0.7735475798351346
Energy: 0.7339811182286015
Energy: 0.7848831523701704
Energy: 0.7194430177203682
Energy: 0.7848831523709311
Energy: 0.7546652495848521
Energy: 0.8133798834487527
Energy: 0.7684778149391981
Energy: 0.8133798834480265
Energy: 0.7708288290409919
Energy: 0.7935084512635773
Energy: 0.7371722754412446
Energy: 0.7935084512635773
Energy: 0.7368368209496551
Energy: 0.786090783685006
Energy: 0.7384128794581115
Energy: 0.786090783685006
Energy: 0.7395577325670579
Energy: 0.7914098723541554
Energy: 0.7713988477814601
Energy: 0.7914098723533949
Energy: 0.7732991077670986
Energy: 0.7932734765821623
Energy: 0.73557026026846
Energy: 0.7932734765806407
Energy: 0.7713245558001945
Energy: 0.7914173393967006
Energy: 0.7554870961384116
Energy: 0.7914173393936578
Energy: 0.7422782745018888
Energy: 0.7847232834528038
Energy: 0.8068101076864351
Energy: 0.7847232834520432
Energy: 0.7690216617868433
Energy: 0.797697389346995
Energy: 0.7681391529722132
Energy: 0.7976973893477558
Energy: 0.8122390575654629
Energy: 0.7926792975245174
Energy: 0.7860172234909614
Energy: 0.7926792975237567
Energy: 0.7739443240945701
Energy: 0.7909727796347967
Energy: 0.7692906739669721
Energy: 0.7909727796355575
Energy: 0.7551541215530289
Energy: 0.7854893099316128
Energy: 0.7739567724455637
Energy: 0.7854893099316128
Energy: 0.7709265658103529
Energy: 0.8032024567839618
Energy: 0.7552037504588709
Energy: 0.8032024567832011

minimum gb energy = 0.7037866048831644 eV
minimum distance =  2.31625756498765 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.8735004336098825
Energy: 0.8491672108717337
Energy: 0.8262795083585422
Energy: 0.8491672108752031
Energy: 0.8061281389464137
Energy: 0.8420995745291993
Energy: 0.8059893343660218
Energy: 0.8420995745291993
Energy: 0.7756837529386015
Energy: 0.8495602864145025
Energy: 0.8061195259996276
Energy: 0.8495602864145025
Energy: 0.7793481961394637
Energy: 0.817884053431755
Energy: 0.7733173883611972
Energy: 0.8178840534282857
Energy: 0.7799483378161596
Energy: 0.8387687075773372
Energy: 0.7673238756476253
Energy: 0.8387687075773372
Energy: 0.8351721794593686
Energy: 0.8385478100926199
Energy: 0.7826938360005982
Energy: 0.8385478100874159
Energy: 0.7786910782627233
Energy: 0.8188486109617051
Energy: 0.7831087917058683
Energy: 0.8188486109608377
Energy: 0.7348394455341987
Energy: 0.8493927994998413
Energy: 0.7782637352401831
Energy: 0.8493927994981066
Energy: 0.779515349542543
Energy: 0.8141637143506599
Energy: 0.8058981975370727
Energy: 0.8141637143471905
Energy: 0.7724303762222218
Energy: 0.8493768810565367
Energy: 0.8127660865268639
Energy: 0.849376881054802
Energy: 0.778797561077107
Energy: 0.8521452640654394
Energy: 0.8058109412899721
Energy: 0.8521452640741128
Energy: 0.7569706008392172
Energy: 0.8433002572104034
Energy: 0.805979682490772
Energy: 0.8433002572112707
Energy: 0.812578464027098
Energy: 0.8384073180128516
Energy: 0.8077704761132337
Energy: 0.8384073180076476
Energy: 0.8125398136344177
Energy: 0.8383915566098181
Energy: 0.7670127337702936
Energy: 0.8383915566072162
Energy: 0.7570917030442605
Energy: 0.8432608822490052
Energy: 0.8066559239688038
Energy: 0.8432608822446686
Energy: 0.7792724303507932
Energy: 0.8520989641375296
Energy: 0.8057905204531437
Energy: 0.8520989641383969
Energy: 0.7724193590685565
Energy: 0.8492419492702256
Energy: 0.764344850217814
Energy: 0.8492419492667561
Energy: 0.7792322348110725
Energy: 0.8141511578343341
Energy: 0.8057617171012619
Energy: 0.8141511578325995
Energy: 0.7348320077941812
Energy: 0.8493953196472259
Energy: 0.7689798182179435
Energy: 0.8493953196454912
Energy: 0.7792576504182309
Energy: 0.8191458131185566
Energy: 0.7716662599954826
Energy: 0.81914581311422
Energy: 0.8350920209975429
Energy: 0.8385537816379809
Energy: 0.794203426808823
Energy: 0.8385537816345117
Energy: 0.7796857693796524
Energy: 0.8386906066623938
Energy: 0.7746234292490788
Energy: 0.8386906066684651
Energy: 0.7796224615246333
Energy: 0.8178972170294
Energy: 0.7829825127133611
Energy: 0.8178972170294
Energy: 0.7755748339817239
Energy: 0.8496510560343804
Energy: 0.8067730084351615
Energy: 0.8496510560352477
Energy: 0.8060090127506956
Energy: 0.8420882351334812
Energy: 0.8057284695967375
Energy: 0.8420882351326138
Energy: 0.8735004336081479
Energy: 0.8491672108717337
Energy: 0.839044571148504
Energy: 0.8491672108752031
Energy: 0.8061281389455465
Energy: 0.8420995745291993
Energy: 0.8059893343660218
Energy: 0.842099574528332
Energy: 0.7756837529386015
Energy: 0.8495602864145025
Energy: 0.7978439025987065
Energy: 0.8495602864153698
Energy: 0.7793481961377291
Energy: 0.817884053431755
Energy: 0.7651041765088693
Energy: 0.8178840534282857

minimum gb energy = 0.7348320077941812 eV
minimum distance =  2.28378963199784 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.8313199344476032
Energy: 0.8938186235817328
Energy: 0.9207043894506073
Energy: 0.8938186235817328
Energy: 0.8216655999783791
Energy: 0.9071198486623856
Energy: 0.8195442180423087
Energy: 0.9071198486623856
Energy: 0.8024886369358811
Energy: 0.914629430833982
Energy: 0.8194845436621839
Energy: 0.9146294308329737
Energy: 0.8276738294078011
Energy: 0.8783577304424836
Energy: 0.7980615562019615
Energy: 0.8783577304424836
Energy: 0.8000507993427086
Energy: 0.894444042827351
Energy: 0.826453555074974
Energy: 0.894444042827351
Energy: 0.8866946248512745
Energy: 0.9147447848263817
Energy: 0.8205214069766583
Energy: 0.9147447848253734
Energy: 0.8200357062150706
Energy: 0.8237211203715172
Energy: 0.8071099112716588
Energy: 0.8237211203705088
Energy: 0.9445861749686835
Energy: 0.8943237827331192
Energy: 0.7669063818048765
Energy: 0.8943237827331192
Energy: 0.8071677100314087
Energy: 0.8754213412441965
Energy: 0.8219345865141051
Energy: 0.8754213412441965
Energy: 0.8202569542548896
Energy: 0.91465054422049
Energy: 0.793564040914785
Energy: 0.91465054422049
Energy: 0.826546625740884
Energy: 0.8944425327637254
Energy: 0.8194793883653337
Energy: 0.8944425327637254
Energy: 0.7988083063223285
Energy: 0.8939671118919302
Energy: 0.8195855485974559
Energy: 0.8939671118919302
Energy: 0.8193624017425557
Energy: 0.8773545353259251
Energy: 0.7947649249100905
Energy: 0.8773545353259251
Energy: 0.8080675324748818
Energy: 0.8201161168512376
Energy: 0.8215518320354688
Energy: 0.8201161168512376
Energy: 0.8594509209135478
Energy: 0.8941744610651718
Energy: 0.7657885301344732
Energy: 0.8941744610641635
Energy: 0.820014545912978
Energy: 0.8246084834543107
Energy: 0.7977152067097821
Energy: 0.8246084834543107
Energy: 0.7658835240587362
Energy: 0.9145177395119514
Energy: 0.7656832730528136
Energy: 0.9145177395129598
Energy: 0.7978185617038785
Energy: 0.8948502955489357
Energy: 0.8280096025710083
Energy: 0.8948502955479275
Energy: 0.8256234654079929
Energy: 0.8784441705304096
Energy: 0.7999090755262144
Energy: 0.8784441705304096
Energy: 0.8211490496931205
Energy: 0.9143544668656278
Energy: 0.8210710214240984
Energy: 0.9143544668646195
Energy: 0.8239666539134592
Energy: 0.8710805879552451
Energy: 0.8252175073629713
Energy: 0.8710805879552451
Energy: 0.829396975447546
Energy: 0.8942837715801063
Energy: 0.8866718379706156
Energy: 0.8942837715801063
Energy: 0.8201473322139012
Energy: 0.8744729490801494
Energy: 0.8199697001007895
Energy: 0.8744729490801494
Energy: 0.8013419373856528
Energy: 0.9146158918915018
Energy: 0.8202668744664618
Energy: 0.9146158918935184
Energy: 0.8198145674772114
Energy: 0.8802638302269321
Energy: 0.7970249037303472
Energy: 0.8802638302269321

