Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150138288736343
cohesive_energy=6.810539118324262
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.951400167135179e-21, 3.1640905691875795e-20, 1.079846223019758e-19, 2.31107570747964e-19, 3.6951640580595598e-19, 4.957022353231619e-19, 6.00795409453758e-19, 6.86569537731582e-19, 7.572912165329759e-19, 8.166053977002899e-19, 8.669954550162239e-19, 9.100138976391239e-19, 9.466476663755339e-19, 9.77603321121048e-19, 1.003486484643318e-18, 1.024870736177316e-18, 1.042318439721576e-18, 1.056364722271854e-18, 1.067509462937958e-18, 1.0762108842372118e-18, 1.082824669382364e-18, 1.08746136856116e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.086998339513934e-18, 1.08133304293611e-18, 1.072676482582608e-18, 1.06066496435751e-18, 1.044862696216368e-18, 1.0247121206905498e-18, 9.99551538830214e-19, 9.68573453611824e-19, 9.307813111690319e-19, 8.84931822433854e-19, 8.29448445598434e-19, 7.623428794599779e-19, 6.810772762302299e-19, 5.82426454344948e-19, 4.62274422031386e-19, 3.1532278116090597e-19, 1.345946933630916e-19, -8.949934916953739e-20, -3.7113139985302795e-19, -7.327426661468279e-19, -1.2104556622234379e-18, -1.8601110503076597e-18, -2.7643154554718997e-18, -4.0448551301964e-18]
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: 0.017296387873980502
Energy: 1.5940803602637152
Energy: 2.9148644757033653
Energy: 0.017684733972996917
Energy: 1.5940803602637152
Energy: 0.23619512625538286
Energy: 1.58341681989071
Energy: 0.23619512625538286
Energy: 2.914635374990289
Energy: 1.58341681989071
Energy: 1.961286300860357
Energy: 1.5834168198883236
Energy: 0.017684733972996917
Energy: 0.23619512625538286
Energy: 1.58341681989071
Energy: 0.23619512625538286

minimum gb energy = 0.017296387873980502 eV
minimum distance =  2.68107242818583 Angstroms
sigma value = 1


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

Energy: 3.143682646011483
Energy: 1.6145641715854555
Energy: 1.6009000629289405
Energy: 1.6250739619108405
Energy: 2.9103087250551662
Energy: 1.5153794539469705
Energy: 1.5323518780763785
Energy: 1.515379453948974
Energy: 2.9345482857507044
Energy: 1.4771347601936617
Energy: 1.4750826759286644
Energy: 1.4771347601946634
Energy: 2.9285645141911107
Energy: 1.5104057144374454
Energy: 1.4750981782625066
Energy: 1.510405714439449
Energy: 2.913953571734905
Energy: 1.4777945991027377
Energy: 2.1112154876488414
Energy: 1.477794599105743
Energy: 2.9293837641319826
Energy: 1.7282690196912311
Energy: 1.9680131199671864
Energy: 1.7282690196932347
Energy: 2.500186860783652
Energy: 1.8038516468291774
Energy: 2.0247801587537135
Energy: 1.8038516468232126
Energy: 2.5156576322120903
Energy: 1.8054119326750346
Energy: 1.9606662030042403
Energy: 1.8054119326760365
Energy: 2.460026493606643
Energy: 1.6994961736985916
Energy: 2.2221626216867065
Energy: 1.6994961736955863
Energy: 2.514389977364794
Energy: 1.7420715279362917
Energy: 2.5261020916972465
Energy: 1.7420715279342884
Energy: 2.550033256470724
Energy: 1.8039608552153863
Energy: 2.35952463443712
Energy: 1.8039608552133826
Energy: 1.962243324406453
Energy: 1.8041953267043225
Energy: 2.508888012252637
Energy: 1.8041953267013169
Energy: 2.0427620272445615
Energy: 1.600770974643593
Energy: 2.5029871254306686
Energy: 1.6007709746425913
Energy: 1.9931632959305805
Energy: 1.6754845106813456
Energy: 2.9314285692817177
Energy: 1.6754845106833494
Energy: 2.0207704618801174
Energy: 1.4778145912729512
Energy: 3.1544524572553727
Energy: 1.4778145912709477
Energy: 1.5116310886688367
Energy: 1.5106857470942987
Energy: 2.966672933031648
Energy: 1.5106857470922954
Energy: 1.4770622039155792
Energy: 1.4773792567463917
Energy: 2.9121669708706652
Energy: 1.4773792567493969
Energy: 1.5669964688446254
Energy: 1.5163899503271598
Energy: 2.901858232672481
Energy: 1.5163899503271598
Energy: 1.5677586807268766
Energy: 1.4775698616069382
Energy: 3.3882267307156284
Energy: 1.4775698616059365
Energy: 1.759143137817261
Energy: 1.5652722416149254
Energy: 2.921798818793728
Energy: 1.5652722416139233
Energy: 1.6444754675914168
Energy: 1.6000799892223059
Energy: 2.9142502846398277
Energy: 1.6000799892193005
Energy: 1.6482304153915277
Energy: 1.4767330969721035
Energy: 2.830637459733524
Energy: 1.4767330969711017
Energy: 1.6464266695255394
Energy: 1.4781618894825685
Energy: 2.921742152293533
Energy: 1.4781618894865753
Energy: 2.2718130496069997
Energy: 1.4799909905821853
Energy: 2.824951273202746
Energy: 1.4799909905841886
Energy: 2.2348879995334276
Energy: 1.8853250866003768
Energy: 2.7096151533611232
Energy: 1.88532508660238
Energy: 2.240928355989091
Energy: 1.8849982357761939
Energy: 2.251616373825317
Energy: 1.8849982357751922
Energy: 2.24720321527336
Energy: 1.7083071039369069
Energy: 2.470231682725305
Energy: 1.7083071039379085
Energy: 2.8035785604193864
Energy: 1.892090859274426
Energy: 2.249925775307227
Energy: 1.8920908592754277
Energy: 2.6334331452836515
Energy: 1.4779264866199289
Energy: 2.249294480155119
Energy: 1.4779264866229342
Energy: 2.632556211518995
Energy: 1.4767974224808431
Energy: 1.7002467329966577
Energy: 1.4767974224798412
Energy: 2.8065574800309467
Energy: 1.6449883892783757
Energy: 1.659484047670042
Energy: 1.6449883892773736
Energy: 2.9128739099209047
Energy: 1.6788384118160653
Energy: 1.6996285507046551
Energy: 1.6788384118150634
Energy: 2.9224784560303747
Energy: 1.532887081026682
Energy: 1.8040211482057351
Energy: 1.5328870810286852

minimum gb energy = 1.4750826759286644 eV
minimum distance =  2.53966451993817 Angstroms
sigma value = 1


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

Energy: 3.4906970960940304
Energy: 1.5234398638031308
Energy: 1.5249546539119774
Energy: 1.7328336476151895
Energy: 2.8532633916844983
Energy: 1.5226523901619735
Energy: 1.6557605984553367
Energy: 1.5226523901608315
Energy: 2.8560540520810607
Energy: 1.5218107083529506
Energy: 1.5214358287425374
Energy: 1.5218107083529506
Energy: 2.8552370791134285
Energy: 1.5223701816923154
Energy: 1.522712306888085
Energy: 1.5223701816923154
Energy: 2.934557279736901
Energy: 1.5234282710774
Energy: 1.75672157464404
Energy: 1.5234282710785418
Energy: 2.85567079975898
Energy: 1.522348198797704
Energy: 1.9343217933455965
Energy: 1.5223481987942777
Energy: 2.894712041983047
Energy: 1.7653818987353167
Energy: 1.8847110799484936
Energy: 1.7653818987353167
Energy: 2.5939983531901465
Energy: 1.766013412606587
Energy: 1.9398918715408562
Energy: 1.766013412605445
Energy: 2.966375812854413
Energy: 1.7662467366608823
Energy: 1.9378245074727978
Energy: 1.7662467366620247
Energy: 2.5914214555367705
Energy: 1.7650740562726255
Energy: 2.546218135950261
Energy: 1.7650740562726255
Energy: 2.3531273606942054
Energy: 1.7666034156587935
Energy: 2.4126563831240544
Energy: 1.7666034156599357
Energy: 2.007343796471776
Energy: 1.7651952742328259
Energy: 2.2089293496850098
Energy: 1.7651952742316839
Energy: 1.9761083117217213
Energy: 1.765450712298032
Energy: 2.5522264207996495
Energy: 1.76545071229689
Energy: 2.011549836302408
Energy: 1.765737854098411
Energy: 2.890861742016785
Energy: 1.765737854098411
Energy: 2.0068423686183667
Energy: 1.6579535693688652
Energy: 2.7965753039028693
Energy: 1.6579535693688652
Energy: 1.6562435093078087
Energy: 1.5228269651042527
Energy: 2.8624600913809215
Energy: 1.5228269651053947
Energy: 1.5231351061260874
Energy: 1.5214020074059142
Energy: 2.892414716270794
Energy: 1.52140200740363
Energy: 1.5227041705345015
Energy: 1.5220351047674658
Energy: 2.8555353666371497
Energy: 1.5220351047686078
Energy: 1.6561932784759728
Energy: 1.5239885134725335
Energy: 2.9324690384737955
Energy: 1.5239885134736757
Energy: 2.0487767380846917
Energy: 1.5233842876483819
Energy: 2.855708524826443
Energy: 1.5233842876472394
Energy: 1.8822689515389501
Energy: 1.7656142346342785
Energy: 2.85350425007528
Energy: 1.7656142346354207
Energy: 1.8862258025018501
Energy: 1.7661146567930168
Energy: 2.5909829428729823
Energy: 1.766114656794159
Energy: 1.9365257294025646
Energy: 1.7661518654849977
Energy: 2.971861896148056
Energy: 1.7661518654861401
Energy: 2.550055916113092
Energy: 1.7661359718115244
Energy: 2.59451065111066
Energy: 1.7661359718126668
Energy: 2.207243886876013
Energy: 1.7658464639786369
Energy: 2.5890945997018746
Energy: 1.7658464639774947
Energy: 2.2105064572019026
Energy: 1.7652917960138124
Energy: 2.010296471072981
Energy: 1.7652917960138124
Energy: 2.550235588336601
Energy: 1.922832992984991
Energy: 1.9705717952163018
Energy: 1.922832992986133
Energy: 2.8907584115903417
Energy: 1.7653264577759638
Energy: 2.0092805289108884
Energy: 1.7653264577748216
Energy: 2.7981466065886043
Energy: 1.657273748044475
Energy: 2.005486952399963
Energy: 1.6572737480456174

minimum gb energy = 1.52140200740363 eV
minimum distance =  2.58394400415598 Angstroms
sigma value = 25


