Model name: model_name=SNAP_LiChenZheng_2019_NbTaWMo__MO_560387080449_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=3.166686400771141
cohesive_energy=6.879122063701007
mass=95.95
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: 6.87704751902673 eV

========================================
theta = 0.0
========================================

Energy: 0.017292024515974485
Energy: 0.017292109310272148
Energy: 3.887950953892123
Energy: 0.017292109310272148
Energy: 0.017292109310272148
Energy: 0.017292098910703747
Energy: 1.3983188736306802
Energy: 0.017292098910703747
Energy: 3.887950953892123
Energy: 1.3983188736306802
Energy: 1.3983201405194856
Energy: 1.3983188736306802
Energy: 0.017292109310272148
Energy: 0.017292098910703747
Energy: 1.3983188736306802
Energy: 0.017292098910703747

minimum gb energy = 0.017292024515974485 eV
minimum distance =  2.74242503001868 Angstroms
sigma value = 1


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

Energy: 2.264096492644875
Energy: 1.8872946405453415
Energy: 2.2248478324733996
Energy: 1.8872946405453415
Energy: 1.7709558901405094
Energy: 1.773581023163684
Energy: 1.6435733384676048
Energy: 1.773581023163684
Energy: 1.7211612455833174
Energy: 1.6435832482072559
Energy: 1.6029585039743788
Energy: 1.6435832482072559
Energy: 2.2160307044299175
Energy: 1.8011441242217867
Energy: 1.6435912695671733
Energy: 1.8011441242217867
Energy: 2.216019898031703
Energy: 1.801118262505746
Energy: 2.273970768126116
Energy: 1.801118262505746
Energy: 1.7436212133823588
Energy: 1.7055773905887792
Energy: 1.5944062674430943
Energy: 1.7055773905887792
Energy: 1.880002789432811
Energy: 1.78865242383544
Energy: 1.5944026991269453
Energy: 1.78865242383544
Energy: 1.605489544135011
Energy: 1.731651766713472
Energy: 2.2740174599740794
Energy: 1.731651766713472
Energy: 1.879994638017934
Energy: 1.798460427988861
Energy: 2.21468614764416
Energy: 1.798460427988861
Energy: 1.6364359824138788
Energy: 1.7886616279651881
Energy: 1.881641212272868
Energy: 1.7886616279651881
Energy: 1.6069438835588934
Energy: 1.8012294521093553
Energy: 1.731804484318196
Energy: 1.8012294521093553
Energy: 1.606940768968759
Energy: 1.6069432170495368
Energy: 1.8017430325951986
Energy: 1.6069432170495368
Energy: 1.9479579803768745
Energy: 1.7987166009898654
Energy: 2.2386178029291575
Energy: 1.7987166009898654
Energy: 1.636468684561941
Energy: 1.7987134690398143
Energy: 2.2250620313257574
Energy: 1.7987134690398143
Energy: 1.6364356829903288
Energy: 1.7643494975523435
Energy: 1.7398879543043757
Energy: 1.7643494975523435
Energy: 1.6364373965240144
Energy: 1.7643486415935723
Energy: 1.7520022807887738
Energy: 1.7643486415935723
Energy: 1.636438553926751
Energy: 1.798712734076554
Energy: 2.225060347177196
Energy: 1.798712734076554
Energy: 1.9479558937319592
Energy: 1.7987123170551012
Energy: 2.238386013241608
Energy: 1.7987123170551012
Energy: 1.6069467838447533
Energy: 1.606952610911132
Energy: 1.843851877715095
Energy: 1.606952610911132
Energy: 1.60694669633846
Energy: 1.798729320149054
Energy: 1.881663805322237
Energy: 1.798729320149054
Energy: 2.5749250197711406
Energy: 1.7886704978503951
Energy: 1.8816400781673803
Energy: 1.7886704978503951
Energy: 1.8800034936336631
Energy: 1.7163561237526024
Energy: 2.214690193286777
Energy: 1.7163561237526024
Energy: 1.737060185862448
Energy: 1.7316460909947924
Energy: 1.9020318343560685
Energy: 1.7316460909947924
Energy: 2.2327801891991137
Energy: 1.7886539708076856
Energy: 1.5944015277470758
Energy: 1.7886539708076856
Energy: 1.7436234153233214
Energy: 1.705577906119022
Energy: 1.5944084898593303
Energy: 1.705577906119022
Energy: 2.209107303474445
Energy: 1.803302914625411
Energy: 1.64357143572823
Energy: 1.803302914625411
Energy: 1.7465587956819915
Energy: 1.798738370389577
Energy: 1.6194855365529996
Energy: 1.798738370389577
Energy: 1.606942082556629
Energy: 1.6435858172914757
Energy: 1.6029466502555705
Energy: 1.6435858172914757
Energy: 2.533308437640155
Energy: 1.773584049485572
Energy: 1.6435767712988303
Energy: 1.773584049485572
Energy: 2.2640668049679626
Energy: 1.8316301522630245
Energy: 1.6435720680477863
Energy: 1.8316301522630245
Energy: 1.7830977428217893
Energy: 1.7735792887742439
Energy: 1.643576157605583
Energy: 1.7735792887742439
Energy: 1.7316466084908835
Energy: 1.7489195055713296
Energy: 1.6029465879480294
Energy: 1.7489195055713296
Energy: 2.2160400935541555
Energy: 1.8011279880782871
Energy: 1.643572691321728
Energy: 1.8011279880782871

minimum gb energy = 1.5944015277470758 eV
minimum distance =  2.45871344729858 Angstroms
sigma value = 1


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

Energy: 2.393874017012808
Energy: 1.9299713374012308
Energy: 1.7342657473812102
Energy: 1.9299713374012308
Energy: 2.370746577968936
Energy: 1.8842036641595465
Energy: 1.818025086402805
Energy: 1.8842036641595465
Energy: 2.38544003887817
Energy: 1.6955744192073638
Energy: 1.6955602339475793
Energy: 1.6955744192073638
Energy: 1.6745367420443351
Energy: 1.893968668363843
Energy: 1.8180568966676063
Energy: 1.893968668363843
Energy: 1.6745411084514588
Energy: 1.8939698960604867
Energy: 2.5351892710869035
Energy: 1.8939698960604867
Energy: 2.3854253904269753
Energy: 1.6761637560261287
Energy: 1.6761601363541598
Energy: 1.6761637560261287
Energy: 1.6761727273022928
Energy: 1.8842011265841527
Energy: 1.676165050892639
Energy: 1.8842011265841527
Energy: 1.6761665813457831
Energy: 1.6761718941122306
Energy: 2.535164343817097
Energy: 1.6761718941122306
Energy: 1.676169267170529
Energy: 1.7958369097442624
Energy: 2.385424963644329
Energy: 1.7958369097442624
Energy: 1.8180242437769576
Energy: 1.674539667607526
Energy: 1.6745562854224765
Energy: 1.674539667607526
Energy: 1.695566174538601
Energy: 1.8939725250018273
Energy: 2.3854353519840776
Energy: 1.8939725250018273
Energy: 1.6761759039671185
Energy: 1.8009238988286536
Energy: 3.085551430052436
Energy: 1.8009238988286536
Energy: 1.8180249709006313
Energy: 1.8841927524708715
Energy: 2.3707497437360856
Energy: 1.8841927524708715
Energy: 1.8180249709006313
Energy: 1.8841925827684831
Energy: 2.3707545811695936
Energy: 1.8841925827684831
Energy: 1.6761746766839962
Energy: 1.80092360406069
Energy: 3.085545695493499
Energy: 1.80092360406069
Energy: 1.6955665923825713
Energy: 1.893972781807585
Energy: 2.385435671649706
Energy: 1.893972781807585
Energy: 1.8180242437769576
Energy: 1.6745376105394094
Energy: 1.6745538845525565
Energy: 1.6745376105394094
Energy: 1.6761698915945564
Energy: 1.7958382192072817
Energy: 2.3854247467518666
Energy: 1.7958382192072817
Energy: 1.676166681372463
Energy: 1.676172540709991
Energy: 2.535164343817097
Energy: 1.676172540709991
Energy: 1.6761750687762358
Energy: 1.8842015966727794
Energy: 1.6761649884711562
Energy: 1.8842015966727794
Energy: 2.38542566655497
Energy: 1.6761632848088839
Energy: 1.6761597723782617
Energy: 1.6761632848088839
Energy: 1.6745398737616284
Energy: 1.8939697925089312
Energy: 2.5351892953541384
Energy: 1.8939697925089312
Energy: 1.6745352613288758
Energy: 1.8939688562124306
Energy: 1.8180568966676063
Energy: 1.8939688562124306
Energy: 2.3854379681648137
Energy: 1.6955759033990463
Energy: 1.6955602122437778
Energy: 1.6955759033990463
Energy: 2.370744270557282
Energy: 1.8842036306486196
Energy: 1.818025086402805
Energy: 1.8842036306486196
Energy: 2.393874017012808
Energy: 1.9299713374012308
Energy: 1.7342654575536718
Energy: 1.9299713374012308
Energy: 2.370746577968936
Energy: 1.8842036641595465
Energy: 1.818025086402805
Energy: 1.8842036641595465
Energy: 2.3854400388793007
Energy: 1.6955744192073638
Energy: 1.6955602339475793
Energy: 1.6955744192073638
Energy: 1.6745367420443351
Energy: 1.893968668363843
Energy: 1.8180568966676063
Energy: 1.893968668363843