minimum gb energy = 0.7656832730528136 eV
minimum distance =  2.29328219448139 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.8848452977243474
Energy: 0.8855552414151782
Energy: 0.9566909652085612
Energy: 0.8855552414163811
Energy: 0.8391592725900878
Energy: 0.9355818743856509
Energy: 0.8745557716087952
Energy: 0.9355818743856509
Energy: 0.7914797461262126
Energy: 0.8674700526278437
Energy: 0.8802582359189182
Energy: 0.8674700526302219
Energy: 0.869343366366725
Energy: 0.9421540036056336
Energy: 0.8011736739728899
Energy: 0.9421540036032281
Energy: 0.9507232040006484
Energy: 0.9352162418672589
Energy: 0.8630610241789218
Energy: 0.9352162418696646
Energy: 0.7915496836058106
Energy: 0.8710356090872116
Energy: 0.7953362965468358
Energy: 0.8710356090884142
Energy: 0.8679369562685701
Energy: 0.8008125712761057
Energy: 0.8007532316534645
Energy: 0.8008125712737002
Energy: 0.9099733887006084
Energy: 0.8717218843255566
Energy: 0.7951301651032014
Energy: 0.8717218843279622
Energy: 0.8677794726256255
Energy: 0.9353631907109432
Energy: 0.8779532462581084
Energy: 0.9353631907109432
Energy: 0.8711187772952226
Energy: 0.8681378081290326
Energy: 0.8008215287249724
Energy: 0.8681378081278299
Energy: 0.8284101657607904
Energy: 0.9406821581881327
Energy: 0.880071234490853
Energy: 0.9406821581869299
Energy: 0.8694018149064232
Energy: 0.9051737622138142
Energy: 0.8018144502515621
Energy: 0.9051737622126115
Energy: 0.7914260832384942
Energy: 0.885928219158583
Energy: 0.8495518301342696
Energy: 0.8859282191609886
Energy: 0.8253460347112072
Energy: 0.8711439857924059
Energy: 0.8747759425208806
Energy: 0.8711439857924059
Energy: 0.791436230048276
Energy: 0.8858676307829612
Energy: 0.8606061820633987
Energy: 0.8858676307829612
Energy: 0.8693215885442288
Energy: 0.9052058302137248
Energy: 0.8020458051158226
Energy: 0.9052058302113193
Energy: 0.8284248107479334
Energy: 0.9406514888574433
Energy: 0.8341613580444499
Energy: 0.9406514888562405
Energy: 0.8712966100437199
Energy: 0.8680596274838662
Energy: 0.800847941001593
Energy: 0.868059627485069
Energy: 0.8677099827439353
Energy: 0.9353900294392099
Energy: 0.8345218981450758
Energy: 0.9353900294404127
Energy: 0.9100882802900297
Energy: 0.8716473380898186
Energy: 0.795116627327634
Energy: 0.8716473380898186
Energy: 0.8678270063956157
Energy: 0.8009286781324252
Energy: 0.8007544561571798
Energy: 0.800928678133628

minimum gb energy = 0.7914260832384942 eV
minimum distance =  2.38581723838687 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.8220463720845118
Energy: 1.0135143602284071
Energy: 0.9610629683952103
Energy: 1.0135143602284071
Energy: 0.8146594464048452
Energy: 0.8163075922157744
Energy: 0.8124087261628311
Energy: 0.8163075922157744
Energy: 0.8124652660611091
Energy: 0.9444552204002162
Energy: 0.8122296096260144
Energy: 0.9444552204002162
Energy: 0.8242734166921034
Energy: 0.8558016999827613
Energy: 0.963839719883069
Energy: 0.8558016999797864
Energy: 0.9605847850647816
Energy: 0.8169347926665712
Energy: 0.8126095149917599
Energy: 0.8169347926665712
Energy: 0.8158968704053112
Energy: 0.8218492082332934
Energy: 0.8148397845052905
Energy: 0.8218492082362683
Energy: 0.8578063298894153
Energy: 0.9405370318355263
Energy: 0.8122459171192615
Energy: 0.9405370318370138
Energy: 0.9615887120664529
Energy: 1.0148968975979755
Energy: 0.8242608540534717
Energy: 1.0148968975979755
Energy: 0.8121850201940075
Energy: 0.8342930496079116
Energy: 0.8165168810473523
Energy: 0.8342930496079116
Energy: 0.9772495941776028
Energy: 0.9443358172403906
Energy: 0.8155127118125984
Energy: 0.9443358172403906
Energy: 0.9598459397216212
Energy: 1.0114154739819932
Energy: 1.0970787254441425
Energy: 1.0114154739819932
Energy: 0.8130764302407091
Energy: 0.8289793936516539
Energy: 0.9760729520657413
Energy: 0.8289793936516539
Energy: 0.96195798873743
Energy: 0.8576458060114954
Energy: 0.8121670091220781
Energy: 0.8576458060114954
Energy: 0.8123643178151281
Energy: 0.8553814580432195
Energy: 0.8224217759903006
Energy: 0.855381458041732
Energy: 0.8121885126108985
Energy: 1.011958096105184
Energy: 0.9602003701300101
Energy: 1.011958096105184
Energy: 0.8165865023256546
Energy: 0.8561282375017499
Energy: 0.8158690990899502
Energy: 0.8561282374854214
Energy: 0.812331730443147
Energy: 0.8842684813781242
Energy: 0.975508871420779
Energy: 0.8842684813781242

minimum gb energy = 0.8121670091220781 eV
minimum distance =  2.3649278464939 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.9332700253149491
Energy: 0.9041455466411435
Energy: 1.1211607054113397
Energy: 0.9041455466386161
Energy: 0.9682247154892331
Energy: 0.8971147110406582
Energy: 0.8375362682522144
Energy: 0.8971147110406582
Energy: 0.9626832832822453
Energy: 0.8395224143472877
Energy: 0.8374450840101316
Energy: 0.8395224143472877
Energy: 0.8387304485750738
Energy: 0.8413331284294746
Energy: 0.9139483730176043
Energy: 0.8413331284294746
Energy: 0.9742082537078501
Energy: 0.9006878844411871
Energy: 0.8667819297598902
Energy: 0.9006878844420295
Energy: 0.8403188160296496
Energy: 0.861458496851781
Energy: 0.9708664694879007
Energy: 0.861458496851781
Energy: 0.8414498384658287
Energy: 0.8941498767189013
Energy: 0.837592686957308
Energy: 0.8941498767180589
Energy: 0.9658779593434718
Energy: 0.8413025994388762
Energy: 0.8463671506326113
Energy: 0.841302599440561
Energy: 0.8429080865948867
Energy: 0.9297035699005225
Energy: 1.0028695945367054
Energy: 0.9297035699005225
Energy: 1.066926342175058
Energy: 0.8682772771148365
Energy: 0.8434633702365508
Energy: 0.868277277113994
Energy: 0.8408401536771267
Energy: 0.8413926487567325
Energy: 0.9634595575074909
Energy: 0.84139264875589
Energy: 0.8453421997957925
Energy: 0.8950627794205593
Energy: 0.8449058026809361
Energy: 0.8950627794205593
Energy: 0.9684671630882783
Energy: 0.8415648885253262
Energy: 0.8397607331550849
Energy: 0.8415648885270111
Energy: 0.8432407666535819
Energy: 0.9321037326865086
Energy: 0.9657449146321391
Energy: 0.9321037326865086
Energy: 0.9156872193710976
Energy: 0.8934593006299987
Energy: 0.8434014772946113
Energy: 0.8934593006308412
Energy: 0.9655707004881519
Energy: 0.8410244097741166
Energy: 0.965813946955252
Energy: 0.8410244097749591
Energy: 0.8377708108180472
Energy: 0.9237401168185109
Energy: 0.9716119866912503
Energy: 0.9237401168176685
Energy: 0.9538293736077014
Energy: 0.840547289968201
Energy: 0.8402680802122324
Energy: 0.8405472899707283
Energy: 0.8379138808089139
Energy: 0.942144948722191
Energy: 0.8965231253624258
Energy: 0.9421449487238758
Energy: 0.8376655969309603
Energy: 0.8403074713983163
Energy: 0.8388810201499275
Energy: 0.8403074713983163
Energy: 0.9039045626108658
Energy: 0.933452892777475
Energy: 0.9616790441122778
Energy: 0.9334528927766326
Energy: 0.8377150957129506
Energy: 0.9885667251463162
Energy: 1.0615136820712268
Energy: 0.9885667251463162
Energy: 1.0058514213439882
Energy: 0.9035602092741135
Energy: 0.8374842555549551
Energy: 0.9035602092741135
Energy: 0.8393647297488933
Energy: 0.8936329206039226
Energy: 0.9670228991164028
Energy: 0.8936329206047652
Energy: 0.8397660506936597
Energy: 0.8419122801974269
Energy: 0.9659385342047637
Energy: 0.8419122801797357
Energy: 1.004200524679683
Energy: 0.8410903829852381
Energy: 0.8383264097427243
Energy: 0.8410903829852381
Energy: 0.8523725597182155
Energy: 0.9725813348012992
Energy: 1.078391087256669
Energy: 0.9725813348021417
Energy: 0.9707036983152671
Energy: 0.8608989991137052
Energy: 0.9619247348348412
Energy: 0.8608989991128626
Energy: 1.0067557998149743
Energy: 0.9165791945185542
Energy: 0.8412297600556092
Energy: 0.9165791945168693
Energy: 0.8462924574830957
Energy: 0.9312304491922381
Energy: 0.9544237881919689
Energy: 0.9312304491905531