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

Energy: 3.304231474801593
Energy: 1.80984373808182
Energy: 1.7410505265435032
Energy: 1.7813499570685891
Energy: 2.7025958577528595
Energy: 1.6674747250557536
Energy: 1.8178847424655022
Energy: 1.6674747250544257
Energy: 2.7120410314912755
Energy: 1.6322480084200226
Energy: 1.6326627145375079
Energy: 1.6322480084186946
Energy: 2.711262553283745
Energy: 1.659048716309262
Energy: 1.7410973914461807
Energy: 1.6590487163119172
Energy: 2.9944259540996665
Energy: 1.6323051465046268
Energy: 2.322677512267757
Energy: 1.6323051465006437
Energy: 2.7111952000190995
Energy: 1.6587643437431305
Energy: 2.269316401886877
Energy: 1.6587643437444584
Energy: 2.71198946784885
Energy: 1.9608007016485047
Energy: 2.2876487556943665
Energy: 1.9608007016458493
Energy: 2.2409999072813367
Energy: 1.9591634533367424
Energy: 2.2422002918051347
Energy: 1.9591634533367424
Energy: 2.4107771599998786
Energy: 1.9620019022337782
Energy: 2.245401873421336
Energy: 1.9620019022337782
Energy: 2.2983093721685246
Energy: 1.8642524303825845
Energy: 2.711270552787372
Energy: 1.8642524303825845
Energy: 2.2519224412094636
Energy: 1.632090205203304
Energy: 2.7455701317034547
Energy: 1.6320902052059292
Energy: 1.657808850820731
Energy: 1.658666751164183
Energy: 2.746864290168389
Energy: 1.6586667511615278
Energy: 1.6324225260236431
Energy: 1.6312036979020634
Energy: 2.7137157415074475
Energy: 1.6312036979007356
Energy: 1.7426994808800802
Energy: 1.667815815390295
Energy: 2.701809640303168
Energy: 1.6678158153889673
Energy: 1.7420035423853792
Energy: 1.6335407551995655
Energy: 2.980590745764175
Energy: 1.6335407551955825
Energy: 1.9991780178565532
Energy: 1.7435487372580971
Energy: 2.703510651528309
Energy: 1.7435487372567693
Energy: 1.8562398410661816
Energy: 1.7934048997762657
Energy: 2.7111023363819533
Energy: 1.7934048997775935
Energy: 1.8584950532711786
Energy: 1.7957128977556704
Energy: 2.5771929979561885
Energy: 1.795712897753015
Energy: 1.9265122540460609
Energy: 1.7958923587770856
Energy: 2.396134993822244
Energy: 1.7958923587757578
Energy: 2.5793604357880513
Energy: 1.7943783008323924
Energy: 2.577344301273296
Energy: 1.7943783008337202
Energy: 2.388091922378731
Energy: 1.7961334559771456
Energy: 2.577811015660197
Energy: 1.796133455975818
Energy: 2.389388546944658
Energy: 1.7953157456395494
Energy: 1.9320826762288676
Energy: 1.7953157456382214
Energy: 2.5771187245208504
Energy: 1.8486193830272517
Energy: 1.8761473857031754
Energy: 1.8486193830272517
Energy: 2.7004575120967544
Energy: 1.6676690651180206
Energy: 1.932662866089323
Energy: 1.6676690651166928
Energy: 2.7088457755920454
Energy: 1.7149330342430928
Energy: 1.958803784718245
Energy: 1.7149330342417648

minimum gb energy = 1.6312036979007356 eV
minimum distance =  2.50812763300811 Angstroms
sigma value = 9


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

Energy: 2.96030857683179
Energy: 1.836045557550022
Energy: 1.8356935856846264
Energy: 1.8709615657489265
Energy: 2.553270964793373
Energy: 1.654866423575374
Energy: 1.8302325450546706
Energy: 1.654866423575374
Energy: 2.5527741907040338
Energy: 1.6547015572032389
Energy: 1.6581933075885118
Energy: 1.6547015572000712
Energy: 2.553400539974702
Energy: 1.6548517567079664
Energy: 2.0284828659549143
Energy: 1.6548517567095502
Energy: 2.2724300746781627
Energy: 1.6545624373307994
Energy: 1.8891636104645662
Energy: 1.654562437337135
Energy: 2.552789710241045
Energy: 1.6552987845995304
Energy: 2.2690383135638394
Energy: 1.6552987845916107
Energy: 2.551378328147161
Energy: 1.797810454186167
Energy: 1.6331435365906173
Energy: 1.7978104542051738
Energy: 2.274052881146888
Energy: 1.7958076046669647
Energy: 2.2433884931606967
Energy: 1.7958076046669647
Energy: 2.322539187365927
Energy: 1.7963108472166014
Energy: 2.129297695585454
Energy: 1.7963108472181852
Energy: 2.2696288884324436
Energy: 1.8298857789710734
Energy: 2.552449099552892
Energy: 1.8298857789710734
Energy: 2.0834086646378265
Energy: 1.8401805454007756
Energy: 2.957094736411159
Energy: 1.8401805454007756
Energy: 1.840825014407945
Energy: 1.657602847215238
Energy: 2.5003152975246836
Energy: 1.6576028472120703
Energy: 1.8412180287386706
Energy: 1.6571168206347469
Energy: 2.552769179802886
Energy: 1.6571168206284113
Energy: 1.8315285402305856
Energy: 1.6542035458045758
Energy: 2.5525473000235928
Energy: 1.6542035457982402
Energy: 1.8428872769440425
Energy: 1.6545665485286671
Energy: 2.2750929434603493
Energy: 1.6545665485239156
Energy: 2.2790382002344893
Energy: 1.6544458460831153
Energy: 2.554192609968456
Energy: 1.654445846073612
Energy: 1.631890924992243
Energy: 1.7968624709888201
Energy: 2.552359454041439
Energy: 1.7968624709904042
Energy: 1.6313011184863242
Energy: 1.796815030037419
Energy: 2.270178168234805
Energy: 1.796815030040587
Energy: 2.1317254355370765
Energy: 1.7971381650691005
Energy: 2.3216750055319504
Energy: 1.7971381650770197
Energy: 2.5536592433654874
Energy: 1.7955387726681096
Energy: 2.2774688467170825
Energy: 1.7955387726665255
Energy: 2.4997820392362287
Energy: 1.8314507209894526
Energy: 2.2758216600913377
Energy: 1.8314507209878688

minimum gb energy = 1.6313011184863242 eV
minimum distance =  2.55310090090583 Angstroms
sigma value = 25


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

Energy: 2.576204869575246
Energy: 1.95734602255162
Energy: 1.911472079909027
Energy: 2.024586766140478
Energy: 2.384273111610623
Energy: 1.8477684950150548
Energy: 2.0717180208573973
Energy: 1.8477684950150548
Energy: 2.470632129714213
Energy: 1.8235132382677814
Energy: 1.9523800625521885
Energy: 1.8235132382677814
Energy: 2.4685544037125724
Energy: 1.8297045612875567
Energy: 1.9623704694854258
Energy: 1.8297045612875567
Energy: 2.179026349180676
Energy: 1.8287274348635838
Energy: 2.157577109283926
Energy: 1.8287274348635838
Energy: 2.468472062109634
Energy: 1.828771465870884
Energy: 2.3864351305450846
Energy: 1.8287714658689251
Energy: 2.4674631374030485
Energy: 1.829272177126958
Energy: 2.4522381154400272
Energy: 1.829272177126958
Energy: 1.8270955254680776
Energy: 1.8293327272870938
Energy: 2.453668079236481
Energy: 1.8293327272949291
Energy: 1.829328407041525
Energy: 1.821235332923467
Energy: 2.401457417650157
Energy: 1.8212353329195496
Energy: 1.9595220175259742
Energy: 1.8478081796481969
Energy: 2.403022050096806
Energy: 1.8478081796481969
Energy: 1.957390037073111
Energy: 1.9566533393767735
Energy: 2.5082191269108014
Energy: 1.9566533393748147
Energy: 2.3492346520254275
Energy: 1.8462657412265335
Energy: 2.382869691228799
Energy: 1.8462657412284922
Energy: 2.158283199055693
Energy: 1.9650117765142756
Energy: 2.4028205661840163
Energy: 1.9650117765162345
Energy: 2.149842348089115
Energy: 1.96528328129235
Energy: 2.2584162783542254
Energy: 1.965283281290391
Energy: 2.349256947751263
Energy: 1.9416455934628307
Energy: 2.190991740072542
Energy: 1.9416455934628307
Energy: 2.3811374009721282
Energy: 1.9657942619861235
Energy: 2.260127288818491
Energy: 1.9657942619841646
Energy: 2.2881131701422444
Energy: 2.0728555846136834
Energy: 2.3696702665572467
Energy: 2.0728555846156422

minimum gb energy = 1.8212353329195496 eV
minimum distance =  2.55656569249035 Angstroms
sigma value = 17