minimum gb energy = 1.6745352613288758 eV
minimum distance =  2.46169367583405 Angstroms
sigma value = 25


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

Energy: 2.2770549531917936
Energy: 2.084632443747608
Energy: 2.5130920745856367
Energy: 2.084632443747608
Energy: 2.6321865213678945
Energy: 1.9168098462548677
Energy: 1.910311305476786
Energy: 1.9168098462535539
Energy: 2.6479695900045352
Energy: 1.8154876096641739
Energy: 1.8154965074288676
Energy: 1.8154876096641739
Energy: 2.2131938996667384
Energy: 1.9714906210924936
Energy: 1.9103418086419244
Energy: 1.9714906210924936
Energy: 2.213185440072667
Energy: 1.9714991947798701
Energy: 2.2457280401018327
Energy: 1.9714991947798701
Energy: 2.647935529740279
Energy: 1.8023649936833033
Energy: 1.8023573785614384
Energy: 1.8023649936833033
Energy: 1.8294735731747138
Energy: 1.971499041340824
Energy: 1.8023545093500875
Energy: 1.971499041340824
Energy: 1.7878891696874455
Energy: 1.8294657011886106
Energy: 3.096588359974196
Energy: 1.8294657011886106
Energy: 1.829461496038627
Energy: 1.9714963054326924
Energy: 2.2321080548385166
Energy: 1.9714963054326924
Energy: 1.8896763769202574
Energy: 1.994816031464823
Energy: 2.21908249856682
Energy: 1.994816031464823
Energy: 1.8544940965530647
Energy: 1.9714949532023536
Energy: 2.6146894584445257
Energy: 1.9714949532023536
Energy: 1.8874853189362593
Energy: 1.8294771677244772
Energy: 2.614693885479791
Energy: 1.8294771677244772
Energy: 1.8896768215747204
Energy: 1.9947989966441673
Energy: 2.219097515153224
Energy: 1.9947989966441673
Energy: 1.829462953289863
Energy: 1.9714964814358666
Energy: 2.2321111171353887
Energy: 1.9714964814358666
Energy: 1.8001565387653733
Energy: 1.8294638192348525
Energy: 3.09663004850666
Energy: 1.8294638192348525
Energy: 1.8294710037468882
Energy: 1.9714953494728285
Energy: 1.8023551677643301
Energy: 1.9714953494728285
Energy: 3.1396322495352824
Energy: 1.802365224500496
Energy: 1.802354521223796
Energy: 1.802365224500496
Energy: 2.213190333562191
Energy: 1.9715008337104594
Energy: 2.245732350431606
Energy: 1.9715008337104594
Energy: 2.213050314029037
Energy: 1.971495464339664
Energy: 1.9103120536524694
Energy: 1.971495464339664
Energy: 2.213191776357721
Energy: 1.8023704315266427
Energy: 1.8154899112694247
Energy: 1.8023704315266427
Energy: 2.632187823190417
Energy: 1.9168036351357056
Energy: 1.8079836395315916
Energy: 1.9168036351357056
Energy: 2.277012709944795
Energy: 1.9948154549688872
Energy: 1.9103246335272215
Energy: 1.9948154549688872
Energy: 2.632188169816096
Energy: 1.9948067793048667
Energy: 1.9103161883612647
Energy: 1.9948067793048667
Energy: 2.8416320760533496
Energy: 1.8154882607514087
Energy: 1.8154870110164365
Energy: 1.8154882607514087
Energy: 2.2131885229741908
Energy: 1.9714958260330586
Energy: 1.8154867814482276
Energy: 1.9714958260330586

minimum gb energy = 1.7878891696874455 eV
minimum distance =  2.43371399612439 Angstroms
sigma value = 9


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

Energy: 1.9118108365365345
Energy: 1.9118344514748151
Energy: 2.324777803017155
Energy: 1.9118344514748151
Energy: 1.9118176311324266
Energy: 1.9111702014056207
Energy: 1.911168375458342
Energy: 1.9111702014056207
Energy: 1.9111515208570224
Energy: 1.9591184554468888
Energy: 1.9591158539259519
Energy: 1.9591184554468888
Energy: 1.911158221741022
Energy: 1.911165006286517
Energy: 1.9591160755475394
Energy: 1.911165006286517
Energy: 1.911151164289721
Energy: 1.9111683846438952
Energy: 1.911156521766998
Energy: 1.9111683846438952
Energy: 3.2100682087557946
Energy: 1.9111592709646403
Energy: 1.9111512425241963
Energy: 1.9111592709646403
Energy: 1.959131002338221
Energy: 1.9111641344174783
Energy: 1.911162563254043
Energy: 1.9111641344174783
Energy: 1.9591230386257934
Energy: 1.9591256632586247
Energy: 2.8693443005106976
Energy: 1.9591256632586247
Energy: 2.2635240018738667
Energy: 1.9111646644304994
Energy: 1.9118012174899879
Energy: 1.9111646644304994
Energy: 2.263519022731534
Energy: 1.9118479022318016
Energy: 1.9117863058226
Energy: 1.9118479022318016
Energy: 1.9111578183718139
Energy: 1.9724608812719067
Energy: 2.8693245215849883
Energy: 1.9724608812719067
Energy: 1.9591242347725588
Energy: 1.9859122494318269
Energy: 1.911162315081669
Energy: 1.9859122494318269
Energy: 2.2635193646471126
Energy: 1.9111558096460697
Energy: 1.911153610292651
Energy: 1.9111558096460697
Energy: 1.911153786451881
Energy: 1.985926434895242
Energy: 1.9111539887419788
Energy: 1.985926434895242
Energy: 1.911149680745266
Energy: 1.9111549664396985
Energy: 2.2635193646471126
Energy: 1.9111549664396985
Energy: 1.9111570788901144
Energy: 1.9859111771856197
Energy: 1.9591231921509695
Energy: 1.9859111771856197
Energy: 2.8693241897981054
Energy: 1.9724885932592104
Energy: 1.9111562200779069
Energy: 1.9724885932592104
Energy: 1.9117847338476122
Energy: 1.9118515148242046
Energy: 2.263519022731534
Energy: 1.9118515148242046
Energy: 1.9118081073174291
Energy: 1.9111661959064161
Energy: 2.2635240018738667
Energy: 1.9111661959064161
Energy: 2.8693454290999845
Energy: 1.9591258121134743
Energy: 1.9111491617712026
Energy: 1.9591258121134743
Energy: 1.911162472056709
Energy: 1.9111639710910848
Energy: 1.9591168518481465
Energy: 1.9111639710910848

minimum gb energy = 1.9111491617712026 eV
minimum distance =  2.54148902334623 Angstroms
sigma value = 25