minimum gb energy = 0.8374450840101316 eV
minimum distance =  2.3411805702285 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.7934532699683939
Energy: 0.7931439473293409
Energy: 1.1539575348477158
Energy: 0.7931439473312804
Energy: 0.9674098679391031
Energy: 0.8696531346721954
Energy: 0.9005609362186829
Energy: 0.869653134670256
Energy: 0.7945665437907714
Energy: 0.7938383937361329
Energy: 0.8375546169701541
Energy: 0.7938383937341934
Energy: 0.7948740791913882
Energy: 0.7937855403016341
Energy: 0.8375593413351261
Energy: 0.7937855402996945
Energy: 0.96728953631966
Energy: 0.8696182944308521
Energy: 0.9001415812897836
Energy: 0.8696182944308521
Energy: 0.7934532699683939
Energy: 0.7931439473293409
Energy: 1.0887740547115865
Energy: 0.7931439473293409
Energy: 0.9674098679391031
Energy: 0.8696531346721954
Energy: 0.9719091541930712
Energy: 0.869653134670256
Energy: 0.7945665437907714
Energy: 0.7938383937361329
Energy: 0.8986090369589259
Energy: 0.7938383937322541
Energy: 0.794874079195267
Energy: 0.7937855403016341
Energy: 0.9004972776822768
Energy: 0.7937855402996945
Energy: 0.96728953631966
Energy: 0.8696182944308521
Energy: 0.9842740795710219
Energy: 0.8696182944308521
Energy: 0.7934532699683939
Energy: 0.7931439473293409
Energy: 1.1539575348477158
Energy: 0.7931439473312804
Energy: 0.9674098679391031
Energy: 0.8696531346721954
Energy: 0.9719091541930712
Energy: 0.869653134670256
Energy: 0.7945665437907714
Energy: 0.7938383937361329
Energy: 0.9846119799317089
Energy: 0.7938383937341934

minimum gb energy = 0.7931439473293409 eV
minimum distance =  2.33430921531119 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.8850946052034964
Energy: 1.0655862439688626
Energy: 1.1335983889123442
Energy: 1.0655862439688626
Energy: 1.0088876614520514
Energy: 0.9211551422414562
Energy: 0.8795257213271329
Energy: 0.9211551422407384
Energy: 0.8734740089770522
Energy: 0.8817051060079141
Energy: 0.8808695450512315
Energy: 0.8817051060064786
Energy: 0.9845277928615712
Energy: 1.0667144086984761
Energy: 0.8791390985793022
Energy: 1.066714408697758
Energy: 0.9977982460562544
Energy: 0.9258456329970701
Energy: 0.8803561181391394
Energy: 0.9258456329963521
Energy: 0.880428049246819
Energy: 0.8806275731505774
Energy: 0.9986950331540381
Energy: 0.8806275731505774
Energy: 1.1562638420791684
Energy: 0.9253762123527556
Energy: 0.87770211479738
Energy: 0.9253762123527556
Energy: 0.8733672929247261
Energy: 0.9472160727235618
Energy: 0.9937865324711483
Energy: 0.9472160727242798
Energy: 0.8750178014232564
Energy: 1.0701038339183644
Energy: 0.8799440911967119
Energy: 1.0701038339169289
Energy: 0.8744099435841848
Energy: 0.9222526303344715
Energy: 0.8767564847654284
Energy: 0.9222526303359072
Energy: 0.8738487240096487
Energy: 1.0667425603645266
Energy: 1.1536981981931587
Energy: 1.066742560363809
Energy: 1.0013736914212392
Energy: 1.0136326383857035
Energy: 0.8768940024675319
Energy: 1.0136326383864211
Energy: 0.8745714094260566
Energy: 0.9528775868856199
Energy: 1.0669544153492032
Energy: 0.9528775868877735
Energy: 0.9891591400985043
Energy: 1.0644024824193996
Energy: 0.8846378051232854
Energy: 1.064402482421553
Energy: 0.8750339660063703
Energy: 0.992192371607757
Energy: 0.9851666133488586
Energy: 0.992192371607757
Energy: 0.8763863118457383
Energy: 1.0690344922902637
Energy: 0.9922540519476064
Energy: 1.0690344922909816
Energy: 0.9335305362252064
Energy: 0.9914652172080969
Energy: 0.8748734200427152
Energy: 0.9914652172080969
Energy: 0.875295829027888
Energy: 0.9253036569386253
Energy: 0.9950870499198013
Energy: 0.9253036569400608
Energy: 1.0055289050114267
Energy: 0.986316369496621
Energy: 0.8803665822896719
Energy: 0.986316369496621
Energy: 0.8776754720199353
Energy: 0.9259478594739414
Energy: 0.9393522669787517
Energy: 0.9259478594732237
Energy: 0.9894023131467016
Energy: 1.064861717572576
Energy: 0.9873655567934118
Energy: 1.0648617175711403
Energy: 0.9394859429076041
Energy: 0.8826297283551432
Energy: 0.8745164755428594
Energy: 0.8826297283551432
Energy: 0.8800062184020763
Energy: 0.9879397303564966
Energy: 0.8748495079548321
Energy: 0.9879397303564966
Energy: 1.168226378410364
Energy: 0.9477093955875721
Energy: 0.8727095876145415
Energy: 0.9477093955868542
Energy: 0.8780301655118956
Energy: 1.016971072477748
Energy: 1.0892111644314022
Energy: 1.0169710724784657
Energy: 0.9402026220404974
Energy: 0.8807907161692019
Energy: 0.8733498941553307
Energy: 0.8807907161706376
Energy: 0.989588432181869
Energy: 0.9914161374420012
Energy: 0.984111189530415
Energy: 0.9914161374405656
Energy: 0.8840652251954342
Energy: 1.0681926344013828
Energy: 0.984537663613794
Energy: 1.0681926344013828
Energy: 0.9362282226656468
Energy: 0.8806897355812987
Energy: 0.8730149171833541
Energy: 0.8806897355827343
Energy: 0.8793894265616289
Energy: 1.0176824270357403
Energy: 1.0812212491964912
Energy: 1.0176824270364582
Energy: 1.1368898150807087
Energy: 0.9484874317423702
Energy: 0.8722596849665126
Energy: 0.9484874317438059
Energy: 0.8794301212339133
Energy: 0.9246699921748054
Energy: 0.8739052252119457
Energy: 0.9246699921748054
Energy: 0.8784968459005948
Energy: 0.8803844306278298
Energy: 0.8740035124019971
Energy: 0.8803844306263943
Energy: 0.993154471104546
Energy: 1.0667220803412394
Energy: 0.9849728432156569
Energy: 1.0667220803412394
Energy: 0.8803383316622255
Energy: 1.0081613247050922
Energy: 1.155092780314719
Energy: 1.00816132470581

minimum gb energy = 0.8722596849665126 eV
minimum distance =  2.30060715508682 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.9541070596188063
Energy: 0.9518062581275697
Energy: 1.0900209432885448
Energy: 0.9518062581252918
Energy: 0.9383773777491247
Energy: 0.9550083798164715
Energy: 0.881131434540027
Energy: 0.9550083798176102
Energy: 0.877932260145564
Energy: 0.9303290380286896
Energy: 0.8810245535916869
Energy: 0.9303290380275507
Energy: 0.8801446787521421
Energy: 0.8861134384273395
Energy: 0.8852129350297201
Energy: 0.8861134384262006
Energy: 0.9352864081226581
Energy: 0.9535295006930229
Energy: 0.8807713931628535
Energy: 0.9535295006930229
Energy: 0.8852815194840248
Energy: 0.8777757200681078
Energy: 1.0751763179377398
Energy: 0.8777757200669689
Energy: 1.130395636899951
Energy: 1.0115896809611167
Energy: 0.8784407568340514
Energy: 1.0115896809622555
Energy: 0.8835344827604992
Energy: 0.8847470287494396
Energy: 1.06247842297353
Energy: 0.8847470287517173
Energy: 1.1187930911635862
Energy: 0.8833704483545727
Energy: 0.8829006958468287
Energy: 0.8833704483545727
Energy: 0.877951468828063
Energy: 0.9482965797167886
Energy: 0.878197691083338
Energy: 0.9482965797179275
Energy: 0.8843294564103991
Energy: 0.8829014975017998
Energy: 1.0624617953803344
Energy: 0.8829014975006609
Energy: 1.000227940796517
Energy: 0.8887480615580189
Energy: 0.880301831893281
Energy: 0.8887480615591578
Energy: 0.8847464196180076
Energy: 0.952146217868134
Energy: 1.0547992876881314
Energy: 0.9521462178669952
Energy: 1.1018265228857884
Energy: 0.9988750615483069
Energy: 0.8858973034212434
Energy: 0.9988750615483069
Energy: 0.8834935091477204
Energy: 1.010354380180678
Energy: 1.0484248842900097
Energy: 1.0103543801784003
Energy: 1.0607509527942698
Energy: 0.8839773477686526
Energy: 0.8834542656943057
Energy: 0.8839773477675137
Energy: 0.9398134785346566
Energy: 0.9909636594613178
Energy: 0.8779681593993657
Energy: 0.990963659460179
Energy: 0.9414479511577025
Energy: 0.8854143967169587
Energy: 0.8773847723713515
Energy: 0.8854143967169587
Energy: 1.002651335834531
Energy: 0.8854966376525728
Energy: 0.8832461331402155
Energy: 0.8854966376525728
Energy: 0.8808746351938852
Energy: 0.9531366601275695
Energy: 1.106986637356502
Energy: 0.9531366601264306
Energy: 1.0920905161057033
Energy: 0.8779136838117354
Energy: 0.8868796820195899
Energy: 0.8779136838117354
Energy: 0.8853243562875703
Energy: 0.9535729543316109
Energy: 0.9608588295579282
Energy: 0.9535729543316109