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

Energy: 3.5979249470877743
Energy: 2.1921648029112992
Energy: 2.2106076067511786
Energy: 2.1140987903557997
Energy: 2.28890326359456
Energy: 2.035334592490152
Energy: 2.1541819824082777
Energy: 2.035334592490152
Energy: 2.321935308094058
Energy: 1.9568103567471145
Energy: 1.93386506622411
Energy: 1.9568103567460051
Energy: 2.277510945130129
Energy: 1.8815530923139734
Energy: 1.91689004080642
Energy: 1.8815530923139734
Energy: 2.358648885300257
Energy: 2.0148696019256342
Energy: 2.150977842074364
Energy: 2.0148696019223062
Energy: 2.3253069067508356
Energy: 2.109209172488453
Energy: 2.2620237483602654
Energy: 2.109209172488453
Energy: 2.3879195095849757
Energy: 2.005653017257495
Energy: 2.23841410104468
Energy: 2.0056530172552764
Energy: 2.020691137540328
Energy: 2.0193002295805575
Energy: 2.3362180435797226
Energy: 2.01930022957612
Energy: 1.9124849380899214
Energy: 1.9725511573249779
Energy: 2.2928778610724216
Energy: 1.9725511573249779
Energy: 1.8841181626468209
Energy: 1.9278551775797144
Energy: 2.2906259341369366
Energy: 1.9278551775797144
Energy: 2.0823889970844967
Energy: 1.8686679513520466
Energy: 2.3806702744419086
Energy: 1.8686679513531559
Energy: 2.297754572912239
Energy: 1.8839278605172904
Energy: 2.290399030447309
Energy: 1.8839278605150716
Energy: 2.2497804765797342
Energy: 1.8847256601054942
Energy: 2.302251190204814
Energy: 1.8847256601066036
Energy: 2.2477724630922475
Energy: 1.8853571824821362
Energy: 2.0830212553054244
Energy: 1.8853571824832456
Energy: 2.262410913281582
Energy: 1.929336127162862
Energy: 1.8850597694208042
Energy: 1.9293361271617526
Energy: 2.2617190125406794
Energy: 1.999761902896658
Energy: 1.922275004641033
Energy: 1.999761902896658
Energy: 2.2964976152092977
Energy: 2.0187051686549835
Energy: 2.12721531681492
Energy: 2.0187051686549835
Energy: 2.2968538949445527
Energy: 2.018571697807743
Energy: 2.365541212758985
Energy: 2.0185716978088526
Energy: 2.2617327500382975
Energy: 1.973496278414687
Energy: 2.277964929629566
Energy: 1.9734962784157966
Energy: 2.158419966793056
Energy: 2.0114464902354174
Energy: 2.301712793452971
Energy: 2.0114464902354174
Energy: 1.8431618347958498
Energy: 1.8808194800936484
Energy: 2.2789296298465325
Energy: 1.880819480094758
Energy: 1.9643364155314023
Energy: 1.9546933981178367
Energy: 2.284303275147559
Energy: 1.9546933981178367
Energy: 2.1912547819153168
Energy: 2.0595455813381345
Energy: 2.2967855055864304
Energy: 2.0595455813348065
Energy: 2.351527758172965
Energy: 2.1650940023066934
Energy: 2.2894503472462175
Energy: 2.1650940023055836
Energy: 2.273123533320845
Energy: 1.9313790052458912
Energy: 2.2833308111656603
Energy: 1.9313790052436726
Energy: 2.0639276865706186
Energy: 2.038468354792464
Energy: 2.2819986698245414
Energy: 2.0384683547913545
Energy: 2.147928102719887
Energy: 2.03930595146488
Energy: 2.127264122630185
Energy: 2.0393059514637706
Energy: 2.3215109650387546
Energy: 2.0392232347043855
Energy: 2.133126628179308
Energy: 2.0392232347099326
Energy: 2.2855813107121983
Energy: 1.9319821378443167
Energy: 2.3387915371714643
Energy: 1.931982137842098
Energy: 2.329134895358988
Energy: 1.9033816481745014
Energy: 2.482375401446982
Energy: 1.9033816481778296

minimum gb energy = 1.8431618347958498 eV
minimum distance =  2.52774607551936 Angstroms
sigma value = 53


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

Energy: 1.672153042498493
Energy: 2.565417168179758
Energy: 1.9914634075979725
Energy: 1.7105757037575544
Energy: 2.1227451729556996
Energy: 1.7198936635957787
Energy: 1.991073591138199
Energy: 1.7198936635957787
Energy: 2.1209016724478356
Energy: 1.7558679683622704
Energy: 1.989561099183327
Energy: 1.7558679683622704
Energy: 2.12131707859569
Energy: 1.753642911219877
Energy: 2.308127703811727
Energy: 1.7536429112224308
Energy: 1.9854058172803304
Energy: 1.7214179845195445
Energy: 2.3065803501307234
Energy: 1.7214179845169906
Energy: 2.1213322674196298
Energy: 1.7541648059192005
Energy: 2.3068374645743237
Energy: 1.7541648059217547
Energy: 2.120815032675961
Energy: 1.7543271480881482
Energy: 1.672785882137045
Energy: 1.7543271480881482
Energy: 1.9894423074873335
Energy: 1.7205867284626182
Energy: 1.673027126689542
Energy: 1.7205867284626182
Energy: 1.9884840565641797
Energy: 1.754747581972883
Energy: 2.1218323823320366
Energy: 1.754747581972883
Energy: 1.9891025476559516
Energy: 1.7542872515715497
Energy: 2.1213025995099
Energy: 1.7542872515741035
Energy: 2.3129880892145516
Energy: 2.073257929345493
Energy: 1.9855000164291157
Energy: 2.0732579293429394
Energy: 2.3095464261597147
Energy: 1.866417009441933
Energy: 2.131282666061419
Energy: 1.866417009441933
Energy: 1.6730167557904905
Energy: 1.7556174583503878
Energy: 2.1203164240614836
Energy: 1.7556174583503878

minimum gb energy = 1.672153042498493 eV
minimum distance =  2.52794746395012 Angstroms
sigma value = 9


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

Energy: 2.810815844783889
Energy: 2.373616081189164
Energy: 2.373789249646937
Energy: 2.5101241773687994
Energy: 2.2884068977509924
Energy: 2.0434413780409795
Energy: 2.374255037566455
Energy: 2.043441378040034
Energy: 2.265806096791113
Energy: 2.042106058318217
Energy: 2.1176046531776924
Energy: 2.0421060583191624
Energy: 2.171461935944912
Energy: 2.042291535820886
Energy: 2.0539528574640045
Energy: 2.042291535820886
Energy: 2.0250509128415994
Energy: 2.044070437166191
Energy: 2.215914754185814
Energy: 2.0440704371699723
Energy: 2.341851405354729
Energy: 2.044981011787371
Energy: 2.2865955263360815
Energy: 2.044981011785481
Energy: 2.3756989530664625
Energy: 2.3763522194590587
Energy: 2.6531462490525497
Energy: 2.3763522194581137
Energy: 2.5412327239972963
Energy: 2.3752986348350733
Energy: 2.763089250975909
Energy: 2.375298634832238
Energy: 2.419525125805174
Energy: 2.1029193315140504
Energy: 2.412172192132088
Energy: 2.1029193315177883
Energy: 2.0985774277816804
Energy: 2.1045552921533557
Energy: 2.1559741451240417
Energy: 2.1045552921533557
Energy: 2.420354190975028
Energy: 2.007673545012464
Energy: 1.9438847119701974
Energy: 2.007673545011519
Energy: 2.43402405843438
Energy: 2.0368905619046935
Energy: 2.143889590557732
Energy: 2.0368905619046935
Energy: 2.6592037872373746
Energy: 2.2193894208495113
Energy: 2.226745518684348
Energy: 2.2193894208466753
Energy: 2.6565205530767497
Energy: 2.218433922229307
Energy: 2.625482818092833
Energy: 2.2184339222321428
Energy: 2.4587377605321534
Energy: 2.1098332458562137
Energy: 2.5706746894470567
Energy: 2.109833245854323
Energy: 2.33711941854661
Energy: 2.1708707608691364
Energy: 2.4365141023756816
Energy: 2.170870760870082
Energy: 1.9855894529685203
Energy: 2.0085510569287486
Energy: 2.6079281656040703
Energy: 2.0085510569287486
Energy: 2.0457263512798685
Energy: 2.0667285630609467
Energy: 2.570105105278336
Energy: 2.0667285630533847
Energy: 2.096030524427894
Energy: 2.063629230812832
Energy: 2.601047881648605
Energy: 2.063629230812832
Energy: 2.1701499740822485
Energy: 2.175286772946125
Energy: 2.5636294763067218
Energy: 2.175286772946125
Energy: 2.605847286187908
Energy: 2.0655287570849987
Energy: 2.5364439009102884
Energy: 2.0655287570840537
Energy: 2.696455283568178
Energy: 2.0768591321658105
Energy: 2.476255380707856
Energy: 2.076859132164865
Energy: 2.6970612646944985
Energy: 2.0776014407925185
Energy: 2.0740836940659384
Energy: 2.0776014407915735
Energy: 2.637372974010682
Energy: 2.0369854629828645
Energy: 2.120060007527261
Energy: 2.036985462979084
Energy: 2.5919381447330356
Energy: 2.031892704035833
Energy: 2.0106935945758884
Energy: 2.031892704039614
Energy: 2.2656350624061035
Energy: 2.172564817301847
Energy: 2.0705814259826965
Energy: 2.172564817301847
Energy: 2.608834662050585
Energy: 2.0936238655345014
Energy: 2.457066694442208
Energy: 2.0936238655392283
Energy: 2.5817371594582936
Energy: 2.1222141524733775
Energy: 2.6024043947836044
Energy: 2.122214152471487
Energy: 2.220901822694903
Energy: 2.2196028259540457
Energy: 2.6900070486358754
Energy: 2.2196028259540457
Energy: 2.237864829860291
Energy: 2.053667235709681
Energy: 2.5212373361028004
Energy: 2.0536672357059005
Energy: 2.067437576365673
Energy: 2.0574546196082104
Energy: 2.37975022779843
Energy: 2.0574546196128938
Energy: 2.020896792882053
Energy: 2.0145642176641827
Energy: 2.299586561924289
Energy: 2.0145642176689087
Energy: 2.3400347150407397
Energy: 2.106102032117943
Energy: 2.3036670646787147
Energy: 2.106102032117943
Energy: 2.340689965068663
Energy: 2.0491074180617916
Energy: 2.474864414181192
Energy: 2.049107418063682
Energy: 2.7379344289944423
Energy: 2.3833233870564086
Energy: 2.5863034899276776
Energy: 2.383323387058299

minimum gb energy = 1.9438847119701974 eV
minimum distance =  2.52357776834298 Angstroms
sigma value = 73