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

Energy: 2.1804371420338633
Energy: 2.2558834121281675
Energy: 2.2407541962025035
Energy: 2.2558834121281675
Energy: 2.7229239145438062
Energy: 2.135829428115271
Energy: 2.1189893669513666
Energy: 2.135829428115271
Energy: 2.1617616633415753
Energy: 2.134930746856968
Energy: 2.1349001736212605
Energy: 2.134930746856968
Energy: 2.0862255864153147
Energy: 2.153549155720708
Energy: 2.1189935811478393
Energy: 2.153549155720708
Energy: 2.1617626748406242
Energy: 2.1358131772758386
Energy: 2.774762976261124
Energy: 2.1358131772758386
Energy: 2.8573822762574395
Energy: 2.1112462109176615
Energy: 2.1157078199396664
Energy: 2.1112462109176615
Energy: 2.27741711423372
Energy: 2.1535492315204703
Energy: 2.115723687322093
Energy: 2.1535492315204703
Energy: 2.32501726712079
Energy: 2.2774592711215744
Energy: 2.118977535315715
Energy: 2.2774592711215744
Energy: 2.2774767338657744
Energy: 2.111245773444485
Energy: 2.1157061942808344
Energy: 2.111245773444485
Energy: 2.1617678107553107
Energy: 2.1112415031954823
Energy: 2.115725422108012
Energy: 2.1112415031954823
Energy: 2.1068263799865092
Energy: 2.1535518296953993
Energy: 2.876008540937591
Energy: 2.1535518296953993
Energy: 2.1617690083223877
Energy: 2.1112503739306465
Energy: 2.11898759347312
Energy: 2.1112503739306465
Energy: 2.747958080470117
Energy: 2.1190050916062027
Energy: 2.1189813479936364
Energy: 2.1190050916062027
Energy: 2.722917614275002
Energy: 2.1112449949518495
Energy: 2.3179594758657793
Energy: 2.1112449949518495
Energy: 2.7229215632847756
Energy: 2.1112608969248967
Energy: 2.317965972886054
Energy: 2.1112608969248967
Energy: 2.0700055180419716
Energy: 2.1050178152997274
Energy: 2.1189795076263302
Energy: 2.1050178152997274
Energy: 2.1617754693280347
Energy: 2.1112434006479925
Energy: 2.1349075580868906
Energy: 2.1112434006479925

minimum gb energy = 2.0700055180419716 eV
minimum distance =  2.52122400766973 Angstroms
sigma value = 17


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

Energy: 2.5957211933710465
Energy: 2.3151606671547027
Energy: 2.2685039046235578
Energy: 2.3151606671547027
Energy: 2.6633829495376746
Energy: 2.1763484690983876
Energy: 2.2172913589123953
Energy: 2.1763484690983876
Energy: 2.25788747593889
Energy: 2.1977698001395356
Energy: 2.185725866069789
Energy: 2.1977698001395356
Energy: 2.183773346218405
Energy: 2.161741901495439
Energy: 2.217284367226609
Energy: 2.161741901495439
Energy: 2.179579435365464
Energy: 2.1412231547463163
Energy: 2.564612950324152
Energy: 2.1412231547463163
Energy: 2.4328364603938675
Energy: 2.1793060844358676
Energy: 2.2363879578709476
Energy: 2.1793060844358676
Energy: 2.284795271049615
Energy: 2.1572826942903904
Energy: 2.5645761621549186
Energy: 2.1572826942903904
Energy: 2.222966879691763
Energy: 2.1617411593691607
Energy: 2.6135367474343805
Energy: 2.1617411593691607
Energy: 2.204875242830628
Energy: 2.18395597304695
Energy: 2.1760348272712164
Energy: 2.18395597304695
Energy: 2.171393532553031
Energy: 2.193667665187903
Energy: 2.22070973438787
Energy: 2.193667665187903
Energy: 2.213407594240888
Energy: 2.179276724420199
Energy: 2.6086496316836194
Energy: 2.179276724420199
Energy: 2.213419166390171
Energy: 2.1839616357696667
Energy: 2.258797685106312
Energy: 2.1839616357696667
Energy: 2.574318340498021
Energy: 2.250097019386562
Energy: 2.3019870227655828
Energy: 2.250097019386562
Energy: 2.2134025685727137
Energy: 2.179275518805761
Energy: 2.272214420626376
Energy: 2.179275518805761
Energy: 2.2134348327531015
Energy: 2.2903152138284133
Energy: 2.208051176625092
Energy: 2.2903152138284133
Energy: 2.7084798931347014
Energy: 2.183956851753283
Energy: 2.1760449462243634
Energy: 2.183956851753283
Energy: 2.2229832874369078
Energy: 2.1839671401479985
Energy: 2.2206964472296282
Energy: 2.1839671401479985
Energy: 2.204841193025474
Energy: 2.2595986930033636
Energy: 2.6678210089641463
Energy: 2.2595986930033636
Energy: 2.2847954365100853
Energy: 2.179283278410259
Energy: 2.3988860297928043
Energy: 2.179283278410259
Energy: 2.274617902475238
Energy: 2.179283471298248
Energy: 2.5645790449986743
Energy: 2.179283471298248
Energy: 2.1795613553947084
Energy: 2.21853670581269
Energy: 2.699633916496915
Energy: 2.21853670581269
Energy: 2.1795621169281736
Energy: 2.183989987963938
Energy: 2.217287086102263
Energy: 2.183989987963938
Energy: 2.7077274311853023
Energy: 2.19338140080615
Energy: 2.2172767550909165
Energy: 2.19338140080615
Energy: 2.5845409400645156
Energy: 2.151340583977077
Energy: 2.3247577457875175
Energy: 2.151340583977077
Energy: 2.5845425078702378
Energy: 2.1513409071772895
Energy: 2.324745026216866
Energy: 2.1513409071772895
Energy: 2.673601376068554
Energy: 2.193384965794437
Energy: 2.2172783666917657
Energy: 2.193384965794437
Energy: 2.1795637595985164
Energy: 2.183968574009352
Energy: 2.217286021580166
Energy: 2.183968574009352
Energy: 2.1837824721606736
Energy: 2.1617549191134917
Energy: 2.7456637505311017
Energy: 2.1617549191134917
Energy: 2.2578792533410925
Energy: 2.179293278176961
Energy: 2.5645776065088155
Energy: 2.179293278176961
Energy: 2.2848122944132156
Energy: 2.1792932951689226
Energy: 2.2363811921046746
Energy: 2.1792932951689226

minimum gb energy = 2.1412231547463163 eV
minimum distance =  2.51083142134319 Angstroms
sigma value = 53


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

Energy: 2.1140600633030138
Energy: 2.013210538276316
Energy: 2.3751951323591074
Energy: 2.013210538276316
Energy: 2.1140530509428093
Energy: 2.013211372093161
Energy: 2.1140521272632675
Energy: 2.013211372093161
Energy: 2.1140601758916304
Energy: 2.013224347937133
Energy: 2.218115887407983
Energy: 2.013224347937133
Energy: 2.218115554194509
Energy: 2.0132250424935716
Energy: 2.1140629081300957
Energy: 2.0132250424935716
Energy: 2.114049072335526
Energy: 2.0132112845823844
Energy: 2.1140532886677215
Energy: 2.0132112845823844
Energy: 2.758589558008834
Energy: 2.013210538276316
Energy: 2.1140600633030138
Energy: 2.013210538276316
Energy: 2.1140521272632675
Energy: 2.013211372093161
Energy: 2.1140530509428093
Energy: 2.013211372093161
Energy: 2.218115887407983
Energy: 2.013224347937133
Energy: 2.1140601758916304
Energy: 2.013224347937133
Energy: 2.1140629079355477
Energy: 2.0132250424935716
Energy: 2.218115554194509
Energy: 2.0132250424935716
Energy: 2.1140532886677215
Energy: 2.0132112845823844
Energy: 2.114049072335526
Energy: 2.0132112845823844
Energy: 2.1140600633030138
Energy: 2.013210538276316
Energy: 2.3751951333746395
Energy: 2.013210538276316
Energy: 2.1140530509428093
Energy: 2.013211372093161
Energy: 2.1140521272632675
Energy: 2.013211372093161
Energy: 2.1140601758941577
Energy: 2.013224347937133
Energy: 2.218115887407983
Energy: 2.013224347937133

minimum gb energy = 2.013210538276316 eV
minimum distance =  2.53989809734201 Angstroms
sigma value = 9