minimum gb energy = 0.8773847723713515 eV
minimum distance =  2.29710703616355 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.9647309995583884
Energy: 0.9161286735841655
Energy: 1.1953919351932432
Energy: 0.9161286735841655
Energy: 1.1196500805595475
Energy: 0.9443791392276977
Energy: 0.8883393419122051
Energy: 0.944379139228503
Energy: 0.8920488875812418
Energy: 0.9168362155917379
Energy: 0.9084590596036012
Energy: 0.9168362155909325
Energy: 0.9209662100372313
Energy: 0.9597530214357701
Energy: 0.8976338690132141
Energy: 0.9597530214365755
Energy: 0.8986394721192151
Energy: 0.9498475289727886
Energy: 0.9085520011444898
Energy: 0.949847528968762
Energy: 0.8965637836647142
Energy: 0.9154750792436681
Energy: 1.0552444915083974
Energy: 0.9154750792420576
Energy: 1.008939194978509
Energy: 0.9763839420463936
Energy: 0.9018576896951063
Energy: 0.9763839420520306
Energy: 0.8963426778620379
Energy: 0.9151313081320531
Energy: 1.1042423084734356
Energy: 0.9151313081336637
Energy: 1.0151574369165597
Energy: 1.0099604163440776
Energy: 0.8999903696570151
Energy: 1.0099604163384406
Energy: 0.8891199300367029
Energy: 0.9685251035045537
Energy: 1.0391310092618742
Energy: 0.968525103499722
Energy: 0.9144188986611558
Energy: 0.9133109161172756
Energy: 0.9084802477962325
Energy: 0.9133109161180809
Energy: 0.9144235091838747
Energy: 1.0032638102885096
Energy: 0.9149420545565161
Energy: 1.0032638102885096
Energy: 0.9139767175775517
Energy: 0.9600806220839072
Energy: 0.9149434021284037
Energy: 0.960080622081528
Energy: 0.928732347576382
Energy: 0.9180721537354711
Energy: 0.9108741226298859
Energy: 0.9180721537338604
Energy: 0.887242461201955
Energy: 1.1123520963793516
Energy: 1.03138836603134
Energy: 1.112352096380157
Energy: 1.107769837747378
Energy: 0.9134740898638813
Energy: 0.9026739849450277
Energy: 0.9134740898638813
Energy: 0.8941829678243689
Energy: 0.959178618416836
Energy: 0.9720647431209753
Energy: 0.9591786184232785
Energy: 0.9081263118521857
Energy: 0.9374495114730773
Energy: 0.9151626419249186
Energy: 0.9374495114714666
Energy: 0.894380142027854
Energy: 0.9136156730963771
Energy: 0.913735260799772
Energy: 0.9136156730963771
Energy: 0.8956393436967974
Energy: 0.9614301954349542
Energy: 0.9577694344094633
Energy: 0.961430195439786
Energy: 0.9221218434418362
Energy: 0.9145784887833054
Energy: 0.9000470211472528
Energy: 0.9145784887849161
Energy: 0.8894859927163381
Energy: 0.9164354718061754
Energy: 1.0025502264338961
Energy: 0.9164354718053701
Energy: 1.0673221672000814
Energy: 0.9641574414951554
Energy: 0.9017472206129331
Energy: 0.9641574414951554
Energy: 0.962196228058126
Energy: 0.9629159726943871
Energy: 1.0962420582246177
Energy: 0.9629159726927765
Energy: 0.9583898111487678
Energy: 0.9505863156325595
Energy: 0.9129380532472857
Energy: 0.9505863156309489
Energy: 0.9141150173148174
Energy: 0.9148800832572039
Energy: 0.9079975493000284
Energy: 0.9148800832563986
Energy: 0.8921763078495568
Energy: 0.9143872226378202
Energy: 0.999418607058117
Energy: 0.9143872226442628
Energy: 0.9624909893171925
Energy: 0.9478834207572899
Energy: 0.8976423873761666
Energy: 0.9478834207621217
Energy: 0.8987936455348183
Energy: 0.9168424638918466
Energy: 1.0169327117535216
Energy: 0.9168424638870148
Energy: 1.1474601553421313
Energy: 0.906363523985579
Energy: 0.8883497371745886
Energy: 0.9063635239839682
Energy: 0.8988023789786133
Energy: 0.9174220238903068
Energy: 0.989507678910061
Energy: 0.9174220238951386

minimum gb energy = 0.887242461201955 eV
minimum distance =  2.27525803787904 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.8799916106316484
Energy: 0.9024663847226219
Energy: 0.8997272579045063
Energy: 0.9024663847229024
Energy: 0.8675947574697406
Energy: 0.8663435407053204
Energy: 0.8823373854784883
Energy: 0.8663435407083125
Energy: 0.8707642207794709
Energy: 0.9343160704812895
Energy: 1.00775766308631
Energy: 0.9343160704818505
Energy: 0.8816206107173361
Energy: 0.8664679034604522
Energy: 0.8699617905735513
Energy: 0.8664679034607328
Energy: 0.8808146140654851
Energy: 0.9241026642706798
Energy: 1.0088306076513947
Energy: 0.9241026642698382
Energy: 0.9022885681514806
Energy: 0.9291423457183723
Energy: 0.9022802701136398
Energy: 0.9291423457183723
Energy: 0.870754927515167
Energy: 0.9240944602141609
Energy: 0.8808410565184841
Energy: 0.9240944602141609
Energy: 0.869999325666519
Energy: 0.8664263660436661
Energy: 0.8817605822191102
Energy: 0.8664263660436661
Energy: 1.007733331549432
Energy: 0.9342832694239024
Energy: 0.9076871609530345
Energy: 0.9342832694247128

minimum gb energy = 0.8663435407053204 eV
minimum distance =  2.32909543470538 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.8362115485283423
Energy: 0.8696140023625384
Energy: 1.04468249700041
Energy: 0.8696140023640598
Energy: 0.9771947884240156
Energy: 0.8813230352627632
Energy: 0.8212765052199436
Energy: 0.8813230352642847
Energy: 0.8272383701563986
Energy: 0.8709201289641857
Energy: 0.9979978364130586
Energy: 0.870920128963425
Energy: 0.8286229547042206
Energy: 0.8985066467116924
Energy: 0.823207652466357
Energy: 0.8985066467109318
Energy: 0.8295519041439962
Energy: 0.8987807893749941
Energy: 0.9701827683795824
Energy: 0.8987807893765154
Energy: 0.8799736875481537
Energy: 0.8712040981796625
Energy: 0.8207258156442699
Energy: 0.8712040981789019
Energy: 0.8271686402999442
Energy: 0.8990713915791388
Energy: 0.8342256570740013
Energy: 0.8990713915776173
Energy: 0.823863344296083
Energy: 0.8726030721899324
Energy: 0.8230928327498819
Energy: 0.8726030721876502
Energy: 0.8296584796371632
Energy: 0.8993000455031745
Energy: 0.8448671597220841
Energy: 0.8993000455024138
Energy: 0.82657651827186
Energy: 0.8993985689030715
Energy: 0.8294892617332288
Energy: 0.8993985689030715
Energy: 0.848668172532654
Energy: 0.8730851559270328
Energy: 0.8289064582867653
Energy: 0.8730851559270328
Energy: 0.8287702932397284
Energy: 0.9187210353800823
Energy: 0.917091396083888
Energy: 0.9187210353800823
Energy: 0.879917736510237
Energy: 0.8705194890332573
Energy: 0.8722685941702008
Energy: 0.870519489034018
Energy: 0.8302166832224395
Energy: 0.8717813225510632
Energy: 0.8511037533357897
Energy: 0.8717813225487812
Energy: 0.8494151143705546
Energy: 0.8997335632542517
Energy: 0.8290941377913741
Energy: 0.8997335632557731
Energy: 0.8249477713571569
Energy: 0.8697580643668323
Energy: 0.8622028166083938
Energy: 0.8697580643668323
Energy: 0.963290881975697
Energy: 0.9207670885295951
Energy: 0.8210914665979272
Energy: 0.9207670885303558
Energy: 0.8305135339583272
Energy: 0.8712640496771151
Energy: 0.9278212233746267
Energy: 0.8712640496771151
Energy: 0.8224374988490948
Energy: 0.9005076915477925
Energy: 0.8215630346765384
Energy: 0.9005076915455105
Energy: 0.8274279817927691
Energy: 0.8977320544937945
Energy: 0.8562130977463343
Energy: 0.8977320544937945
Energy: 0.8282937426781768
Energy: 0.8982566817366171
Energy: 0.8244337939184633
Energy: 0.8982566817350957
Energy: 0.8303251711105302
Energy: 0.8995774299301763
Energy: 0.8334407899261419
Energy: 0.8995774299294155
Energy: 0.8209564691696459
Energy: 0.8719521194240097
Energy: 0.8276790534325524
Energy: 0.8719521194247704
Energy: 0.8860029967989078
Energy: 0.859840006992432
Energy: 0.8275615032351046
Energy: 0.8598400069916715
Energy: 0.8787464903021899
Energy: 0.8531557456663689
Energy: 0.8223639253984742
Energy: 0.8531557456671296
Energy: 0.8560155499258099
Energy: 0.8978718086815419
Energy: 0.8301399484046811
Energy: 0.8978718086830635
Energy: 0.8222972833446134
Energy: 0.8954225379431874
Energy: 0.8470763068613719
Energy: 0.8954225379416662
Energy: 0.8978764057156345
Energy: 0.8902574221296868
Energy: 0.8249439760793291
Energy: 0.8902574221296868
Energy: 0.8292808025442343
Energy: 0.8828585416407262
Energy: 0.9666967736858825
Energy: 0.8828585416399656
Energy: 0.9430518492758243
Energy: 0.8702688957578891
Energy: 0.8305907032240726
Energy: 0.87026889575865
Energy: 0.8226502997172574
Energy: 0.8460399579184691
Energy: 0.942159782321042
Energy: 0.8460399579184691
Energy: 0.9647819822778281
Energy: 0.8888646654232352
Energy: 0.8277020777995877
Energy: 0.8888646654224746
Energy: 0.8233215772023965
Energy: 0.8960655231902908
Energy: 0.8291438516368048
Energy: 0.8960655231918123