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

Energy: 2.910225092430196
Energy: 2.455070681306351
Energy: 2.4554152297389495
Energy: 2.313595642936038
Energy: 2.4618848847828927
Energy: 2.185642120022845
Energy: 2.3378776734730913
Energy: 2.1856421200198453
Energy: 2.272891821147353
Energy: 2.0841689092281617
Energy: 2.232574184310221
Energy: 2.084168909229661
Energy: 2.188472635962927
Energy: 2.07887375468041
Energy: 2.0784304294390052
Energy: 2.0788737546819096
Energy: 2.189344886211949
Energy: 2.0846215300220923
Energy: 2.231687839518566
Energy: 2.0846215300220923
Energy: 2.255124115889503
Energy: 2.0997883946594804
Energy: 2.3887329509112143
Energy: 2.09978839466098
Energy: 2.3154351845810828
Energy: 2.313943857269294
Energy: 2.675154489013347
Energy: 2.313943857270793
Energy: 2.583102422521242
Energy: 2.313921325842245
Energy: 2.675182269304125
Energy: 2.313921325842245
Energy: 2.568143929876371
Energy: 2.109837776947274
Energy: 2.4615705939942845
Energy: 2.1098377769487735
Energy: 2.1908193688018325
Energy: 2.1112488580826616
Energy: 2.0943558984594066
Energy: 2.1112488580856614
Energy: 2.6271556563894762
Energy: 2.0212721006597127
Energy: 1.9771032728788167
Energy: 2.0212721006597127
Energy: 2.465290919453312
Energy: 2.1711082170020544
Energy: 2.113768325771696
Energy: 2.171108217003554
Energy: 2.44493876449843
Energy: 2.0956831886420106
Energy: 2.0958059710537973
Energy: 2.0956831886435103
Energy: 2.4430927569565632
Energy: 2.095293666883034
Energy: 2.597315288574107
Energy: 2.095293666883034
Energy: 2.6733135272134434
Energy: 2.100412736212346
Energy: 2.7314289521513637
Energy: 2.1004127362138454
Energy: 2.368796240426776
Energy: 2.095910069608304
Energy: 2.70999595718958
Energy: 2.0959100696053046
Energy: 2.094738971750719
Energy: 2.0952181620663044
Energy: 2.7047898304642404
Energy: 2.0952181620663044
Energy: 2.25403017655813
Energy: 2.0979970277564277
Energy: 2.554965743362388
Energy: 2.097997027754928
Energy: 1.9778878167556573
Energy: 2.0202584051797015
Energy: 2.5006187953936996
Energy: 2.0202584051767016
Energy: 2.1830568757203532
Energy: 2.110734700902021
Energy: 2.4643193524065503
Energy: 2.110734700902021
Energy: 2.389421836970627
Energy: 2.015396105315184
Energy: 2.6245730336781197
Energy: 2.0153961053166833
Energy: 2.6916077016946516
Energy: 2.1875578151887742
Energy: 2.5410860068067556
Energy: 2.1875578151872745

minimum gb energy = 1.9771032728788167 eV
minimum distance =  2.48055425700832 Angstroms
sigma value = 7


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

Energy: 3.569245433381483
Energy: 3.0954889756951274
Energy: 2.4305888054526075
Energy: 2.7088397269281437
Energy: 2.4235004560280884
Energy: 2.0976860526978793
Energy: 2.2414834297294166
Energy: 2.0976860526989394
Energy: 2.436683234909728
Energy: 2.08923739412298
Energy: 2.1866123822369996
Energy: 2.0892373941240403
Energy: 2.2734678282024174
Energy: 2.087094129353006
Energy: 2.1107633715370073
Energy: 2.0870941293540666
Energy: 2.278617280261122
Energy: 2.0887852120244985
Energy: 2.2676870786502037
Energy: 2.0887852120244985
Energy: 2.237317170290233
Energy: 2.0974474349029597
Energy: 2.6014504267761143
Energy: 2.0974474349050807
Energy: 2.2399389818217323
Energy: 2.241243772912967
Energy: 2.6198016697626785
Energy: 2.2412437729119064
Energy: 2.6457836925943847
Energy: 2.23887402007028
Energy: 2.60930307553071
Energy: 2.23887402007028
Energy: 2.602738589571236
Energy: 2.1526365128422174
Energy: 2.599659182487382
Energy: 2.1526365128443388
Energy: 2.265953394097105
Energy: 2.152877878646075
Energy: 2.011799945900977
Energy: 2.152877878648196
Energy: 2.6004152584817892
Energy: 2.009004838506937
Energy: 2.0077728496005447
Energy: 2.0090048385079977
Energy: 2.4894672778296862
Energy: 2.1392086353180813
Energy: 2.2441176599215815
Energy: 2.1392086353180813
Energy: 2.6404771776232354
Energy: 2.0104812356722146
Energy: 2.183986068620984
Energy: 2.010481235673275
Energy: 2.6170338617291544
Energy: 2.152177351854783
Energy: 2.421043976423077
Energy: 2.152177351854783
Energy: 2.5977631868523425
Energy: 2.0964179959843983
Energy: 2.4248004646738646
Energy: 2.0964179959843983
Energy: 2.4923729882852266
Energy: 2.097015253562852
Energy: 2.9422228672433497
Energy: 2.097015253562852
Energy: 2.4252632353740227
Energy: 2.096226033085523
Energy: 2.9730847814948813
Energy: 2.0962260330834024
Energy: 2.306218760234626
Energy: 2.122133409601072
Energy: 2.436646405833279
Energy: 2.1221334096021325
Energy: 2.1143154687327503
Energy: 2.0888650361228276
Energy: 2.2695001713153733
Energy: 2.088865036121767
Energy: 2.1855499655404986
Energy: 2.0929471852481147
Energy: 2.117147699041002
Energy: 2.092947185249175
Energy: 2.2715792504459094
Energy: 2.1224076031062515
Energy: 2.242105167894979
Energy: 2.1224076031073116
Energy: 2.6286569217813667
Energy: 2.2386587383661194
Energy: 2.2394477813720295
Energy: 2.23865873836718
Energy: 2.6281696742157923
Energy: 2.2397382763354674
Energy: 2.514229982971789
Energy: 2.2397382763354674
Energy: 2.6002371805660216
Energy: 2.0099892987943733
Energy: 2.6471930101729355
Energy: 2.0099892987922523
Energy: 2.424147204595835
Energy: 2.1527250103626163
Energy: 2.265765117937293
Energy: 2.1527250103615563
Energy: 2.0110008761662277
Energy: 2.0092792427930926
Energy: 2.2680330384733702
Energy: 2.009279242796274
Energy: 2.0794915586833684
Energy: 2.231803607361625
Energy: 2.6211775344324413
Energy: 2.2318036073637457
Energy: 2.011139563501452
Energy: 2.012105229628257
Energy: 2.691199269842612
Energy: 2.012105229628257
Energy: 2.0115774567050058
Energy: 2.152919476012649
Energy: 2.634755683689035
Energy: 2.152919476012649
Energy: 2.4238127177326976
Energy: 2.012457292820274
Energy: 2.6884396140258
Energy: 2.012457292821335
Energy: 2.9687499290650585
Energy: 2.096898756156895
Energy: 2.6883265344578082
Energy: 2.0968987561558343

minimum gb energy = 2.0077728496005447 eV
minimum distance =  2.49200528319738 Angstroms
sigma value = 29


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

Energy: 2.6598249880009703
Energy: 2.6683081408310474
Energy: 2.26404401829489
Energy: 2.0885230663081202
Energy: 2.408218219391074
Energy: 1.8905904524998591
Energy: 2.2613994898930603
Energy: 1.8905904524998591
Energy: 2.4893734299050467
Energy: 1.9427131558268294
Energy: 2.114730863796708
Energy: 1.942713155825762
Energy: 2.368148031841476
Energy: 1.8889373467643709
Energy: 1.7462259450576376
Energy: 1.8889373467640016
Energy: 2.3693818552291255
Energy: 1.9656791460102967
Energy: 2.2645731267557503
Energy: 1.9656791460110354
Energy: 2.367358861479249
Energy: 1.8864791984226985
Energy: 2.2657403831617473
Energy: 1.8864791984226985
Energy: 2.5639012360178097
Energy: 2.259710829018732
Energy: 2.063294421170777
Energy: 2.2597108290183625
Energy: 2.4156104703089354
Energy: 2.073981059320903
Energy: 2.204821869012249
Energy: 2.073981059316553
Energy: 2.3464107167250026
Energy: 2.054236983243742
Energy: 2.3223726182314826
Energy: 2.0542369832433724

minimum gb energy = 1.7462259450576376 eV
minimum distance =  2.42662865720199 Angstroms
sigma value = 5