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

Energy: 2.518929940337903
Energy: 2.175080468449472
Energy: 2.578162935616451
Energy: 2.175080468449472
Energy: 2.253818603482296
Energy: 2.159350544479159
Energy: 2.3655764777177133
Energy: 2.159350544479159
Energy: 2.33755139660619
Energy: 2.2160608079981925
Energy: 2.3174607979028523
Energy: 2.2160608079981925
Energy: 2.301471545195251
Energy: 2.198059357493154
Energy: 2.365573505941308
Energy: 2.198059357493154
Energy: 2.3375373781003783
Energy: 2.1593507635478146
Energy: 2.1593482939502544
Energy: 2.1593507635478146
Energy: 2.769096238696307
Energy: 2.167516120714369
Energy: 2.493836252459928
Energy: 2.167516120714369
Energy: 2.3349097779843437
Energy: 2.159357539924033
Energy: 2.2450272315849147
Energy: 2.159357539924033
Energy: 2.306283493530217
Energy: 2.2547683990075384
Energy: 2.329137491939569
Energy: 2.2547683990075384
Energy: 2.334914848718408
Energy: 2.1695807921846852
Energy: 2.329108494063438
Energy: 2.1695807921846852
Energy: 2.490144461337126
Energy: 2.169610583288092
Energy: 2.3840488992205437
Energy: 2.169610583288092
Energy: 2.3288067844007987
Energy: 2.159334704710484
Energy: 2.7661212035602483
Energy: 2.159334704710484
Energy: 2.2806977949664753
Energy: 2.159340331148225
Energy: 2.32259736858439
Energy: 2.159340331148225
Energy: 2.374773816758699
Energy: 2.245012192291593
Energy: 2.322578256703606
Energy: 2.245012192291593
Energy: 2.337521464883121
Energy: 2.1981358778561337
Energy: 2.5046194785726694
Energy: 2.1981358778561337
Energy: 2.3375473670453957
Energy: 2.254741929592532
Energy: 2.322596553012562
Energy: 2.254741929592532
Energy: 2.7739207680883715
Energy: 2.245013284230443
Energy: 2.3225878720522264
Energy: 2.245013284230443
Energy: 2.4901530411093837
Energy: 2.2450060185389864
Energy: 2.2828678275205907
Energy: 2.2450060185389864
Energy: 2.3288040600542526
Energy: 2.159333484110568
Energy: 2.38404714892011
Energy: 2.159333484110568
Energy: 2.2547525190134556
Energy: 2.1980375831999606
Energy: 2.329106703552562
Energy: 2.1980375831999606
Energy: 2.33492415476192
Energy: 2.24501560235302
Energy: 2.35327414849051
Energy: 2.24501560235302
Energy: 2.2983525938302454
Energy: 2.2547550332112576
Energy: 2.3841203386467993
Energy: 2.2547550332112576
Energy: 2.5370754567365106
Energy: 2.1593416207882576
Energy: 2.4938403067279973
Energy: 2.1593416207882576
Energy: 2.4141778012142194
Energy: 2.1675293759146728
Energy: 2.493836113934652
Energy: 2.1675293759146728
Energy: 2.337520232499446
Energy: 2.1980564777549305
Energy: 2.169582283070429
Energy: 2.1980564777549305
Energy: 2.3014675383558103
Energy: 2.254775858393684
Energy: 2.3088771968687367
Energy: 2.254775858393684
Energy: 2.4376949629344566
Energy: 2.198072660934533
Energy: 2.3088741793812884
Energy: 2.1980726609373393
Energy: 2.240811244484286
Energy: 2.167534815488737
Energy: 2.587172274204445
Energy: 2.167534815488737
Energy: 2.5157782004827984
Energy: 2.1675715480793456
Energy: 2.5871743584134737
Energy: 2.1675715480793456
Energy: 2.1775998266719703
Energy: 2.290272344368828
Energy: 2.308875380110687
Energy: 2.290272344368828
Energy: 2.30146837677421
Energy: 2.2622730193056935
Energy: 2.308876721120321
Energy: 2.2622730193056935
Energy: 2.3375196116377794
Energy: 2.1981270793565177
Energy: 2.765396343329417
Energy: 2.1981270793565177
Energy: 2.6427372672134295
Energy: 2.1593588352179895
Energy: 2.4938349939963897
Energy: 2.1593588352179895
Energy: 2.328934179294441
Energy: 2.159365117336638
Energy: 2.493840246456256
Energy: 2.159365117336638
Energy: 2.29832650114573
Energy: 2.2622898892473704
Energy: 2.3840817627676225
Energy: 2.2622898892473704
Energy: 2.3349095260963986
Energy: 2.245055466350019
Energy: 2.3291201203781244
Energy: 2.245055466350019

minimum gb energy = 2.159333484110568 eV
minimum distance =  2.47653257813638 Angstroms
sigma value = 73


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

Energy: 2.606872313441341
Energy: 2.2431257402561546
Energy: 2.587215371738548
Energy: 2.2431257402561546
Energy: 2.595151774049332
Energy: 2.2123653337613476
Energy: 2.3950643181268387
Energy: 2.2123653337613476
Energy: 2.355163880349705
Energy: 2.3148729070387715
Energy: 2.3403237453828494
Energy: 2.3148729070387715
Energy: 2.3551141336583417
Energy: 2.2619873370116736
Energy: 2.3950626757501365
Energy: 2.2619873370116736
Energy: 2.5227939242467037
Energy: 2.2620081618086783
Energy: 2.5937445090863926
Energy: 2.2620081618086783
Energy: 3.0332774390885624
Energy: 2.1936941756262147
Energy: 2.345054896728743
Energy: 2.1936941756262147
Energy: 2.3349326628067537
Energy: 2.1936909220044396
Energy: 2.593732889298053
Energy: 2.1936909220044396
Energy: 2.3349248888947978
Energy: 2.2619894686397553
Energy: 2.473960194850245
Energy: 2.2619894686397553
Energy: 2.659782229319021
Energy: 2.3149098046948646
Energy: 2.3950714962477297
Energy: 2.3149098046948646
Energy: 2.334931856704345
Energy: 2.3149158125269103
Energy: 2.3950758810042148
Energy: 2.3149158125269103
Energy: 2.334929804856059
Energy: 2.2620008131002396
Energy: 2.4739452586962245
Energy: 2.2620008131002396
Energy: 2.659776979751168
Energy: 2.2619875945782155
Energy: 2.59373920599279
Energy: 2.2619875945782155
Energy: 2.522811687384493
Energy: 2.1936906515674903
Energy: 2.34528890704571
Energy: 2.1936906515674903
Energy: 2.355093025396767
Energy: 2.2449662835566215
Energy: 2.3265957355120346
Energy: 2.2449662835566215
Energy: 2.3551123297786782
Energy: 2.2619943748799844
Energy: 2.395055256712928
Energy: 2.2619943748799844
Energy: 2.5227805510322496
Energy: 2.314915791089633
Energy: 2.304180658395641
Energy: 2.314915791089633
Energy: 2.595110704926834
Energy: 2.2791348028107636
Energy: 2.790388945770899
Energy: 2.2791348028107636
Energy: 2.595112430694061
Energy: 2.279150092847137
Energy: 2.7903714619588786
Energy: 2.279150092847137
Energy: 2.802207587522364
Energy: 2.2449749152869702
Energy: 2.395055773824966
Energy: 2.2449749152869702
Energy: 2.3551258621819002
Energy: 2.2619967103070833
Energy: 2.3041839506449295
Energy: 2.2619967103070833
Energy: 2.3550988635787813
Energy: 2.2449818924926648
Energy: 2.32659826724375
Energy: 2.2449818924926648
Energy: 2.5227835967355325
Energy: 2.2619936273752255
Energy: 2.345312982958981
Energy: 2.2619936273752255

minimum gb energy = 2.1936906515674903 eV
minimum distance =  2.4802078221892 Angstroms
sigma value = 7