minimum gb energy = 0.8207258156442699 eV
minimum distance =  2.28228592625954 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.8261995963668864
Energy: 0.8260119835203492
Energy: 0.8607975831224022
Energy: 0.8260119835192974
Energy: 0.8087454279982489
Energy: 0.8391348362363013
Energy: 0.7735331039214899
Energy: 0.839134836237353
Energy: 0.7772471504100801
Energy: 0.8262636751489559
Energy: 0.9593458520959475
Energy: 0.8262636751468524
Energy: 0.8040186209315829
Energy: 0.8713274233959273
Energy: 0.7736542000647159
Energy: 0.871327423398031
Energy: 0.7766581318861435
Energy: 0.8981087965442321
Energy: 0.9712966964891848
Energy: 0.8981087965452841
Energy: 0.7761394227699754
Energy: 0.8294819664735457
Energy: 0.7736913879107316
Energy: 0.8294819664735457
Energy: 0.7766227102306278
Energy: 0.897775743221092
Energy: 0.827909221640772
Energy: 0.8977757432189883
Energy: 0.7765290421647773
Energy: 0.8290481494122856
Energy: 0.8356039042722126
Energy: 0.8290481494112338
Energy: 0.826056285699724
Energy: 0.8096545922582148
Energy: 0.8017021679351383
Energy: 0.8096545922550595
Energy: 0.8260773545987092
Energy: 0.8093182193121209
Energy: 0.8383515176814549
Energy: 0.8093182193110691
Energy: 0.7765122825896099
Energy: 0.8290782163519873
Energy: 0.8020526494879864
Energy: 0.8290782163519873
Energy: 0.7767999323589708
Energy: 0.8976467025002206
Energy: 0.8429997891808142
Energy: 0.8976467025023003
Energy: 0.7762802892131578
Energy: 0.8294900824204203
Energy: 0.7736569946440444
Energy: 0.8294900824235758
Energy: 0.7769312576611715
Energy: 0.8980854967912449
Energy: 0.9963277137179215
Energy: 0.8980854967922969
Energy: 0.8040347732752399
Energy: 0.8713948292622454
Energy: 0.7736549781261219
Energy: 0.8713948292643491
Energy: 0.7772371745958523
Energy: 0.8262804303463684
Energy: 0.863548049311721
Energy: 0.8262804303432131
Energy: 0.8087686765881706
Energy: 0.8390477208139054
Energy: 0.7734063848581736
Energy: 0.8390477208139054
Energy: 0.8261995963668864
Energy: 0.8260119835192974
Energy: 0.8605563644222255
Energy: 0.8260119835192974
Energy: 0.8087454279993007
Energy: 0.839134836237353
Energy: 0.7735331039214899
Energy: 0.839134836237353
Energy: 0.777247150411132
Energy: 0.8262636751489559
Energy: 1.1445049535431804
Energy: 0.8262636751468524
Energy: 0.8040186209315829
Energy: 0.8713274233959273
Energy: 0.773654200063664
Energy: 0.871327423398031
Energy: 0.7766581318871953
Energy: 0.8981087965442321
Energy: 0.9712966964881331
Energy: 0.8981087965452841
Energy: 0.7761394227710271
Energy: 0.8294819664735457
Energy: 0.7736913879107316
Energy: 0.8294819664735457
Energy: 0.7766227102306278
Energy: 0.8977757432200402
Energy: 0.8018935696046599
Energy: 0.8977757432189883

minimum gb energy = 0.7734063848581736 eV
minimum distance =  2.29963282796928 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.8150951284866264
Energy: 0.815402677572301
Energy: 1.0252300717513436
Energy: 0.8154026775736012
Energy: 0.9198366674255437
Energy: 0.799196423192446
Energy: 0.7767687948156426
Energy: 0.7991964231904957
Energy: 0.7810152749012595
Energy: 0.810176541042524
Energy: 1.0131870314980778
Energy: 0.8101765410464247
Energy: 0.8276306560876842
Energy: 0.7765730632968554
Energy: 0.7750229412890821
Energy: 0.7765730632962052
Energy: 0.7813862872671075
Energy: 0.8637571650701815
Energy: 0.7822640647796135
Energy: 0.8637571650682312
Energy: 0.7816663169828727
Energy: 0.7808355420819628
Energy: 0.7814846534280563
Energy: 0.7808355420826129
Energy: 0.7837655154263062
Energy: 0.8554195960084224
Energy: 0.8237185402973487
Energy: 0.8554195960097226
Energy: 0.7768970775211644
Energy: 0.8412917017422534
Energy: 0.776027218627378
Energy: 0.8412917017409532
Energy: 0.8195771502759489
Energy: 0.8311213353335519
Energy: 0.8193815587496888
Energy: 0.8311213353303015
Energy: 0.8220852491522368
Energy: 0.8306122675535617
Energy: 0.7836824483561009
Energy: 0.8306122675509613
Energy: 0.7808170364272324
Energy: 0.8211476348630657
Energy: 0.7753372105086527
Energy: 0.8211476348637159
Energy: 0.7843527049817786
Energy: 0.8416340600139153
Energy: 0.7834811784000548
Energy: 0.841634060012615
Energy: 0.7807159873739049
Energy: 0.8255015609478639
Energy: 0.7755040202033288
Energy: 0.8255015609459135
Energy: 0.7860386481289164
Energy: 0.8623491175058768
Energy: 0.8327361936618829
Energy: 0.8623491175052267
Energy: 0.775580916988054
Energy: 0.7849271836437777
Energy: 0.821431569348895
Energy: 0.7849271836437777
Energy: 0.7813402094231477
Energy: 0.810619583717439
Energy: 0.9224229201615399
Energy: 0.8106195837187393
Energy: 0.7936737064972315
Energy: 0.7861613069993242
Energy: 0.7753415132775122
Energy: 0.786161306998674
Energy: 0.775552956806714
Energy: 0.815215496179568
Energy: 0.7973701866663272
Energy: 0.8152154961789179
Energy: 0.905769005413883
Energy: 0.8448181489153257
Energy: 0.7833875691959399
Energy: 0.8448181489159758
Energy: 0.7820047257719014
Energy: 0.8105642267516393
Energy: 0.8389166772197262
Energy: 0.8105642267516393
Energy: 0.779322022685286
Energy: 0.7959012381439564
Energy: 0.775385867504039
Energy: 0.7959012381433063
Energy: 0.7760413180236473
Energy: 0.8167974492622058
Energy: 0.9170418046860753
Energy: 0.8167974492609055
Energy: 0.8115940911083647
Energy: 0.7812174196119073
Energy: 0.7827734094849534
Energy: 0.7812174196106071
Energy: 0.781281003844431
Energy: 0.8569071245981819
Energy: 0.920273632364417
Energy: 0.8569071245962315
Energy: 0.8185508197495386
Energy: 0.8159871610132714
Energy: 0.7752275444720824
Energy: 0.8159871610132714
Energy: 0.7751355288258611
Energy: 0.8644039002704305
Energy: 0.7936060352154086
Energy: 0.8644039002717308
Energy: 0.9052509928955682
Energy: 0.8276586602458624
Energy: 0.7823656623851252
Energy: 0.8276586602452123
Energy: 0.8251344022237769
Energy: 0.9310809743161248
Energy: 0.7750541100871744
Energy: 0.931080974317425
Energy: 0.8294362367103302
Energy: 0.8620575126644366
Energy: 0.7824476349340873
Energy: 0.8620575126637865
Energy: 0.775380890441568
Energy: 0.8251002520139086
Energy: 0.8120929264930741
Energy: 0.8251002520158588
Energy: 0.7895303991739461
Energy: 0.8622493977179273
Energy: 0.788935025882859
Energy: 0.8622493977172772
Energy: 0.7753618541084404
Energy: 0.822060282103896
Energy: 0.7783227009599125
Energy: 0.8220602821025959
Energy: 0.7821405517717351
Energy: 0.8307667033708125
Energy: 0.9267968541278023
Energy: 0.8307667033688623
Energy: 0.8126793203164309
Energy: 0.9398492750702294
Energy: 0.7845531162557133
Energy: 0.9398492750715296
Energy: 0.7837381781368798
Energy: 0.8172326827060243
Energy: 0.810132444724633
Energy: 0.8172326827053743
Energy: 0.8129143584959359
Energy: 0.8565552735459818
Energy: 0.7821658952220464
Energy: 0.856555273547282
Energy: 0.7824886143247063
Energy: 0.7823856573382569
Energy: 0.7833146903896907
Energy: 0.7823856573389071
Energy: 0.781435495509088
Energy: 0.8646957044797543
Energy: 0.7763298786774231
Energy: 0.8646957044791043