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

Energy: 2.977702772486719
Energy: 2.940714825584301
Energy: 2.835990921136524
Energy: 2.7771951826072505
Energy: 1.9530618064314347
Energy: 2.147894944081359
Energy: 2.4916612263897444
Energy: 2.147894944080357
Energy: 1.9547077718790509
Energy: 1.9515420401593557
Energy: 2.466740675032305
Energy: 1.9515420401613595
Energy: 1.9551310335736103
Energy: 2.061495287607695
Energy: 2.366753942542666
Energy: 2.061495287609698
Energy: 1.9575572578699916
Energy: 1.9520314259666693
Energy: 2.491675337902097
Energy: 1.952031425964666
Energy: 2.0217617120826876
Energy: 1.9973622798582382
Energy: 2.337771161227606
Energy: 1.9973622798552328
Energy: 2.0271967654113374
Energy: 2.1146179511130714
Energy: 2.2884109863130733
Energy: 2.114617951114073
Energy: 2.022897146736922
Energy: 1.9948070294644458
Energy: 2.3430460618064597
Energy: 1.9948070294614406
Energy: 2.543009772962919
Energy: 1.9978504284839829
Energy: 2.3353158546856814
Energy: 1.9978504284829812
Energy: 2.4538282223379397
Energy: 2.3722262534666174
Energy: 2.398791284774985
Energy: 2.3722262534666174
Energy: 2.71407242861575
Energy: 2.177050632164897
Energy: 2.6127252367267664
Energy: 2.1770506321618917
Energy: 2.3478990521750314
Energy: 2.1208318583936707
Energy: 2.548123626585334
Energy: 2.120831858390665
Energy: 2.2878545109859796
Energy: 2.2883741709375496
Energy: 2.5481272759011695
Energy: 2.2883741709345444
Energy: 2.3632125903830015
Energy: 2.2102586771585306
Energy: 2.0257395179413957
Energy: 2.210258677157529
Energy: 2.284955507328614
Energy: 2.114969235675047
Energy: 2.0228943176271863
Energy: 2.1149692356760488
Energy: 2.284685818567366
Energy: 1.9951341511360083
Energy: 2.04076755818005
Energy: 1.9951341511350065
Energy: 2.478982980326384
Energy: 2.1721834473250303
Energy: 2.1882206169693927
Energy: 2.172183447328036
Energy: 2.4730181987821473
Energy: 1.9522291820711444
Energy: 1.9535754382512518
Energy: 1.9522291820731477
Energy: 2.4639657707495943
Energy: 2.0633285514801933
Energy: 1.9532706656081993
Energy: 2.063328551481195
Energy: 2.5200142326758774
Energy: 1.980342907120776
Energy: 1.955361898957908
Energy: 1.9803429071168146
Energy: 2.5085172851615694
Energy: 2.2973385875465393
Energy: 2.641571046118495
Energy: 2.297338587544536
Energy: 2.6326905355896404
Energy: 2.2081746815622503
Energy: 2.6421954128826104
Energy: 2.2081746815612484
Energy: 2.6135983718753737
Energy: 2.097021749957798
Energy: 2.283796197858761
Energy: 2.0970217499628063
Energy: 2.5528383617951245
Energy: 2.0499559287384175
Energy: 2.098793267169687
Energy: 2.0499559287354123
Energy: 2.552889691348872
Energy: 2.0483779974155025
Energy: 2.0750184409586567
Energy: 2.048377997417506
Energy: 2.380561816336841
Energy: 2.0406749160619007
Energy: 2.2594501940677425
Energy: 2.0406749160629025
Energy: 2.131293451003356
Energy: 2.0418741662774504
Energy: 2.1277543162952144
Energy: 2.0418741662744453
Energy: 2.131631979565512
Energy: 2.0442789494354696
Energy: 2.1369715110904597
Energy: 2.044278949440478
Energy: 2.3560950124245292
Energy: 2.1665851582935844
Energy: 2.3824989627164523
Energy: 2.1665851582975915
Energy: 2.0744877542330293
Energy: 2.049241295480868
Energy: 2.4568541780021853
Energy: 2.049241295475859
Energy: 2.098585123380629
Energy: 2.049274888446941
Energy: 2.456785856091056
Energy: 2.0492748884479424
Energy: 2.282926315327892
Energy: 2.097164338326001
Energy: 2.631301882501311
Energy: 2.097164338327002
Energy: 2.742483402605691
Energy: 2.6283481361216197
Energy: 2.763243711158666
Energy: 2.6283481361216197

minimum gb energy = 1.9515420401593557 eV
minimum distance =  2.43232464036436 Angstroms
sigma value = 1


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

Energy: 3.2230976846616533
Energy: 2.635115818500761
Energy: 2.339693554732707
Energy: 2.1757979402089607
Energy: 1.962186596680089
Energy: 1.9224926819811265
Energy: 2.1173268440451616
Energy: 1.9224926819811265
Energy: 1.9599977390489862
Energy: 1.921320396492418
Energy: 2.2941975169601636
Energy: 1.921320396492418
Energy: 1.961237789449353
Energy: 1.9364612043022664
Energy: 2.0355286298586126
Energy: 1.9364612043008813
Energy: 1.9613899395084542
Energy: 1.9219153299017826
Energy: 2.2433176784075872
Energy: 1.9219153299031673
Energy: 1.9638331356602163
Energy: 1.9219941069997692
Energy: 2.2415720626912767
Energy: 1.9219941070011541
Energy: 1.9650580045311152
Energy: 1.9383614575357546
Energy: 2.295243687372279
Energy: 1.9383614575357546
Energy: 1.9646247272871713
Energy: 1.9186975540370161
Energy: 2.2166987573231123
Energy: 1.9186975540384013
Energy: 1.9629891227984912
Energy: 1.921414703951598
Energy: 2.2156174445417136
Energy: 1.9214147039529834
Energy: 2.270400694194089
Energy: 2.586195810082658
Energy: 2.410857350360206
Energy: 2.586195810082658
Energy: 1.961258808067633
Energy: 1.9220444402159973
Energy: 2.3010498956992884
Energy: 1.9220444402159973
Energy: 1.9623622926507878
Energy: 1.9362539754159798
Energy: 2.502697134968805
Energy: 1.9362539754159798
Energy: 1.9629660402334186
Energy: 1.9361680853182826
Energy: 2.5027446205343473
Energy: 1.9361680853182826
Energy: 2.1177078304171166
Energy: 1.9970144608237725
Energy: 1.9629697792066936
Energy: 1.9970144608237725
Energy: 2.034949934221849
Energy: 1.9356745434698053
Energy: 1.9613474799721162
Energy: 1.9356745434698053
Energy: 2.0341206401730587
Energy: 1.921103152841055
Energy: 1.960845156619671
Energy: 1.92110315284244
Energy: 2.3787510305332518
Energy: 1.950794099871594
Energy: 1.9604801481378935
Energy: 1.9507940998702087
Energy: 2.295713606278833
Energy: 1.921576780434273
Energy: 1.960684456517333
Energy: 1.921576780434273
Energy: 2.2939976915416747
Energy: 2.0766969920266916
Energy: 1.9605401742638005
Energy: 2.0766969920266916
Energy: 2.210015448408324
Energy: 1.9220159214525845
Energy: 1.963832110062273
Energy: 1.9220159214525845
Energy: 2.2151916837741217
Energy: 2.215767420152782
Energy: 2.271062885405631
Energy: 2.215767420154167
Energy: 2.3022945012259886
Energy: 2.217018346267006
Energy: 2.2713627091501754
Energy: 2.2170183462794713
Energy: 2.300907890367913
Energy: 1.9967743715339474
Energy: 1.960116866140439
Energy: 1.9967743715367174
Energy: 2.503737691429473
Energy: 1.9365287065459433
Energy: 1.9610705445809857
Energy: 1.936528706543173

minimum gb energy = 1.9186975540370161 eV
minimum distance =  2.4710117330965 Angstroms
sigma value = 17


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

Energy: 3.0308044180135165
Energy: 2.789257820445391
Energy: 2.744504320865807
Energy: 2.6648659649175355
Energy: 1.9380689682856107
Energy: 1.9643883021830866
Energy: 2.482663808742815
Energy: 1.9643883021796622
Energy: 1.937709749190289
Energy: 1.9356172124064301
Energy: 2.4316994316634477
Energy: 1.9356172124089985
Energy: 1.9382723557910608
Energy: 1.9353293944497238
Energy: 2.415416225438152
Energy: 1.9353293944497238
Energy: 1.9375027755904208
Energy: 1.9356566935394741
Energy: 2.2879576274539377
Energy: 1.9356566935360497
Energy: 2.0921454523469016
Energy: 1.9838951799807745
Energy: 2.143874612611319
Energy: 1.9838951799816305
Energy: 2.093149665555522
Energy: 1.978550831092028
Energy: 2.0908980724959143
Energy: 1.9785508310954523
Energy: 2.1375551795277072
Energy: 1.9775350488345105
Energy: 2.1521344191667473
Energy: 1.977535048837935
Energy: 2.4312392468652986
Energy: 1.9357808624009865
Energy: 1.981513985713333
Energy: 1.9357808624001305
Energy: 2.3437887049113777
Energy: 1.9355743743366265
Energy: 1.9375015985464032
Energy: 1.9355743743323461
Energy: 2.4661493593381705
Energy: 1.9358727253381909
Energy: 1.937267059456118
Energy: 1.9358727253416153
Energy: 2.4241057760903
Energy: 1.964025494918182
Energy: 2.685941245532274
Energy: 1.964025494918182
Energy: 2.749715827627179
Energy: 2.422950192668131
Energy: 2.6231637158565504
Energy: 2.4229501926775474
Energy: 2.464064623159308
Energy: 2.1233562722951396
Energy: 1.936481127297736
Energy: 2.1233562722977077
Energy: 2.4108769448887792
Energy: 2.0597630441550105
Energy: 2.0860399611036473
Energy: 2.059763044159291
Energy: 2.575004639837889
Energy: 1.9357839182019811
Energy: 2.058347893340059
Energy: 1.9357839182019811
Energy: 2.0181111845971604
Energy: 1.9653287397334689
Energy: 2.330720578187629
Energy: 1.9653287397326127
Energy: 2.0252277080372982
Energy: 2.0152839876431097
Energy: 2.2034137921115065
Energy: 2.015283987643966
Energy: 2.019386668305627
Energy: 1.96745290369861
Energy: 2.212857495016456
Energy: 1.9674529036994661
Energy: 2.123135053763931
Energy: 2.2198634008802527
Energy: 2.39653506839851
Energy: 2.2198634008793965
Energy: 1.9919434004517025
Energy: 1.9472577669619084
Energy: 2.3469175698300626
Energy: 1.9472577669524913
Energy: 1.9667523127058282
Energy: 1.947193706828603
Energy: 2.3481720320706887
Energy: 1.9471937068243226
Energy: 1.96648623717726
Energy: 2.2389271662550687
Energy: 2.3787807621647286
Energy: 2.2389271662593493
Energy: 2.5521593747188303
Energy: 2.3422872284045506
Energy: 2.3448042962656626
Energy: 2.3422872284054064
Energy: 2.6277854172261486
Energy: 1.9519487389640244
Energy: 2.4064247281804074
Energy: 1.951948738968305
Energy: 2.186700149482949
Energy: 1.9477410039525442
Energy: 2.688651487950291
Energy: 1.9477410039542566
Energy: 2.3948661368007023
Energy: 2.373063325315461
Energy: 2.575540040981824
Energy: 2.373063325318029
Energy: 2.2973884531162576
Energy: 1.9473275319898529
Energy: 2.2102152565913347
Energy: 1.9473275319941334
Energy: 2.3521910615453123
Energy: 1.947873863485105
Energy: 1.966548149429167
Energy: 1.947873863487673
Energy: 2.2705055680609108
Energy: 1.9989294271055078
Energy: 1.9686205028610668
Energy: 1.9989294271055078
Energy: 2.3603289563179124
Energy: 1.9477801927123033
Energy: 1.969296444283049
Energy: 1.947780192708879
Energy: 2.2712264846243118
Energy: 1.987236546273721
Energy: 2.0229217226037557
Energy: 1.9872365462694406
Energy: 2.20338915200059
Energy: 2.0153910773457575
Energy: 2.02174004536933
Energy: 2.015391077335484
Energy: 2.2036115088447032
Energy: 1.9681655326903564
Energy: 2.0239139968653186
Energy: 1.9681655326920684
Energy: 2.097560488609567
Energy: 1.9356708837019265
Energy: 2.0207420071999747
Energy: 1.9356708837010708
Energy: 2.0880428516214913
Energy: 2.087998707760768
Energy: 2.555718528737714
Energy: 2.087998707760768
Energy: 1.9358885473387977
Energy: 1.9356078759526378
Energy: 2.643351422004168
Energy: 1.9356078759586304
Energy: 2.6729059563958466
Energy: 1.9675324800133942
Energy: 2.5431537606272623
Energy: 1.9675324800159626

minimum gb energy = 1.9353293944497238 eV
minimum distance =  2.44701049635174 Angstroms
sigma value = 89