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

Energy: 2.682542683909089
Energy: 2.3066184027647245
Energy: 2.6077891800116646
Energy: 2.3066184027647245
Energy: 2.663546145072426
Energy: 2.29226117958693
Energy: 2.366237394218372
Energy: 2.29226117958693
Energy: 2.3662266638953566
Energy: 2.2882114112025342
Energy: 2.36622736826289
Energy: 2.2882114112025342
Energy: 2.3662205421681732
Energy: 2.2519851939333146
Energy: 2.366230076693048
Energy: 2.2519851939333146
Energy: 2.5088500302870558
Energy: 2.288215242862986
Energy: 2.3223168602085997
Energy: 2.288215242862986
Energy: 3.013649425749941
Energy: 2.2519884302253286
Energy: 2.322275666303506
Energy: 2.2519884302253286
Energy: 2.3222878345204876
Energy: 2.2846295759546624
Energy: 2.7175638782475158
Energy: 2.2846295759546624
Energy: 2.3222679994234894
Energy: 2.251992206773632
Energy: 2.508927923756916
Energy: 2.251992206773632
Energy: 2.717472738708236
Energy: 2.2882521682301595
Energy: 2.3662284330034242
Energy: 2.2882521682301595
Energy: 2.3662644144236102
Energy: 2.251990696487025
Energy: 2.366227636556431
Energy: 2.251990696487025
Energy: 2.366244350431845
Energy: 2.2882493331669
Energy: 2.5088692676785542
Energy: 2.2882493331669
Energy: 2.8661001556313006
Energy: 2.2519871887714267
Energy: 2.6635419410347336
Energy: 2.2519871887714267
Energy: 2.8661149736523037
Energy: 2.2519924160067673
Energy: 2.663544007246928
Energy: 2.2519924160067673
Energy: 2.3662310796081405
Energy: 2.3231005547719294
Energy: 2.807608648659965
Energy: 2.3231005547719294
Energy: 2.3662330958019373
Energy: 2.251988761883098
Energy: 2.3662218448685217
Energy: 2.251988761883098
Energy: 2.717471906545366
Energy: 2.4458534523125404
Energy: 2.3662445459802823
Energy: 2.4458534523125404
Energy: 2.3222656946577453
Energy: 2.251988743586191
Energy: 2.5089298682891843
Energy: 2.251988743586191
Energy: 2.3222710310705357
Energy: 2.2882497447089416
Energy: 2.7175692408201955
Energy: 2.2882497447089416
Energy: 3.013629907334796
Energy: 2.2519881819636742
Energy: 2.3222833835995087
Energy: 2.2519881819636742
Energy: 2.508889483373439
Energy: 2.2882438103368345
Energy: 2.3223090306817116
Energy: 2.2882438103368345
Energy: 2.3662540138272843
Energy: 2.3161270766615036
Energy: 2.3662269685288937
Energy: 2.3161270766615036
Energy: 2.3662312877409084
Energy: 2.288252231027986
Energy: 2.366214483680432
Energy: 2.288252231027986
Energy: 2.663574404218248
Energy: 2.275752346565722
Energy: 2.3662223255577737
Energy: 2.275752346565722
Energy: 2.663540617599671
Energy: 2.251992759605858
Energy: 2.866137349154541
Energy: 2.251992759605858
Energy: 2.6635453963938223
Energy: 2.2519971007368116
Energy: 2.3662589682312887
Energy: 2.2519971007368116
Energy: 2.508996826166893
Energy: 2.2882426763085637
Energy: 2.366211084739448
Energy: 2.2882426763085637
Energy: 2.3662366571653584
Energy: 2.25199767853211
Energy: 2.3662193066828094
Energy: 2.25199767853211
Energy: 2.5088626160209615
Energy: 2.2882462772722008
Energy: 2.7175405079952593
Energy: 2.2882462772722008
Energy: 2.5088779672199046
Energy: 2.2519803417783346
Energy: 2.3223020743349623
Energy: 2.2519803417783346
Energy: 2.7175516434386195
Energy: 2.284639980183514
Energy: 2.7175565877527674
Energy: 2.284639980183514
Energy: 2.3223024715263048
Energy: 2.2519805584905073
Energy: 2.5088779672199046
Energy: 2.2519805584894574

minimum gb energy = 2.2519803417783346 eV
minimum distance =  2.50124563014409 Angstroms
sigma value = 29


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

Energy: 2.2152402648055545
Energy: 2.1809587332430396
Energy: 2.7168928399248053
Energy: 2.1809587332430396
Energy: 2.7434881623515452
Energy: 2.1167374552020095
Energy: 2.278587468788741
Energy: 2.1167374552020095
Energy: 2.5891294936434743
Energy: 2.1248073172263435
Energy: 2.220054207193433
Energy: 2.1248073172263435
Energy: 2.864731322401635
Energy: 2.124822906351417
Energy: 2.278613062824763
Energy: 2.124822906351417
Energy: 2.949389062683513
Energy: 2.1248154616745083
Energy: 2.2200542315604306
Energy: 2.124815461674874
Energy: 2.589135740244329
Energy: 2.124850964326637
Energy: 2.2200491409015997
Energy: 2.124850964326637
Energy: 2.4374448905364017
Energy: 2.1248145068421294
Energy: 3.141053129925261
Energy: 2.1248145068421294
Energy: 2.2151732757094953
Energy: 2.124839810287717
Energy: 2.4712163167395205
Energy: 2.124839810287717
Energy: 2.8647182437383405
Energy: 2.1248261328845572
Energy: 2.2200594297371365
Energy: 2.1248261328845572

minimum gb energy = 2.1167374552020095 eV
minimum distance =  2.49872408720231 Angstroms
sigma value = 5