minimum gb energy = 0.7750229412890821 eV
minimum distance =  2.29392297170582 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.7168092905710735
Energy: 0.7170429622176092
Energy: 0.7789746548069629
Energy: 0.7170429622176092
Energy: 0.7185625706603298
Energy: 0.7302490549479916
Energy: 0.7266584225036119
Energy: 0.7302490549479916
Energy: 0.7248353311143445
Energy: 0.8290891828877364
Energy: 1.099667008235015
Energy: 0.8290891828877364
Energy: 0.7311333886063414
Energy: 0.7302703040248931
Energy: 0.726811277492391
Energy: 0.7302703040248931
Energy: 0.7173986229077264
Energy: 0.7933624647981738
Energy: 0.7193234430341623
Energy: 0.7933624647981738
Energy: 0.7187242993127785
Energy: 0.7179695789254135
Energy: 0.7209355714214247
Energy: 0.7179695789237125
Energy: 0.7250838827539914
Energy: 0.8304529707936847
Energy: 0.7280078969721379
Energy: 0.8304529707936847
Energy: 0.7473542021495126
Energy: 0.9185212331845519
Energy: 0.726659113267947
Energy: 0.9185212331845519
Energy: 0.7174768851704734
Energy: 0.7926539785429689
Energy: 0.7257202737484412
Energy: 0.7926539785429689
Energy: 0.7315482527256059
Energy: 0.7176641301150762
Energy: 0.7196924820250172
Energy: 0.7176641301133752
Energy: 0.7169522743406085
Energy: 0.7311554352392566
Energy: 0.7279151538400892
Energy: 0.7311554352375557
Energy: 0.7170871110924734
Energy: 0.8277688010329689
Energy: 0.7266216797695122
Energy: 0.8277688010329689
Energy: 0.7176329243160484
Energy: 0.7193286428782295
Energy: 0.7258045390167113
Energy: 0.7193286428782295
Energy: 0.7195540978129371
Energy: 0.7903132662380807
Energy: 0.7198786798387541
Energy: 0.7903132662380807
Energy: 0.745571742510342
Energy: 0.719310078891266
Energy: 0.7175731479384848
Energy: 0.719310078891266

minimum gb energy = 0.7168092905710735 eV
minimum distance =  2.31353936994034 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.7034817633361677
Energy: 0.680744435536777
Energy: 0.9268243456791637
Energy: 0.6807444355410546
Energy: 0.8319842404059195
Energy: 0.6920376106870977
Energy: 0.683858853897131
Energy: 0.692037610684959
Energy: 0.6814889172011448
Energy: 0.6811829071756687
Energy: 0.837141454783185
Energy: 0.6811829071756687
Energy: 0.6921440789996125
Energy: 0.6923945619880554
Energy: 0.6800445728693021
Energy: 0.6923945619887685
Energy: 0.6822177068959425
Energy: 0.738029110259724
Energy: 0.6920815820428393
Energy: 0.738029110258298
Energy: 0.6926212816344254
Energy: 0.6930010118299446
Energy: 0.6938366454152158
Energy: 0.6930010118263799
Energy: 0.6820330271133579
Energy: 0.7341177955744134
Energy: 0.6995089369225304
Energy: 0.7341177955737003
Energy: 0.6859112365471568
Energy: 0.691972724673682
Energy: 0.6938388948122443
Energy: 0.6919727246686913
Energy: 0.6821723063373657
Energy: 0.7341025542970585
Energy: 0.8235153425264805
Energy: 0.7341025542963456
Energy: 0.8568029798233712
Energy: 0.7463381987952209
Energy: 0.6801280429167008
Energy: 0.7463381987945078
Energy: 0.682261896919469
Energy: 0.7473248090662242
Energy: 0.6861421835060898
Energy: 0.7473248090718628
Energy: 0.7007787479505059
Energy: 0.7463831232207688
Energy: 0.6787672052636576
Energy: 0.7463831232164913
Energy: 0.7116267291619851
Energy: 0.6918475114881621
Energy: 0.6935530340782237
Energy: 0.6918475114867362
Energy: 0.9541144911734781
Energy: 0.7466321605061598
Energy: 0.6787831148680193
Energy: 0.7466321605054467
Energy: 0.6823078261112174
Energy: 0.6808326271262695
Energy: 0.6937632040053224
Energy: 0.680832627133399
Energy: 0.6978604708834503
Energy: 0.7470846294429508
Energy: 0.6827775024466398
Energy: 0.7470846294429508
Energy: 0.6890035736545919
Energy: 0.734221077533051
Energy: 0.6826964982295537
Energy: 0.7342210775337639
Energy: 0.6978648643795345
Energy: 0.7321824692673546
Energy: 0.7026019980546111
Energy: 0.7321824692673546
Energy: 0.7011205149230316
Energy: 0.6935930387131717
Energy: 0.7024314454287426
Energy: 0.6935930387124586
Energy: 0.7009829383471939
Energy: 0.6934758993644833
Energy: 0.7024343490933626
Energy: 0.6934758993587796
Energy: 0.697880864094379
Energy: 0.7322204709617315
Energy: 0.7023183254359318
Energy: 0.7322204709603056
Energy: 0.6888080761679647
Energy: 0.7343373446601512
Energy: 0.6827898451560926
Energy: 0.7343373446637158
Energy: 0.6977922404728537
Energy: 0.7468883972942714
Energy: 0.6828490042925428
Energy: 0.7468883972999749
Energy: 0.6822618908478952
Energy: 0.6808851876530522
Energy: 0.6915910534326717
Energy: 0.680885187654478
Energy: 0.9541548182026571
Energy: 0.7466704604991529
Energy: 0.6786819135782566
Energy: 0.746670460496301
Energy: 0.7116085357298625
Energy: 0.692133073829328
Energy: 0.6870559636077501
Energy: 0.6921330738307538
Energy: 0.7006206590335214
Energy: 0.7462109368964709
Energy: 0.6788665126727116
Energy: 0.7462109369007487
Energy: 0.6823181989965489
Energy: 0.7472659036690998
Energy: 0.6866392100953476
Energy: 0.747265903665535
Energy: 0.8571203688052641
Energy: 0.7462871781101155
Energy: 0.6798382285798252
Energy: 0.7462871781108285
Energy: 0.6819733847303676
Energy: 0.7343140914998302
Energy: 0.8223005461798855
Energy: 0.7343140914962655
Energy: 0.6807957932375893
Energy: 0.6920712194440803
Energy: 0.6938453397470847
Energy: 0.6920712194462192
Energy: 0.6823401667655844
Energy: 0.7340534671703497
Energy: 0.9560716944755316
Energy: 0.7340534671667849
Energy: 0.6924835635888698
Energy: 0.6930182214335219
Energy: 0.6938162152972354
Energy: 0.6930182214335219
Energy: 0.6823671201597775
Energy: 0.7379039049462245
Energy: 0.6917854401946144
Energy: 0.7379039049383821
Energy: 0.6919002560078458
Energy: 0.6923294474794192
Energy: 0.6800618868786978
Energy: 0.6923294474758545

minimum gb energy = 0.6786819135782566 eV
minimum distance =  2.33272350959791 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.7770946845516041
Energy: 0.649503117734353
Energy: 0.6450342697994353
Energy: 0.649503117734353
Energy: 0.7565649942039819
Energy: 0.7133662727630403
Energy: 0.6287647059019517
Energy: 0.713366272764267
Energy: 0.633757286937091
Energy: 0.6526000139439542
Energy: 0.6492379618794142
Energy: 0.6526000139439542
Energy: 0.7413678029505
Energy: 0.6347624254685915
Energy: 0.6306376773926318
Energy: 0.6347624254685915
Energy: 0.6284420679809494
Energy: 0.6346836824600584
Energy: 0.6394998489013853
Energy: 0.6346836824625115
Energy: 0.6455373989159876
Energy: 0.7136116625511715
Energy: 0.7611428647050162
Energy: 0.7136116625523982
Energy: 0.6256882251880967
Energy: 0.6563162094208419
Energy: 0.7572696114372903
Energy: 0.6563162094208419
Energy: 0.61914556007025
Energy: 0.6354217740700654
Energy: 0.6369125945482644
Energy: 0.6354217740700654
Energy: 0.6295781561523908
Energy: 0.6364017512533772
Energy: 0.6348117964814598
Energy: 0.6364017512558303
Energy: 0.939273753446094
Energy: 0.6361660589350752
Energy: 0.7610897797994739
Energy: 0.6361660589363017
Energy: 0.6366696683492774
Energy: 0.7506837822346598
Energy: 0.7439414847596606
Energy: 0.7506837822358864
Energy: 0.9179266938516338
Energy: 0.634867637195055
Energy: 0.6305003052128124
Energy: 0.6348676371962816
Energy: 0.7613189045021168
Energy: 0.7137311076015266
Energy: 0.6287905172906773
Energy: 0.7137311075990734
Energy: 0.9748815940819803
Energy: 0.7374115446245914
Energy: 0.6200657718300192
Energy: 0.7374115446233648
Energy: 0.7814216960375894
Energy: 0.6562353305649054
Energy: 0.6198644300003371
Energy: 0.6562353305636788
Energy: 0.7612096945240261
Energy: 0.6351074341093198
Energy: 0.6326667627302509
Energy: 0.6351074341105465
Energy: 0.7612367794525338
Energy: 0.7136695494183152
Energy: 0.6453156823605263
Energy: 0.7136695494183152
Energy: 0.7414831459808313
Energy: 0.6762070801982534
Energy: 0.6277558531958828
Energy: 0.6762070801982534
Energy: 0.6286539186653415
Energy: 0.6361952909466507
Energy: 0.6253628701986268
Energy: 0.6361952909478773
Energy: 0.6263831450076371
Energy: 0.6354736078041763
Energy: 0.7470227715173461
Energy: 0.6354736078041763