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

Energy: 3.494911779670872
Energy: 2.265433936967312
Energy: 2.266952000964651
Energy: 1.896633337227544
Energy: 1.9110940639188752
Energy: 1.881055204064976
Energy: 1.9100890306024831
Energy: 1.881055204064976
Energy: 1.9104298014856296
Energy: 1.8801770939856086
Energy: 2.125091812148036
Energy: 1.8801770939856086
Energy: 1.9068385721724999
Energy: 1.8817778095387292
Energy: 2.124377250578258
Energy: 1.8817778095387292
Energy: 1.9121638853884313
Energy: 1.8819609400389419
Energy: 2.127082300913076
Energy: 1.8819609400389419
Energy: 2.0336884110804427
Energy: 1.8685803505466272
Energy: 2.0378676793136545
Energy: 1.8685803505466272
Energy: 2.037211519962906
Energy: 1.8716854367627953
Energy: 2.0372612619223505
Energy: 1.871685436760555
Energy: 2.1157960706322774
Energy: 1.8728265359508396
Energy: 2.194955848112303
Energy: 1.8728265359485998
Energy: 2.1271092442476567
Energy: 1.8805716655364526
Energy: 1.9110988564419078
Energy: 1.8805716655364526
Energy: 2.345691489764003
Energy: 1.882170867220508
Energy: 1.9115739181863678
Energy: 1.882170867220508
Energy: 2.344056140460456
Energy: 1.881273127654995
Energy: 1.910708458902307
Energy: 1.881273127654995
Energy: 2.3293251015614738
Energy: 1.8810068588400204
Energy: 2.3095624144281732
Energy: 1.8810068588377802
Energy: 2.2857430219184836
Energy: 1.91018181265367
Energy: 2.309857717420938
Energy: 1.91018181265591
Energy: 2.2867221605493735
Energy: 2.036882051789077
Energy: 1.9114450436505455
Energy: 2.036882051789077
Energy: 2.5191973725452215
Energy: 1.8815460284747718
Energy: 1.9105586974104172
Energy: 1.8815460284725323

minimum gb energy = 1.8685803505466272 eV
minimum distance =  2.46781542866864 Angstroms
sigma value = 13


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

Energy: 2.2298032851116822
Energy: 2.191083108523446
Energy: 2.1911004838585066
Energy: 1.8542547742145046
Energy: 1.8527902308142354
Energy: 1.833204997100357
Energy: 1.9716745307851336
Energy: 1.8332049970994184
Energy: 1.8487933754254822
Energy: 1.8325664043341003
Energy: 2.1587829701487995
Energy: 1.8325664043331613
Energy: 1.8485019656367316
Energy: 1.8326975880797307
Energy: 2.1582072621097734
Energy: 1.8326975880787917
Energy: 2.0582368628517647
Energy: 1.9930866592539298
Energy: 2.0058491768056523
Energy: 1.9930866592539298
Energy: 2.0612589526275458
Energy: 1.7800920887431013
Energy: 1.9026786883837397
Energy: 1.7800920887421623
Energy: 2.055055622883184
Energy: 1.7785588590437824
Energy: 1.9371061336345319
Energy: 1.7785588590447214
Energy: 2.1248999342033486
Energy: 1.777853524662098
Energy: 1.9088132740492818
Energy: 1.7778535246630367
Energy: 2.054519110247431
Energy: 1.7789188237360993
Energy: 1.9016799380777474
Energy: 1.7789188237351605
Energy: 2.0529442032129728
Energy: 1.7802031247091452
Energy: 1.9040352755881418
Energy: 1.780203124711023
Energy: 2.0595802588580376
Energy: 1.7837190687776585
Energy: 2.0046392152660446
Energy: 1.7837190687776585
Energy: 1.8473748454870482
Energy: 1.8326048926824356
Energy: 2.323674391362929
Energy: 1.8326048926824356
Energy: 1.8468398146649077
Energy: 1.833385096179007
Energy: 2.321656219631841
Energy: 1.833385096179007
Energy: 1.8476363541777532
Energy: 1.8461973037989086
Energy: 2.323971282865908
Energy: 1.8461973037998474
Energy: 2.465406727602666
Energy: 1.8332373044460857
Energy: 2.2343458323329535
Energy: 1.8332373044451469
Energy: 2.467031145798406
Energy: 1.8323973383658991
Energy: 2.2661119976962563
Energy: 1.8323973383658991
Energy: 1.8483840262236682
Energy: 1.8342596367232935
Energy: 2.2222020568928387
Energy: 1.8342596367232935
Energy: 1.8469787136479623
Energy: 1.8327291280157245
Energy: 2.1505124044600583
Energy: 1.832729128013847
Energy: 1.8566830526893359
Energy: 1.83265359770369
Energy: 2.2054909792313886
Energy: 1.8326535977046288
Energy: 2.065624754477881
Energy: 1.833462196964598
Energy: 1.850624365601056
Energy: 1.8334621969655367
Energy: 2.233432496861668
Energy: 1.8475458173871129
Energy: 1.8537797527262885
Energy: 1.8475458173880517
Energy: 2.0101805989818846
Energy: 1.8334932218409752
Energy: 1.8486369787348458
Energy: 1.8334932218409752
Energy: 1.904255750886726
Energy: 1.7777411669530254
Energy: 2.0547883310036354
Energy: 1.7777411669511478
Energy: 1.9008917170752482
Energy: 1.777626243576101
Energy: 1.937833650793207
Energy: 1.777626243575162
Energy: 1.9048916334608106
Energy: 1.7789041967755104
Energy: 2.0563202768503688
Energy: 1.7789041967726935
Energy: 1.9037722318190144
Energy: 1.7849048627054875
Energy: 2.1242671188348146
Energy: 1.7849048627045487
Energy: 1.8996946383991884
Energy: 1.7848965339708265
Energy: 2.0539859560843867
Energy: 1.7848965339689489
Energy: 2.004026614999785
Energy: 1.7783238586653558
Energy: 2.0569661795158667
Energy: 1.7783238586625392
Energy: 2.006153089313973
Energy: 1.8332906016545973
Energy: 1.8504057629019106
Energy: 1.8332906016545973
Energy: 2.0492392436337648
Energy: 1.8327395322704019
Energy: 1.8492740475366036
Energy: 1.8327395322694628
Energy: 2.323889766294278
Energy: 1.8334870490862625
Energy: 1.8479277909316054
Energy: 1.8334870490872013
Energy: 2.228656272097784
Energy: 1.8323305897122082
Energy: 2.4660085693139506
Energy: 1.8323305897131468
Energy: 2.2672010644454343
Energy: 1.8562745304665715
Energy: 2.4650688003229564
Energy: 1.8562745304675103
Energy: 2.2207589498958806
Energy: 1.8474918682438668
Energy: 1.849937623850137
Energy: 1.8474918682457018
Energy: 2.4770856606907756
Energy: 1.8338001719949168
Energy: 1.8462747899996428
Energy: 1.8338001719939778

minimum gb energy = 1.777626243575162 eV
minimum distance =  2.47942731104022 Angstroms
sigma value = 37


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

Energy: 2.2636156093121382
Energy: 2.0860640652226397
Energy: 2.082061549006775
Energy: 1.793216834294937
Energy: 1.7767999621737842
Energy: 1.7704219080664592
Energy: 1.7896593346229148
Energy: 1.770421908068074
Energy: 1.7778937621877369
Energy: 1.7697061489876615
Energy: 2.1267480141205124
Energy: 1.7697061489892767
Energy: 1.7779551688971253
Energy: 1.7702132394134653
Energy: 2.127240858021039
Energy: 1.7702132394134653
Energy: 1.9768042227573837
Energy: 1.8104441335694559
Energy: 1.9121586447898782
Energy: 1.8104441335678407
Energy: 1.9285834197238112
Energy: 1.6950109317559385
Energy: 1.8001786921234502
Energy: 1.6950109317543232
Energy: 1.9308303158782005
Energy: 1.6949642427127183
Energy: 1.7994110168599213
Energy: 1.6949642427127183
Energy: 2.0215414996189884
Energy: 1.692290068663304
Energy: 1.870759949621059
Energy: 1.6922900686649192
Energy: 1.8807289589875076
Energy: 1.6328459791392629
Energy: 1.8809217093917612
Energy: 1.6328459791392629
Energy: 1.8818999691923224
Energy: 1.632863030060837
Energy: 1.8829819599668653
Energy: 1.6328630300624525
Energy: 2.013652404167168
Energy: 1.8530150201526725
Energy: 2.0093775306068604
Energy: 1.8530150201542877
Energy: 1.8009573030874926
Energy: 1.692843340480001
Energy: 2.047661007856421
Energy: 1.6928433404783858
Energy: 1.7992231445213411
Energy: 1.6932151169352494
Energy: 2.0456032239213995
Energy: 1.6932151169336342
Energy: 1.9128354961900322
Energy: 1.7780286182293858
Energy: 2.051041806614034
Energy: 1.7780286182293858
Energy: 2.0259336297683967
Energy: 1.7699608020787947
Energy: 1.7772736482752232
Energy: 1.7699608020787947
Energy: 2.2832087353247523
Energy: 1.7699823225940374
Energy: 1.7775430832109167
Energy: 1.7699823225940374
Energy: 2.018326500674156
Energy: 1.8093198675157822
Energy: 1.7763743891989787
Energy: 1.8093198675157822
Energy: 2.082066476224284
Energy: 2.1289036166179542
Energy: 2.4012362939604
Energy: 2.128903616616339
Energy: 1.7779241299916646
Energy: 1.7700473860637607
Energy: 2.0063692598948593
Energy: 1.7700473860621455
Energy: 1.7693911937112643
Energy: 1.7706756757065258
Energy: 1.776981403576943
Energy: 1.7706756757065258

minimum gb energy = 1.6328459791392629 eV
minimum distance =  2.48276329818073 Angstroms
sigma value = 25