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

Energy: 2.5672654085115103
Energy: 2.106733461000406
Energy: 2.798496256714645
Energy: 2.106733461000406
Energy: 2.10806046444637
Energy: 2.1192247823048023
Energy: 2.465565700041071
Energy: 2.1192247823048023
Energy: 2.316078675018598
Energy: 2.066018678669729
Energy: 2.3770916500817743
Energy: 2.066018678669729
Energy: 2.316073295239572
Energy: 2.1153173183510825
Energy: 2.508787778044102
Energy: 2.1153173183510825
Energy: 2.2554981395775204
Energy: 2.0664054020496105
Energy: 2.299500907204301
Energy: 2.0664054020496105
Energy: 2.4468086593767397
Energy: 2.0878695248604613
Energy: 2.299515968334555
Energy: 2.0878695248604613
Energy: 2.498919811348045
Energy: 2.0672062795254083
Energy: 2.459288770863032
Energy: 2.0672062795254083
Energy: 2.4989210142087033
Energy: 2.067169285538455
Energy: 2.4006250460146914
Energy: 2.067169285538455
Energy: 2.6257379146524333
Energy: 2.0892482206653233
Energy: 2.509336728107812
Energy: 2.0892482206653233
Energy: 2.6042570827256255
Energy: 2.089311321347765
Energy: 2.5093424661816606
Energy: 2.089311321347765
Energy: 2.3708773665351024
Energy: 2.066073443944518
Energy: 2.4766632296952933
Energy: 2.066073443944518
Energy: 2.3708745379205167
Energy: 2.0660141166367767
Energy: 2.2760039975359296
Energy: 2.0660141166367767
Energy: 2.538622657723919
Energy: 2.1582511156101987
Energy: 2.276025262046249
Energy: 2.1582511156101987
Energy: 2.2941281015708226
Energy: 2.0663934383546847
Energy: 2.276020208565056
Energy: 2.0663934383546847
Energy: 2.3444403269495466
Energy: 2.1650107145937754
Energy: 2.103897067895634
Energy: 2.1650107145937754
Energy: 2.670779451519797
Energy: 2.089227462226439
Energy: 2.5093339919151774
Energy: 2.089227462226439
Energy: 2.106084783115285
Energy: 2.0892336817427895
Energy: 2.0645074979553217
Energy: 2.0892336817427895
Energy: 2.3743162703175504
Energy: 2.0644671453648136
Energy: 2.45932153603999
Energy: 2.0644671453648136
Energy: 2.498929652394978
Energy: 2.092215784514921
Energy: 2.2760087978778816
Energy: 2.092215784514921
Energy: 2.3247312548874164
Energy: 2.066081491645577
Energy: 2.299499511631302
Energy: 2.066081491645577
Energy: 2.324739861525539
Energy: 2.1153109383601767
Energy: 2.399173444153968
Energy: 2.1153109383601767
Energy: 2.421035433184008
Energy: 2.0664468852012856
Energy: 2.362475198995557
Energy: 2.0664468852012856
Energy: 2.3161063236844766
Energy: 2.066582834437173
Energy: 2.362476203893291
Energy: 2.066582834437173
Energy: 2.7128560757251923
Energy: 2.106785725440805
Energy: 2.7619362207111
Energy: 2.106785725440805
Energy: 2.712795523136444
Energy: 2.1067494902464214
Energy: 2.8914779546983302
Energy: 2.1067494902464214
Energy: 2.538465649007336
Energy: 2.0664197026373716
Energy: 2.3624891787154483
Energy: 2.0664197026373716
Energy: 2.3160696881043177
Energy: 2.066480773796335
Energy: 2.3624779729371834
Energy: 2.066480773796335
Energy: 2.3247381885846288
Energy: 2.1152991827885117
Energy: 2.5877433253708597
Energy: 2.1152991827885117
Energy: 2.324732546233282
Energy: 2.066031605743104
Energy: 2.299496787588689
Energy: 2.066031605743104
Energy: 2.106145152455367
Energy: 2.189540214050429
Energy: 2.3696114761690463
Energy: 2.189540214050429
Energy: 2.4989210174845167
Energy: 2.0644681522650736
Energy: 2.459279706146974
Energy: 2.0644681522650736
Energy: 2.498936604448955
Energy: 2.112562299874056
Energy: 2.4655633156243453
Energy: 2.112562299874056
Energy: 2.741509694509666
Energy: 2.0892244048210955
Energy: 2.50933431699321
Energy: 2.0892244048210955

minimum gb energy = 2.0644671453648136 eV
minimum distance =  2.43152791570531 Angstroms
sigma value = 1


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

Energy: 2.355588541413222
Energy: 1.9534200095825127
Energy: 2.5321910313195897
Energy: 1.9534200095825127
Energy: 2.284653718887307
Energy: 2.049423172691834
Energy: 2.308726731270029
Energy: 2.049423172691834
Energy: 2.3711230897996227
Energy: 1.9532267150910894
Energy: 2.3960077949400573
Energy: 1.9532267150910894
Energy: 2.3087264716113483
Energy: 1.9532262940450233
Energy: 2.367940072819314
Energy: 1.9532262940450233
Energy: 2.170741317660462
Energy: 1.9534560934720147
Energy: 2.170765765076207
Energy: 1.9534560934720147
Energy: 2.1707856485044763
Energy: 2.042772596338456
Energy: 2.1707704768328813
Energy: 2.042772596338456
Energy: 2.3679196853536824
Energy: 1.953266587485609
Energy: 2.3710951146006933
Energy: 1.953266587485609
Energy: 2.367911130719393
Energy: 1.9532259653160207
Energy: 2.3711757145931007
Energy: 1.9532259653160207
Energy: 2.602946006492182
Energy: 1.9534587325448554
Energy: 2.3295287835714817
Energy: 1.9534587325448554
Energy: 2.602946006492182
Energy: 1.9534577223479994
Energy: 2.329535125108392
Energy: 1.9534577223479994
Energy: 2.367911575869881
Energy: 1.9532259665613751
Energy: 2.3711757145931007
Energy: 1.9532259665613751
Energy: 2.3679175630567495
Energy: 1.9532654653075623
Energy: 2.3710951146006933
Energy: 1.9532654653075623
Energy: 2.1707863784304737
Energy: 2.042772339992528
Energy: 2.170767973020869
Energy: 2.042772339992528
Energy: 2.1707399707541546
Energy: 1.9534558852430965
Energy: 2.170764988700525
Energy: 1.9534558852430965
Energy: 2.308726833881562
Energy: 1.9532273618066438
Energy: 2.367942740647825
Energy: 1.9532273618066438
Energy: 2.3711230897996227
Energy: 1.953226368166666
Energy: 2.3960061741253575
Energy: 1.953226368166666
Energy: 2.284653778235871
Energy: 2.0494242634974653
Energy: 2.3087266732380933
Energy: 2.0494242634974653
Energy: 2.355588541413222
Energy: 1.9534200095825127
Energy: 2.5321936590293577
Energy: 1.9534200095825127
Energy: 2.284653718887307
Energy: 2.049423172691834
Energy: 2.308726731270029
Energy: 2.049423172691834
Energy: 2.3711230897996227
Energy: 1.9532267150910894
Energy: 2.3960077949400573
Energy: 1.9532267150910894
Energy: 2.3087264716113483
Energy: 1.9532262940450233
Energy: 2.367940072819314
Energy: 1.9532262940450233
Energy: 2.170741317660462
Energy: 1.9534560934720147
Energy: 2.170765764781643
Energy: 1.9534560934720147
Energy: 2.1707856391923532
Energy: 2.042772596338456
Energy: 2.170770476438323
Energy: 2.042772596338456
Energy: 2.3679196853536824
Energy: 1.953266587485609
Energy: 2.3710951146006933
Energy: 1.953266587485609

minimum gb energy = 1.9532259653160207 eV
minimum distance =  2.44655036248869 Angstroms
sigma value = 17