minimum gb energy = 0.61914556007025 eV
minimum distance =  2.33155633812865 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.5818132135556994
Energy: 0.5607776832204792
Energy: 0.8156385650450086
Energy: 0.5607776832204792
Energy: 0.7592364853295698
Energy: 0.5690385020416909
Energy: 0.563626527765385
Energy: 0.5690385020426487
Energy: 0.5584256477808148
Energy: 0.5586170965899847
Energy: 0.5594280434524629
Energy: 0.5586170965890269
Energy: 0.5675659692460796
Energy: 0.5693225879884826
Energy: 0.5638346885995311
Energy: 0.5693225879884826
Energy: 0.5628287385321196
Energy: 0.5691876144567355
Energy: 0.5576378457105455
Energy: 0.5691876144548197
Energy: 0.5540113139826004
Energy: 0.5692996595525578
Energy: 0.5638252601750056
Energy: 0.5692996595535156
Energy: 0.5637881405441395
Energy: 0.5586676470735632
Energy: 0.5681699491095206
Energy: 0.558667647074521
Energy: 0.5588831926909437
Energy: 0.5820366684101207
Energy: 0.5595974923928605
Energy: 0.5820366684101207
Energy: 0.5627216124963407
Energy: 0.5690403794896216
Energy: 0.7588648988080718
Energy: 0.5690403794896216
Energy: 0.5539840562302181
Energy: 0.5609695901315935
Energy: 0.5834823414389189
Energy: 0.5609695901325513
Energy: 0.563489366376984
Energy: 0.5589299918799904
Energy: 0.9428583741928783
Energy: 0.5589299918809483
Energy: 0.8199087144688854
Energy: 0.7612271570267442
Energy: 0.5596341362800599
Energy: 0.7612271570257864
Energy: 0.5628250541123719
Energy: 0.5692443682121275
Energy: 0.7511870534421003
Energy: 0.5692443682121275
Energy: 0.8050225990331865
Energy: 0.7373807557224594
Energy: 0.5637917133565387
Energy: 0.7373807557234172
Energy: 0.5634614313117451
Energy: 0.5587313014440873
Energy: 0.5622347004563315
Energy: 0.5587313014440873
Energy: 0.5698485911110097
Energy: 0.6482162660937675
Energy: 0.5597626337527336
Energy: 0.6482162660947254
Energy: 0.5628160275998354
Energy: 0.5818751891868031
Energy: 0.5589484827337847
Energy: 0.5818751891858454
Energy: 0.7572032243615275
Energy: 0.5686256179213628
Energy: 0.5637814136669664
Energy: 0.568625617920405
Energy: 0.586416891710089
Energy: 0.5590958062971176
Energy: 0.5541935375304952
Energy: 0.5590958062971176
Energy: 0.9404436381438687
Energy: 0.646789448453009
Energy: 0.5661913036893174
Energy: 0.6467894484520511
Energy: 0.5628496233733374
Energy: 0.5821225918097476
Energy: 0.5764698255209147
Energy: 0.5821225918097476
Energy: 0.5624075950044638
Energy: 0.5691886262814806
Energy: 0.5639212027680819
Energy: 0.5691886262805227
Energy: 0.5637532342249137
Energy: 0.5591295537839089
Energy: 0.8020648028566394
Energy: 0.5591295537839089
Energy: 0.5582376621995073
Energy: 0.646339841627652
Energy: 0.5661452418188752
Energy: 0.646339841627652
Energy: 0.5615288202911514
Energy: 0.6474292961420707
Energy: 0.7864249835713345
Energy: 0.6474292961430285
Energy: 0.5540900670080452
Energy: 0.581991581022511
Energy: 0.5640004103598387
Energy: 0.581991581022511

minimum gb energy = 0.5539840562302181 eV
minimum distance =  2.34111622673895 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.8445857983467184
Energy: 0.5188995468755201
Energy: 0.5243401542859191
Energy: 0.5188995468755201
Energy: 0.8410759324685696
Energy: 0.5106554340243383
Energy: 0.5082413594024906
Energy: 0.5106554340243383
Energy: 0.5174906430535099
Energy: 0.5066117436841172
Energy: 0.5149742642163737
Energy: 0.5066117436849025
Energy: 0.6790655100125091
Energy: 0.5109924964468008
Energy: 0.5083557157593516
Energy: 0.5109924964475862
Energy: 0.5050889523457328
Energy: 0.5285082382408995
Energy: 0.5103694276363604
Energy: 0.5285082382401143
Energy: 0.5175563534054087
Energy: 0.5110664603128794
Energy: 0.5083398866205647
Energy: 0.5110664603120941
Energy: 0.5076233893081347
Energy: 0.5108769815984233
Energy: 0.5176800140712675
Energy: 0.5108769815976381
Energy: 0.5045003835790114
Energy: 0.5180753164130977
Energy: 0.5056926230278396
Energy: 0.5180753164123123
Energy: 0.5103735489166074
Energy: 0.5197029786498647
Energy: 0.6790202428401668
Energy: 0.5197029786451532
Energy: 0.519659695261167
Energy: 0.5069108015843962
Energy: 0.5181641621791903
Energy: 0.5069108015851815
Energy: 0.5075548758188717
Energy: 0.5108714298007608
Energy: 0.8412909044643756
Energy: 0.5108714298007608
Energy: 0.5178672562741697
Energy: 0.5189782861552499
Energy: 0.845378347896627
Energy: 0.5189782861568204
Energy: 0.5103115228409548
Energy: 0.5222681335519413
Energy: 0.841225109145698
Energy: 0.5222681335488004
Energy: 0.6666223433992526
Energy: 0.5296238975946019
Energy: 0.5181887445344219
Energy: 0.5296238975985282
Energy: 0.5077464701219161
Energy: 0.5106933398814343
Energy: 0.836136633079026
Energy: 0.5106933398830049
Energy: 0.7184067105013039
Energy: 0.5197989422740136
Energy: 0.5057176877403317
Energy: 0.5197989422740136
Energy: 0.5100632170112996
Energy: 0.6833192094720755
Energy: 0.6756602915693444
Energy: 0.6833192094720755
Energy: 0.5193420567608201
Energy: 0.5232575376419514
Energy: 0.5081922365578544
Energy: 0.5232575376388104
Energy: 0.5076675323566249
Energy: 0.5183184925039497
Energy: 0.5134200898221702
Energy: 0.5183184925031645
Energy: 0.7043632255944685
Energy: 0.5192303409853214
Energy: 0.5150388108755176
Energy: 0.5192303409853214
Energy: 0.5203503714157036
Energy: 0.6833793196424556
Energy: 0.5079328815148892
Energy: 0.6833793196416704
Energy: 0.9739137541384186
Energy: 0.5278305758060298
Energy: 0.5082810951955318
Energy: 0.5278305758146318
Energy: 0.8463984961922071
Energy: 0.5179590515345162
Energy: 0.5148279764590473
Energy: 0.5179590515345162
Energy: 0.8423312490964714
Energy: 0.5179503725021344
Energy: 0.513231803492105
Energy: 0.5179503725052754
Energy: 0.5202435963187879
Energy: 0.5708042272197998
Energy: 0.5243191763794302
Energy: 0.5708042272213704
Energy: 0.8347030380290686
Energy: 0.8275692215916595
Energy: 0.508436352244902
Energy: 0.8275692215924448
Energy: 0.507643933158768
Energy: 0.518032582586967
Energy: 0.7155501376930072
Energy: 0.5180325825885375
Energy: 0.5148361465512115
Energy: 0.5183764452262324
Energy: 0.5131431544792792
Energy: 0.5183764452285881
Energy: 0.5101205507675469
Energy: 0.5751823406044437
Energy: 0.705015199553476
Energy: 0.5751823406036584
Energy: 0.5138432712698272
Energy: 0.5416375408391361
Energy: 0.5107459098786221
Energy: 0.541637540845418
Energy: 0.5075448187128813
Energy: 0.518010643169701
Energy: 0.699197846941649
Energy: 0.5180106431704862
Energy: 0.5083497428281024
Energy: 0.682003477337889
Energy: 0.523134804279182
Energy: 0.6820034773363541