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

Energy: 2.248142063152205
Energy: 2.0595113166446217
Energy: 1.9933523420866408
Energy: 1.9894194257682933
Energy: 1.6604264109946563
Energy: 1.6660238476252076
Energy: 1.6674369092214534
Energy: 1.6660238476239464
Energy: 1.6597385611337554
Energy: 1.6621423503021804
Energy: 1.9376980959372947
Energy: 1.6621423503021804
Energy: 1.6617807563908746
Energy: 1.661616629351566
Energy: 1.9106200445087858
Energy: 1.661616629351566
Energy: 1.7731393131360842
Energy: 1.6617933119110653
Energy: 1.7468660347576872
Energy: 1.6617933119110653
Energy: 1.9143373387802562
Energy: 1.5842670575957578
Energy: 1.6532591866977253
Energy: 1.5842670575957578
Energy: 1.9154989273554726
Energy: 1.5849577763930547
Energy: 1.6565895895962517
Energy: 1.5849577763930547
Energy: 1.820413799955891
Energy: 1.7354836909200406
Energy: 1.8179932795485878
Energy: 1.7354836909187792
Energy: 1.6772522100389522
Energy: 1.4926584322122929
Energy: 1.85524083304666
Energy: 1.4926584322122929
Energy: 1.6823870629486075
Energy: 1.4932166573999066
Energy: 1.8493281596440592
Energy: 1.4932166573999066
Energy: 1.743065063587827
Energy: 1.6776083456029718
Energy: 1.8427462655587248
Energy: 1.6776083456029718
Energy: 1.7440185308961078
Energy: 1.462649795916414
Energy: 1.7420313854320197
Energy: 1.462649795916414
Energy: 1.7431864594713298
Energy: 1.4628023791661235
Energy: 1.7436485567746334
Energy: 1.4628023791686462
Energy: 1.839589942187483
Energy: 1.4957210293461898
Energy: 1.7014987516104731
Energy: 1.4957210293461898
Energy: 1.855503342465832
Energy: 1.4947111493793186
Energy: 1.6808936187309238
Energy: 1.49471114938058
Energy: 1.8549928730254444
Energy: 1.4936610781943493
Energy: 1.676741243517542
Energy: 1.4936610781943493
Energy: 1.708062200704825
Energy: 1.5841742239617398
Energy: 1.8209085708960266
Energy: 1.5841742239630012
Energy: 1.6784351736275267
Energy: 1.5841934472788213
Energy: 1.8520401346436952
Energy: 1.5841934472800827
Energy: 1.651431919581891
Energy: 1.5845773945847224
Energy: 1.9967999286752647
Energy: 1.5845773945821997
Energy: 1.7464020395956463
Energy: 1.6661201999135073
Energy: 1.698223807488306
Energy: 1.6661201999160302
Energy: 2.1486044434290634
Energy: 1.8225006773493142
Energy: 1.7550141419609344
Energy: 1.8225006773493142
Energy: 1.7474491453512238
Energy: 1.665914563143881
Energy: 1.6608066378967354
Energy: 1.665914563143881
Energy: 1.6670939728880467
Energy: 1.661819421118963
Energy: 2.110373516152975
Energy: 1.6618194211164403
Energy: 1.9459902847764345
Energy: 1.6649558689941857
Energy: 2.077253824275071
Energy: 1.6649558689941857
Energy: 1.6609399344588582
Energy: 1.6666850777500397
Energy: 1.6607084757326704
Energy: 1.6666850777500397
Energy: 2.05928743109094
Energy: 1.747722158251826
Energy: 1.6609672541223732
Energy: 1.7477221582493034

minimum gb energy = 1.462649795916414 eV
minimum distance =  2.46905783959855 Angstroms
sigma value = 41


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

Energy: 2.3460057537460592
Energy: 1.8834845655132908
Energy: 1.8263152023051004
Energy: 1.8335814049034587
Energy: 1.5576928134021522
Energy: 1.5619760723089664
Energy: 1.5580271616160346
Energy: 1.5619760723006937
Energy: 1.5556356675179566
Energy: 1.558533743633065
Energy: 1.6101641977794097
Energy: 1.5585337436340994
Energy: 1.672100437419114
Energy: 1.6351901898709607
Energy: 1.8706207644525568
Energy: 1.635190189875097
Energy: 1.6478633270923169
Energy: 1.5508254475460332
Energy: 1.5425538357104458
Energy: 1.5508254475460332
Energy: 1.8718606141304541
Energy: 1.4914978443714841
Energy: 1.5435115356925693
Energy: 1.491497844368382
Energy: 1.8724609967628725
Energy: 1.4910309869066827
Energy: 1.5667404816085688
Energy: 1.4910309869097849
Energy: 1.676657217475853
Energy: 1.6602946696562513
Energy: 1.5982699916239023
Energy: 1.6602946696531493
Energy: 1.5446613305792984
Energy: 1.4023184245080431
Energy: 1.764941607273735
Energy: 1.4023184245080431
Energy: 1.5445649401045554
Energy: 1.4012631512951983
Energy: 1.7648489941265357
Energy: 1.401263151290028
Energy: 1.6891614427081458
Energy: 1.3501932534634236
Energy: 1.6762929942842442
Energy: 1.3501932534654921
Energy: 1.721235045983129
Energy: 1.350751666083539
Energy: 1.576366156267396
Energy: 1.3507516660856071
Energy: 1.6994574205472674
Energy: 1.3514064149396776
Energy: 1.5772230197608652
Energy: 1.3514064149386436
Energy: 1.702474612830637
Energy: 1.3328838441550197
Energy: 1.6339497992691212
Energy: 1.3328838441550197
Energy: 1.6372787391160055
Energy: 1.3319241513211253
Energy: 1.638065340028317
Energy: 1.3319241513221591
Energy: 1.6402899724247921
Energy: 1.3323862719809998
Energy: 1.6671383475982697
Energy: 1.3323862719851363
Energy: 1.59207501272766
Energy: 1.3511312977236816
Energy: 1.7022151041930744
Energy: 1.3511312977257497
Energy: 1.5764219240935229
Energy: 1.3500649042593387
Energy: 1.7212852034055337
Energy: 1.3500649042603727
Energy: 1.6252023307594416
Energy: 1.3501826182132115
Energy: 1.722750157589926
Energy: 1.3501826182111434
Energy: 1.67659365295599
Energy: 1.4013959013930468
Energy: 1.5697990018860264
Energy: 1.4013959013899446
Energy: 1.8203809478345012
Energy: 1.4041088979379273
Energy: 1.545838938547775
Energy: 1.4041088979410292
Energy: 1.833857781803391
Energy: 1.4051734892022054
Energy: 1.6058120337592126
Energy: 1.4051734892022054
Energy: 1.5955614660267627
Energy: 1.4934902943379218
Energy: 1.6066178212621667
Energy: 1.49349029433999
Energy: 1.5412465100595656
Energy: 1.4914576490497355
Energy: 1.8161556445540408
Energy: 1.491457649054906
Energy: 1.6207651428933245
Energy: 1.4938299707951896
Energy: 1.762485366011966
Energy: 1.4938299707941554
Energy: 1.8912218708141217
Energy: 1.6263067034524408
Energy: 1.6593398665190247
Energy: 1.6263067034576109
Energy: 1.8637318192111205
Energy: 1.6254253017664264
Energy: 1.6341139014306998
Energy: 1.6254253017643583
Energy: 1.6208130318753726
Energy: 1.6198832178084135
Energy: 1.5551943117572733
Energy: 1.6198832178073792
Energy: 1.633805853958147
Energy: 1.5556111644619879
Energy: 2.005617452063255
Energy: 1.5556111644619879
Energy: 1.5605961034050344
Energy: 1.5578906468751115
Energy: 2.0057937174746696
Energy: 1.5578906468782137
Energy: 1.5577326305824863
Energy: 1.5646202291231694
Energy: 1.556182539478669
Energy: 1.5646202291283395
Energy: 1.8913527101429974
Energy: 1.6350577594028877
Energy: 1.6352439328746864
Energy: 1.6350577594028877

minimum gb energy = 1.3319241513211253 eV
minimum distance =  2.48648782913057 Angstroms
sigma value = 15