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

Energy: 2.6738056409717363
Energy: 1.9911226892032783
Energy: 2.669327246911145
Energy: 1.9911226892032783
Energy: 1.9628149598900337
Energy: 2.018943186974139
Energy: 2.4004339487739133
Energy: 2.018943186974139
Energy: 2.2183410492177527
Energy: 1.9399171230706156
Energy: 2.326727535646125
Energy: 1.9399171230706156
Energy: 2.0087775513363537
Energy: 1.9963107083036955
Energy: 2.57406347095256
Energy: 1.9963107083036955
Energy: 1.9970281632601858
Energy: 1.9414471804408593
Energy: 2.2576081597955575
Energy: 1.9414471804408593
Energy: 2.3342132773149356
Energy: 1.9682015814834544
Energy: 2.257605678538097
Energy: 1.9682015814834544
Energy: 2.307954138592229
Energy: 1.940833990136549
Energy: 2.193806105450346
Energy: 1.940833990136549
Energy: 2.3079587257449927
Energy: 1.9408511471799736
Energy: 2.23070850846712
Energy: 1.9408511471799736
Energy: 2.4467785931766963
Energy: 1.9662381415592058
Energy: 2.613851160801081
Energy: 1.9662381415592058
Energy: 2.4595128783468936
Energy: 1.9662482175616076
Energy: 2.6138533203694228
Energy: 1.9662482175616076
Energy: 2.442231139844976
Energy: 1.9542374432244611
Energy: 2.230729040589614
Energy: 1.9542374432244611
Energy: 2.4422016710754972
Energy: 1.9663989899521686
Energy: 2.250509890349551
Energy: 1.9663989899521686
Energy: 2.2876079418732616
Energy: 1.9398159987442838
Energy: 2.3148516561790924
Energy: 1.9398159987442838
Energy: 2.2027517567691994
Energy: 1.9414678280004143
Energy: 2.3148560090163888
Energy: 1.9414678280004143
Energy: 2.202749828368022
Energy: 1.952182849107126
Energy: 2.3148585041375065
Energy: 1.952182849107126
Energy: 2.2027543043438973
Energy: 1.940911621435277
Energy: 2.2345471143834224
Energy: 1.940911621435277
Energy: 2.5982544818100544
Energy: 1.9824494145534175
Energy: 2.2795904089809884
Energy: 1.9824494145534175
Energy: 2.442197087522423
Energy: 1.9527688228191344
Energy: 2.412519513915456
Energy: 1.9527688228191344
Energy: 2.395776202889835
Energy: 2.0144494834986215
Energy: 2.403555267657405
Energy: 2.0144494834986215
Energy: 2.54477815100452
Energy: 1.9662745013158682
Energy: 2.4588358224056357
Energy: 1.9662745013158682
Energy: 2.163765545513012
Energy: 2.1361328433593334
Energy: 2.3448016136062972
Energy: 2.1361328433601803
Energy: 2.3079565996087887
Energy: 1.9414988162473135
Energy: 2.193035968404991
Energy: 1.9414988162473135
Energy: 2.4469295647454703
Energy: 1.9682539291980294
Energy: 2.344214796370065
Energy: 1.9682539291980294
Energy: 2.23984803275671
Energy: 1.9408295616326032
Energy: 2.187018484095234
Energy: 1.940829561631756
Energy: 2.2398526202728317
Energy: 1.9521465247886163
Energy: 2.3657870018302143
Energy: 1.9521465247886163
Energy: 2.218348120165011
Energy: 1.941451422334931
Energy: 2.313726235335222
Energy: 1.941451422334931
Energy: 2.3225034731798018
Energy: 1.941497672221773
Energy: 2.4382724489996632
Energy: 1.941497672221773
Energy: 2.6299283799617346
Energy: 1.9926710000631214
Energy: 2.6747164472365275
Energy: 1.9926710000631214
Energy: 2.6299286984804464
Energy: 1.9926800653003596
Energy: 2.532690001566669
Energy: 1.9926800653003596
Energy: 2.2183505130106558
Energy: 1.9414341057392235
Energy: 2.313727912604512
Energy: 1.9414341057392235
Energy: 2.2183619993806767
Energy: 1.9414349981755605
Energy: 2.4382714857537935
Energy: 1.9414349981755605
Energy: 2.2398488659244706
Energy: 1.9521490735598988
Energy: 2.2576159577255046
Energy: 1.9521490735598988
Energy: 2.2398513505360964
Energy: 1.9408294704653382
Energy: 2.187020785143783
Energy: 1.9408294704653382
Energy: 2.4469269107960123
Energy: 1.9397823925492905
Energy: 2.1930373165029065
Energy: 1.9397823925492905
Energy: 2.3079568861518736
Energy: 1.9414360331573024
Energy: 2.2307009624151064
Energy: 1.9414360331573024
Energy: 2.0159023540800707
Energy: 1.9811495456566464
Energy: 2.613856400447754
Energy: 1.9811495456566464
Energy: 2.589328392373922
Energy: 1.9662322459933739
Energy: 2.4588395351697243
Energy: 1.9662322459933739
Energy: 2.0957167328642217
Energy: 2.0144481552680826
Energy: 1.9850216583730678
Energy: 2.0144481552680826

minimum gb energy = 1.9397823925492905 eV
minimum distance =  2.43144779973083 Angstroms
sigma value = 89


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

Energy: 2.538864251246642
Energy: 1.8051935539111372
Energy: 2.3138651928561984
Energy: 1.8051935539111372
Energy: 2.279618003541062
Energy: 1.795512731301039
Energy: 2.288071656444246
Energy: 1.795512731301039
Energy: 2.219719206553273
Energy: 1.8132962230298715
Energy: 2.13930143944158
Energy: 1.8132962230298715
Energy: 2.2090738226407374
Energy: 1.804934143800072
Energy: 2.4833906134365953
Energy: 1.804934143800072
Energy: 2.1661669923169105
Energy: 1.804888250022546
Energy: 2.08379330623805
Energy: 1.804888250022546
Energy: 2.154509044732594
Energy: 1.9432394473770158
Energy: 2.083796856976622
Energy: 1.9432394473770158
Energy: 2.1544959130787324
Energy: 1.8133663048431683
Energy: 2.0856077544440264
Energy: 1.8133663048431683
Energy: 2.1545079523902437
Energy: 1.804871872619885
Energy: 2.3183140799702406
Energy: 1.804871872619885
Energy: 2.2196760095174257
Energy: 1.8048733952309606
Energy: 2.1286165405045283
Energy: 1.8048733952309606
Energy: 2.1545129704507966
Energy: 1.8049291675309251
Energy: 2.1286404148918834
Energy: 1.8049291675287087
Energy: 2.4705401091971932
Energy: 1.8052005325663565
Energy: 2.3183049669320073
Energy: 1.8052005325663565
Energy: 2.47055868933318
Energy: 1.8052022345402916
Energy: 2.318303316739861
Energy: 1.8052022345402916
Energy: 2.219745965152122
Energy: 1.8048974566162919
Energy: 2.128633338391679
Energy: 1.8048974566162919
Energy: 2.2197345710155374
Energy: 1.804911996445556
Energy: 2.1286285674150767
Energy: 1.804911996445556
Energy: 2.1545105870097254
Energy: 1.805050009791899
Energy: 2.3183075123364825
Energy: 1.805050009791899

minimum gb energy = 1.795512731301039 eV
minimum distance =  2.44028555022088 Angstroms
sigma value = 13