minimum gb energy = 0.5045003835790114 eV
minimum distance =  2.33362916008326 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.8333613160476524
Energy: 0.48310711096182085
Energy: 0.7333237179197202
Energy: 0.483107110949847
Energy: 0.9409114280696242
Energy: 0.4749286017537146
Energy: 0.47424088512038143
Energy: 0.47492860176435814
Energy: 0.5572120726423176
Energy: 0.4785190729581449
Energy: 0.48873663160305475
Energy: 0.4785190729601405
Energy: 0.8201220752771433
Energy: 0.4784069147699116
Energy: 0.47398323911530627
Energy: 0.47840691476924635
Energy: 0.5435405132964432
Energy: 0.5259853139905228
Energy: 0.4824160146708794
Energy: 0.5259853139852012
Energy: 0.6797078223818382
Energy: 0.4728733007890931
Energy: 0.47454997615903716
Energy: 0.47287330078643225
Energy: 0.47713997449995865
Energy: 0.479497941336226
Energy: 0.5497052717322104
Energy: 0.4794979413355608
Energy: 0.5495354444191644
Energy: 0.47996692739000446
Energy: 0.4780523091305305
Energy: 0.47996692739066965
Energy: 0.4751617774493517
Energy: 0.48010964649555715
Energy: 0.7602514372770611
Energy: 0.48010964650353977
Energy: 0.5491364004287387
Energy: 0.48132324191460124
Energy: 0.5436980003929885
Energy: 0.48132324191792725
Energy: 0.4735129318577502
Energy: 0.47349967798888865
Energy: 0.8207750267134127
Energy: 0.47349967798755815
Energy: 0.48110654751562804
Energy: 0.47862992949753497
Energy: 0.557686468736988
Energy: 0.4786299295028567
Energy: 0.4752515034671848
Energy: 0.4867650541699853
Energy: 0.9410271169206693
Energy: 0.48676505416865484
Energy: 0.4722409949003369
Energy: 0.47558654743900414
Energy: 0.757618617060036
Energy: 0.4755865474370085
Energy: 0.47360390259402324
Energy: 0.475309909265006
Energy: 0.9976520335532766
Energy: 0.4753099092670017
Energy: 0.6110372593913757
Energy: 0.47855695733844233
Energy: 0.5576486946910051
Energy: 0.4785569573324554
Energy: 0.47503951602285593
Energy: 0.48473189710684644
Energy: 0.9367889805707105
Energy: 0.4847318971081769
Energy: 0.6403518090839279
Energy: 0.5310025423298971
Energy: 0.5439052472489238
Energy: 0.5310025423272363
Energy: 0.47480114803677426
Energy: 0.4727724686097245
Energy: 0.8179124672138103
Energy: 0.4727724686090593
Energy: 0.7139990692727379
Energy: 0.47350979396634174
Energy: 0.47783776130632283
Energy: 0.47350979397299386
Energy: 0.4794150280104886
Energy: 0.48619752995947363
Energy: 0.6859063298842561
Energy: 0.48619752996546056
Energy: 0.7111822058132454
Energy: 0.4792090135448455
Energy: 0.4771883710811609
Energy: 0.4792090135408542
Energy: 0.5450133338366044
Energy: 0.47398426093428436
Energy: 0.5489503587643232
Energy: 0.4739842609256366
Energy: 0.8213682198112043
Energy: 0.47412333297255316
Energy: 0.47417759826356704
Energy: 0.47412333297255316
Energy: 0.5586310748923735
Energy: 0.4872992406924929
Energy: 0.5522314095661253
Energy: 0.48729924068983205
Energy: 0.9412901659943855
Energy: 0.4805538352341161
Energy: 0.477078663014145
Energy: 0.48055383523677697
Energy: 0.8343942613364981
Energy: 0.47968642144773943
Energy: 0.47826410059711655
Energy: 0.47968642144707424
Energy: 1.0562795863792849
Energy: 0.4739531623249686
Energy: 0.4739871060617289
Energy: 0.47395316232563384
Energy: 0.5588677831810376
Energy: 0.5367880981466372
Energy: 0.4793145362472346
Energy: 0.5367880981479678
Energy: 0.8203414010341299
Energy: 0.48446308287128004
Energy: 0.4772025087979203
Energy: 0.4844630828692844
Energy: 0.5450231722987213
Energy: 0.5201460633443384
Energy: 0.650966438384852
Energy: 0.5201460633509907
Energy: 0.815038503090165
Energy: 0.4733194869908423
Energy: 0.47601481570251997
Energy: 0.4733194869815293
Energy: 0.47951176711319976
Energy: 0.48897306264742796
Energy: 0.7131017431378669
Energy: 0.48897306265008883
Energy: 0.5474759437209459
Energy: 0.4858845907258091
Energy: 0.4818980614673503
Energy: 0.48588459072913515
Energy: 0.47249507687469544
Energy: 0.6272060596200758
Energy: 0.7097279042564391
Energy: 0.6272060596214063
Energy: 0.5462627163524235
Energy: 0.4738629197035779
Energy: 0.5471777238203166
Energy: 0.47386291970956484
Energy: 0.47531817895168377
Energy: 0.5323955920485799
Energy: 0.9665487813675957
Energy: 0.5323955920539016

minimum gb energy = 0.4722409949003369 eV
minimum distance =  2.33150144341285 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.6887477265992389
Energy: 0.44544373267017245
Energy: 0.4400244278026889
Energy: 0.44544373267017245
Energy: 0.8921196117017819
Energy: 0.44344867019725587
Energy: 0.4266277502662074
Energy: 0.44344867019610196
Energy: 0.6709415057445557
Energy: 0.44271874746250534
Energy: 0.423053092149603
Energy: 0.44271874746308226
Energy: 0.787457917893369
Energy: 0.4436194127952459
Energy: 0.42658845772762954
Energy: 0.4436194127963998
Energy: 0.4415335296680328
Energy: 0.425871879378105
Energy: 0.4196690280753178
Energy: 0.42587187937695115
Energy: 0.6823065693746522
Energy: 0.4434747684524286
Energy: 0.4266439096641092
Energy: 0.44347476845127476
Energy: 0.42458281677315857
Energy: 0.4534163221610937
Energy: 0.440080376009007
Energy: 0.4534163221610937
Energy: 0.5610503589067868
Energy: 0.4424470476848422
Energy: 0.4265614338760399
Energy: 0.44244704768426524
Energy: 0.42611533702126914
Energy: 0.4335827752404988
Energy: 0.5610100272532521
Energy: 0.4335827752404988
Energy: 0.5390830137773543
Energy: 0.4530209552151621
Energy: 0.424910704524994
Energy: 0.4530209552151621
Energy: 0.42767218940339674
Energy: 0.4430644902275932
Energy: 0.6823840890394168
Energy: 0.44306449022701627
Energy: 0.41762526582312526
Energy: 0.44220900020966597
Energy: 0.44193109625890714
Energy: 0.4422090002108198
Energy: 0.4262112978133548
Energy: 0.43291302515556573
Energy: 0.7870684053235695
Energy: 0.4329130251549888
Energy: 0.42284996699502003
Energy: 0.44275115666435044
Energy: 0.6713592794691476
Energy: 0.4427511566637735
Energy: 0.42764247441096775
Energy: 0.44302890098294867
Energy: 0.8928734871872612
Energy: 0.44302890098294867
Energy: 0.4180543624952114
Energy: 0.44544999534411944
Energy: 0.6892385325404911
Energy: 0.4454499953435425
Energy: 0.42626016764147295
Energy: 0.4328938226157287
Energy: 0.892843056104161
Energy: 0.4328938226157287
Energy: 0.5380833750011184
Energy: 0.4428341318442809
Energy: 0.6713879766702273
Energy: 0.4428341318437039
Energy: 0.4276434873397093
Energy: 0.44314336383108827
Energy: 0.87771441689171
Energy: 0.44314336383108827
Energy: 0.565705403418042
Energy: 0.44579882288679307
Energy: 0.4419401447720607
Energy: 0.4457988228810498
Energy: 0.4262023852230158
Energy: 0.43282671858479166
Energy: 0.7701277234373919
Energy: 0.43282671858479166
Energy: 0.5632750043545939
Energy: 0.4429638445436498
Energy: 0.42494841570718894
Energy: 0.44296384454307286
Energy: 0.42761353579142586
Energy: 0.44225858154726483
Energy: 0.6614682350914083
Energy: 0.44225858154784176
Energy: 0.5598420885650573
Energy: 0.45477723779395446
Energy: 0.42660913619334395
Energy: 0.4547772377928005
Energy: 0.4263963588606673
Energy: 0.4422497647256011
Energy: 0.5392985676974564
Energy: 0.4422497647250242
Energy: 0.6828526447419375
Energy: 0.44295755228277495
Energy: 0.42904214988802514
Energy: 0.4429575522856597
Energy: 0.4432934716635266
Energy: 0.4420574292456932
Energy: 0.4174411756825357
Energy: 0.4420574292468471
Energy: 0.801834907639556
Energy: 0.45485191829958416
Energy: 0.4266003343286419
Energy: 0.4548519183001611
Energy: 0.6725471875480923
Energy: 0.4430139127521069
Energy: 0.4218869236317344
Energy: 0.44301391275152996
Energy: 0.9900436242807378
Energy: 0.4429693084831029
Energy: 0.42905712295260595
Energy: 0.4429693084831029
Energy: 0.6904304821183915
Energy: 0.4421436067793115
Energy: 0.42088505478782084
Energy: 0.4421436067793115
Energy: 0.8833830166584371
Energy: 0.45296885447236424
Energy: 0.42659945500442636
Energy: 0.45296885447294116
Energy: 0.6726484546572256
Energy: 0.4431157256977561
Energy: 0.4245922391081833
Energy: 0.44311572569717916
Energy: 0.8775110776703313
Energy: 0.44282052314033077
Energy: 0.42892982883857134
Energy: 0.44282052314263853
Energy: 0.4433477877792873
Energy: 0.4422791990871572
Energy: 0.5640954488813921
Energy: 0.4422791990871572
Energy: 0.664858415945728
Energy: 0.4532235760033755
Energy: 0.42666197471541595
Energy: 0.45322357600395247
Energy: 0.42627174191897116
Energy: 0.4432642690955268
Energy: 0.5632099691465918
Energy: 0.4432642690955268
Energy: 0.6614013176798278
Energy: 0.4425529395195044
Energy: 0.42890975908785883
Energy: 0.4425529395177736
Energy: 0.42777726345096284
Energy: 0.4423091995402072
Energy: 0.5598835402565601
Energy: 0.4423091995390533
Energy: 0.4161364245781116
Energy: 0.46620590321731104
Energy: 0.4281812071472318
Energy: 0.46620590321731104
Energy: 0.4293542141344359
Energy: 0.4433167449587638
Energy: 0.801835340137381
Energy: 0.4433167449593407
Energy: 0.41635150943596344
Energy: 0.4419590511243046
Energy: 0.44546913516462816
Energy: 0.44195905112488154
Energy: 0.42773780329716754
Energy: 0.443220325828594
Energy: 0.8010177694990183
Energy: 0.44322032582686316

minimum gb energy = 0.4161364245781116 eV
minimum distance =  2.34043105238356 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.01548862965656836
Energy: 0.016598827117530097
Energy: 0.581769584612921
Energy: 0.016598827124035112
Energy: 0.5816480683349446
Energy: 0.21516014925156077
Energy: 0.21523150019791673
Energy: 0.21516014925156077
Energy: 0.01548862965656836
Energy: 0.01659882711797362
Energy: 0.5817695846107528
Energy: 0.016598827118392504
Energy: 0.5816480683349446
Energy: 0.21516014925156077
Energy: 0.21523150020006043
Energy: 0.21516014925156077
Energy: 0.01548862965656836
Energy: 0.01659882711797362
Energy: 0.5817695846124775
Energy: 0.01659882712359159
Energy: 0.5816480683358071
Energy: 0.21516014925114185
Energy: 0.21523150019661083
Energy: 0.21516014925114185

minimum gb energy = 0.01548862965656836 eV
minimum distance =  2.54581875760944 Angstroms
sigma value = 1