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

Energy: 2.1134541067320023
Energy: 1.7933448566071242
Energy: 1.744097819030887
Energy: 1.705644858446551
Energy: 1.4711104781075235
Energy: 1.4689096997064377
Energy: 1.470238875440339
Energy: 1.4689096997038098
Energy: 1.4639887939557312
Energy: 1.4663534387011048
Energy: 1.5090158729566552
Energy: 1.4663534387019808
Energy: 1.5753086659197217
Energy: 1.5348316065257541
Energy: 1.7082516532097234
Energy: 1.5348316065292582
Energy: 1.5466041858061035
Energy: 1.4116594393104451
Energy: 1.4526396623132463
Energy: 1.4116594393139492
Energy: 1.7045251759132702
Energy: 1.4113998652940623
Energy: 1.452873774581151
Energy: 1.4113998652958144
Energy: 1.7327145611476544
Energy: 1.4110146257824119
Energy: 1.5039616706709438
Energy: 1.4110146257806595
Energy: 1.5657519825543142
Energy: 1.4679392139641572
Energy: 1.4966858854685086
Energy: 1.4679392139956136
Energy: 1.4452334265891127
Energy: 1.327829591977659
Energy: 1.7373141982009963
Energy: 1.3278295919837908
Energy: 1.4842464985841253
Energy: 1.3276418397998162
Energy: 1.7368505561567564
Energy: 1.3276418398015681
Energy: 1.612979256209517
Energy: 1.2728190918137041
Energy: 1.5562573502383181
Energy: 1.27281909181458
Energy: 1.6542510224239397
Energy: 1.2718559066654052
Energy: 1.4603929065166192
Energy: 1.271855906664529
Energy: 1.623411795303369
Energy: 1.2719166808081395
Energy: 1.4950516757757735
Energy: 1.2719166808133955
Energy: 1.57270002664477
Energy: 1.2447194058946356
Energy: 1.5824526834733104
Energy: 1.2447194058911313
Energy: 1.4985121619665362
Energy: 1.2393595759564309
Energy: 1.6199205239351013
Energy: 1.239359575955555
Energy: 1.4977442767600495
Energy: 1.242416203504422
Energy: 1.600586662808157
Energy: 1.242416203504422
Energy: 1.5528198061717136
Energy: 1.2284908697999106
Energy: 1.5934382162027638
Energy: 1.228490869798159
Energy: 1.552066450278438
Energy: 1.2279783869833543
Energy: 1.5517712367524463
Energy: 1.2279783869780982
Energy: 1.5691873913437597
Energy: 1.2275130804471734
Energy: 1.5512367872752715
Energy: 1.2275130804427934
Energy: 1.5959875363994327
Energy: 1.2437256649331883
Energy: 1.507927105036257
Energy: 1.2437256649314363
Energy: 1.620107652719686
Energy: 1.2428042507076833
Energy: 1.4983496111943322
Energy: 1.2428042507076833
Energy: 1.6181222312335322
Energy: 1.2435010856261974
Energy: 1.576145911597638
Energy: 1.2435010856148094
Energy: 1.476202587744782
Energy: 1.2734341109983558
Energy: 1.5703970258917535
Energy: 1.273434110990472
Energy: 1.4610912473788598
Energy: 1.273095787678282
Energy: 1.6966846439415049
Energy: 1.273095787679158
Energy: 1.5571367065438146
Energy: 1.2709006040860595
Energy: 1.7093174427535445
Energy: 1.2709006040843076
Energy: 1.5575541347701436
Energy: 1.3288257496542066
Energy: 1.4650475758787165
Energy: 1.3288257496507025
Energy: 1.6960581015303626
Energy: 1.3286189684598948
Energy: 1.4450180115842088
Energy: 1.3286189684642746
Energy: 1.4960653525139274
Energy: 1.3298856290646497
Energy: 1.5016984007340928
Energy: 1.3298856290655257
Energy: 1.5019200244153854
Energy: 1.4117137245330806
Energy: 1.7317498902109392
Energy: 1.4117137245295768
Energy: 1.4537369749141424
Energy: 1.411533357925786
Energy: 1.7309356838922918
Energy: 1.4115333579231581
Energy: 1.4556053516628609
Energy: 1.5427873684169608
Energy: 1.4910807138670599
Energy: 1.5427873684152087
Energy: 1.8380819847266856
Energy: 1.5348487912753266
Energy: 1.5658066237594597
Energy: 1.5348487912753266
Energy: 1.5776670879256776
Energy: 1.5268217936998019
Energy: 1.4688591391059624
Energy: 1.5268217936998019
Energy: 1.449438218230636
Energy: 1.4151632882863963
Energy: 1.5383557073399639
Energy: 1.4151632882916525
Energy: 1.7489552258363004
Energy: 1.7438247236685163
Energy: 1.6393981881782362
Energy: 1.7438247236650124
Energy: 1.470526217277809
Energy: 1.4669296910372673
Energy: 1.525939502861399
Energy: 1.4669296910320115
Energy: 1.509049796206463
Energy: 1.4698429104439736
Energy: 1.467743042063228
Energy: 1.4698429104413457

minimum gb energy = 1.2275130804427934 eV
minimum distance =  2.46367488083411 Angstroms
sigma value = 85


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

Energy: 2.12363155320459
Energy: 1.610838476276032
Energy: 1.6122015140139851
Energy: 1.4868173749300448
Energy: 1.3521271491176512
Energy: 1.357111585423871
Energy: 1.3576496237327056
Energy: 1.3571115854253906
Energy: 1.3521749980651443
Energy: 1.3559276538719576
Energy: 1.455985458804923
Energy: 1.3559276538727172
Energy: 1.459268025275359
Energy: 1.421172891070203
Energy: 1.3649711588163584
Energy: 1.4211728910694432
Energy: 1.3777964168524601
Energy: 1.3106679541188018
Energy: 1.3438358841766918
Energy: 1.3106679541195614
Energy: 1.3660302132539086
Energy: 1.3117368243601806
Energy: 1.3434503935667506
Energy: 1.3117368243579013
Energy: 1.365022164027057
Energy: 1.3114320894672975
Energy: 1.3979048562819838
Energy: 1.3114320894672975
Energy: 1.3901554471414277
Energy: 1.358715961502579
Energy: 1.38867369558951
Energy: 1.3587159616339828
Energy: 1.3374116222307184
Energy: 1.2388565206906197
Energy: 1.3665177696843336
Energy: 1.2388565206883404
Energy: 1.378534065093385
Energy: 1.2379823164240293
Energy: 1.3745887271510686
Energy: 1.2379823164263086
Energy: 1.3740224270066093
Energy: 1.1850966018218771
Energy: 1.4364931066374353
Energy: 1.185096601822637
Energy: 1.6081763420241622
Energy: 1.1847904285772184
Energy: 1.3480257983681627
Energy: 1.1847904285772184
Energy: 1.4451449092775916
Energy: 1.1847169818145182
Energy: 1.3820723474410606
Energy: 1.1847169818129988
Energy: 1.4446203368321475
Energy: 1.1496864524923838
Energy: 1.4923759748189989
Energy: 1.1496864524901045
Energy: 1.374641336993133
Energy: 1.1493066198515862
Energy: 1.5436330811625707
Energy: 1.1493066198508264
Energy: 1.3982684796669083
Energy: 1.1499198503773251
Energy: 1.468268313771236
Energy: 1.1499198503758057
Energy: 1.4884242876718476
Energy: 1.1288537038771014
Energy: 1.4658418507972517
Energy: 1.1288537038740625
Energy: 1.5158676333874475
Energy: 1.129372058703091
Energy: 1.4129757644573666
Energy: 1.129372058703091
Energy: 1.4817263621394576
Energy: 1.1290736172100375
Energy: 1.4254004800085922
Energy: 1.1290736172123168
Energy: 1.4620645643842387
Energy: 1.1234157787949333
Energy: 1.462604918551006
Energy: 1.1234157787949333
Energy: 1.4605517888826534
Energy: 1.1243413694046447
Energy: 1.4609003896464285
Energy: 1.1243413694031252
Energy: 1.4360320743278863
Energy: 1.1225606056119815
Energy: 1.4833333341248989
Energy: 1.1225606056097022
Energy: 1.4217200493477342
Energy: 1.1292194918082714
Energy: 1.5163611933026397
Energy: 1.1292194918082714
Energy: 1.4131221468146309
Energy: 1.1296737894986666
Energy: 1.5161477446813167
Energy: 1.1296737894994262
Energy: 1.4674439165853665
Energy: 1.130467173081988
Energy: 1.39555925928698
Energy: 1.1304671730812281
Energy: 1.577938215842331
Energy: 1.1490485107577433
Energy: 1.3907992506974622
Energy: 1.1490485107585031
Energy: 1.5777457745371581
Energy: 1.1496110748574282
Energy: 1.374413023618444
Energy: 1.1496110748566684
Energy: 1.3758342106815373
Energy: 1.4106447765663732
Energy: 1.4449177369260282
Energy: 1.410644776580049
Energy: 1.3668414508702598
Energy: 1.1844491464208127
Energy: 1.4934635682996145
Energy: 1.1844491464230575
Energy: 1.347978574053146
Energy: 1.1845933169160594
Energy: 1.4937384673880232
Energy: 1.1845933169160594
Energy: 1.4365499533718138
Energy: 1.2384060552959681
Energy: 1.3741351544183944
Energy: 1.2384060552952083
Energy: 1.4874117680045356
Energy: 1.2382455714919511
Energy: 1.358881139886627
Energy: 1.2382455714927108
Energy: 1.475268191743966
Energy: 1.2394155723568265
Energy: 1.3376626370161047
Energy: 1.2394155723575861
Energy: 1.3938257211420884
Energy: 1.3124843486931033
Energy: 1.3900449290407697
Energy: 1.3124843486923434
Energy: 1.385262450247125
Energy: 1.3123013321656203
Energy: 1.6380996625861515
Energy: 1.3123013321641008
Energy: 1.3440224897351831
Energy: 1.3125836827122945
Energy: 1.4277402294661494
Energy: 1.3125836827122945
Energy: 1.3363578093540838
Energy: 1.3570362029574714
Energy: 1.3854777886142717
Energy: 1.3570362029597507
Energy: 1.4681852902070924
Energy: 1.4633443536961548
Energy: 1.4199300345208419
Energy: 1.4633443536969144
Energy: 1.3439548490371858
Energy: 1.3565183637771183
Energy: 1.35210939795378
Energy: 1.356518363778638
Energy: 1.3477229078874389
Energy: 1.355437828295467
Energy: 1.3378653819296942
Energy: 1.355437828296227
Energy: 1.4186110967864922
Energy: 1.421124991385019
Energy: 1.469275569190373
Energy: 1.421124991385019
Energy: 1.3523700644198071
Energy: 1.3511733365172756
Energy: 1.4191390842415157
Energy: 1.3511733365180354
Energy: 1.5711451294154066
Energy: 1.4133706632288323
Energy: 1.4189052612506625
Energy: 1.413370663230352

minimum gb energy = 1.1225606056097022 eV
minimum distance =  2.4991076130159 Angstroms
sigma value = 113


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

Energy: 0.019568629099388446
Energy: 0.11660400372081986
Energy: 1.5414968336498418
Energy: 0.02036343477816613
Energy: 0.26323946994032843
Energy: 0.11583995657340178
Energy: 0.26313066221603476
Energy: 0.11583995657285016
Energy: 0.26297002312406687
Energy: 0.1162641693489406
Energy: 0.019658740453553196
Energy: 0.11626416934838898
Energy: 0.2631688747212375
Energy: 0.11785223850893735
Energy: 0.019849296038202697
Energy: 0.11785223850838575
Energy: 0.2631095318023579
Energy: 0.11579509567880009
Energy: 0.2646269805142688
Energy: 0.11579509567880009
Energy: 0.020179074516634483
Energy: 0.11572829172663632
Energy: 0.26298947376318077
Energy: 0.11572829172663632

minimum gb energy = 0.019568629099388446 eV
minimum distance =  2.69976326574478 Angstroms
sigma value = 1