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

Energy: 2.4176166413911195
Energy: 1.7896645151775357
Energy: 2.335838545269626
Energy: 1.7896645151775357
Energy: 2.228271944438549
Energy: 1.789656031450117
Energy: 2.1960602269640934
Energy: 1.789656031450117
Energy: 2.061662827059656
Energy: 1.686957375463725
Energy: 2.359658824152265
Energy: 1.686957375463725
Energy: 2.1232009888513383
Energy: 1.90990123856166
Energy: 2.2411031422420082
Energy: 1.90990123856166
Energy: 2.0852997201589965
Energy: 1.66852704838959
Energy: 2.00796041866235
Energy: 1.66852704838959
Energy: 2.2398774183993178
Energy: 1.6685198265417
Energy: 2.211602896295115
Energy: 1.6685198265417
Energy: 2.0768487122463193
Energy: 1.6427135206887291
Energy: 1.7554520799996312
Energy: 1.6427135206887291
Energy: 2.0768539155170633
Energy: 1.7113767507424824
Energy: 2.0768655413164683
Energy: 1.7113767507424824
Energy: 2.0079634159901256
Energy: 1.6685205128443137
Energy: 2.079322999393852
Energy: 1.6685205128443137
Energy: 2.190012062184221
Energy: 1.6685177612308388
Energy: 1.8642991740269192
Energy: 1.6685177612308388
Energy: 2.326222170305249
Energy: 1.686950743548943
Energy: 2.027710038189961
Energy: 1.686950743548943
Energy: 2.326225032592353
Energy: 1.6869771759242673
Energy: 2.0212806024305694
Energy: 1.6869771759242673
Energy: 2.0488315191193167
Energy: 1.7250043864681868
Energy: 2.2629726157565995
Energy: 1.7250043864681868
Energy: 2.019914369486654
Energy: 1.724991559444441
Energy: 2.219324776701434
Energy: 1.724991559444441
Energy: 2.3262244509818917
Energy: 1.6869487106927592
Energy: 2.1524301344905563
Energy: 1.6869487106927592
Energy: 2.326218144767535
Energy: 1.6869711629249582
Energy: 1.837873980993546
Energy: 1.6869711629249582
Energy: 2.1039109851536497
Energy: 1.6685204248726246
Energy: 2.0793311908655303
Energy: 1.6685204248726246
Energy: 2.0079631499243047
Energy: 1.668523147356942
Energy: 2.309128977095115
Energy: 1.668523147356942
Energy: 2.0768463333883593
Energy: 1.642720209853406
Energy: 2.076848595429641
Energy: 1.642720209853406
Energy: 2.0768463796967715
Energy: 1.6427199320967238
Energy: 2.0768452038052843
Energy: 1.6427199320967238
Energy: 2.3091237953097785
Energy: 1.6685173111256442
Energy: 2.007967293261272
Energy: 1.6685173111256442
Energy: 2.0793259326926075
Energy: 1.6685191923116995
Energy: 2.0885795141255814
Energy: 1.6685191923116995
Energy: 2.0616520037981987
Energy: 1.6870162949837604
Energy: 2.326223865697678
Energy: 1.6870162949837604
Energy: 2.0616626002908984
Energy: 1.686954172370666
Energy: 2.3262198246699692
Energy: 1.686954172370666
Energy: 2.1866197470643596
Energy: 1.7896544645066959
Energy: 2.231800801436488
Energy: 1.7896544645066959
Energy: 2.3854532321782984
Energy: 1.789658672512516
Energy: 2.191779559633692
Energy: 1.789658672512516
Energy: 1.7723628074408166
Energy: 1.6870067634999633
Energy: 2.3262285045873434
Energy: 1.6870067634999633
Energy: 2.061659047867714
Energy: 1.6869522150922998
Energy: 2.32621869524661
Energy: 1.6869522150922998
Energy: 1.8567224628761172
Energy: 1.6685141303871796
Energy: 2.190017291331957
Energy: 1.6685141303871796
Energy: 2.0793190110692983
Energy: 1.6685207245196194
Energy: 1.8559915239332152
Energy: 1.6685207245196194
Energy: 1.739593116138515
Energy: 1.711367485229783
Energy: 2.076847293141418
Energy: 1.711367485229783
Energy: 2.083148275461533
Energy: 1.6452965121429588
Energy: 2.0768466627449267
Energy: 1.6452965121429588
Energy: 2.1245205083756455
Energy: 1.6685216022184017
Energy: 2.3091224687975465
Energy: 1.6685216022184017
Energy: 2.007958040551953
Energy: 1.668531616919556
Energy: 2.0853000789818474
Energy: 1.668531616919556
Energy: 2.1960581830931156
Energy: 1.8945086068019272
Energy: 2.1660349628368207
Energy: 1.8945086068019272

minimum gb energy = 1.6427135206887291 eV
minimum distance =  2.42743910488492 Angstroms
sigma value = 37


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

Energy: 2.400203998222731
Energy: 1.6254715116264642
Energy: 2.105854204121204
Energy: 1.6254715116264642
Energy: 1.9768115161333268
Energy: 1.652780569025856
Energy: 2.049592518952945
Energy: 1.652780569025856
Energy: 1.983161682362193
Energy: 1.5399960217251174
Energy: 2.217608223459308
Energy: 1.5399960217251174
Energy: 2.057574099533192
Energy: 1.5863810898393975
Energy: 2.0495867096536147
Energy: 1.5863810898393975
Energy: 2.058575161524482
Energy: 1.540890596728603
Energy: 1.9995605961346306
Energy: 1.540890596728603
Energy: 2.181121127154192
Energy: 1.5332355028780915
Energy: 2.120095315957926
Energy: 1.5332355028780915
Energy: 1.9127136138705936
Energy: 1.5399873169989995
Energy: 1.978213169005244
Energy: 1.5399873169989995
Energy: 1.9127155133286877
Energy: 1.6064555074203077
Energy: 2.064321573923736
Energy: 1.6064555074203077
Energy: 1.9152911873938259
Energy: 1.5408897370200256
Energy: 2.0643311106124203
Energy: 1.5408897370200256
Energy: 2.0575936031882147
Energy: 1.5332303703865509
Energy: 2.0643305004024466
Energy: 1.5332303703865509
Energy: 2.0371305798513304
Energy: 1.5372095675956476
Energy: 1.9428813399373925
Energy: 1.5372095675956476
Energy: 2.0371337390891875
Energy: 1.533223174544241
Energy: 2.064327054017219
Energy: 1.533223174544241
Energy: 1.983236570165454
Energy: 1.5372060610977312
Energy: 2.1773739371744623
Energy: 1.5372060610977312
Energy: 1.9768163253306374
Energy: 1.5372125329739061
Energy: 2.177364557890165
Energy: 1.5372125329739061
Energy: 2.3289454697252028
Energy: 1.6222163233602023
Energy: 1.9995318365633854
Energy: 1.6222163233602023
Energy: 2.120615393378355
Energy: 1.6527747899826193
Energy: 1.9885349581162757
Energy: 1.6527747899826193
Energy: 1.9832257590858529
Energy: 1.537206132511077
Energy: 2.1773616546249235
Energy: 1.537206132511077
Energy: 2.057566174698261
Energy: 1.5372118823320051
Energy: 2.177362658024653
Energy: 1.5372118823320051
Energy: 2.0371362537389124
Energy: 1.537213441858776
Energy: 1.9995429355189513
Energy: 1.537213441858776
Energy: 2.037134415649329
Energy: 1.5332362739866239
Energy: 1.9995758241404487
Energy: 1.5332362739866239

minimum gb energy = 1.533223174544241 eV
minimum distance =  2.45128165262454 Angstroms
sigma value = 25


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

Energy: 2.2760375058315567
Energy: 1.464351156017703
Energy: 1.9331564762251656
Energy: 1.464351156017703
Energy: 1.500616856218954
Energy: 1.5015303787677523
Energy: 1.8571372614083852
Energy: 1.5015303787677523
Energy: 1.7993139523697557
Energy: 1.403306605131725
Energy: 2.220753029055717
Energy: 1.403306605131725
Energy: 1.8985914530191854
Energy: 1.4220436245597148
Energy: 1.8571390048327723
Energy: 1.4220436245597148
Energy: 2.0092753483978374
Energy: 1.3607155421429165
Energy: 1.7906903026699792
Energy: 1.3607155421429165
Energy: 1.8985959421463916
Energy: 1.3860115491816278
Energy: 1.9048830008760924
Energy: 1.3860115491816278
Energy: 1.7503124350467345
Energy: 1.3608748459140856
Energy: 1.9894347401874513
Energy: 1.3608748459140856
Energy: 1.9637974368687758
Energy: 1.3556306740108488
Energy: 1.9622061373676578
Energy: 1.3556306740108488
Energy: 1.825372120339689
Energy: 1.360718875821206
Energy: 1.8298603671717868
Energy: 1.360718875821206
Energy: 1.9638064177132453
Energy: 1.3903167329182096
Energy: 1.8298626141495402
Energy: 1.3903167329182096
Energy: 1.8177997147929021
Energy: 1.3608756351068045
Energy: 1.8378501330186021
Energy: 1.3608756351068045
Energy: 1.9638053906135702
Energy: 1.35563281656601
Energy: 1.9048715324084382
Energy: 1.35563281656601
Energy: 1.7508609829504613
Energy: 1.358899353132126
Energy: 1.9612482635577668
Energy: 1.358899353132126
Energy: 1.9615106731246608
Energy: 1.3556321285046982
Energy: 1.9491593325489602
Energy: 1.3556321285046982
Energy: 1.982325472322112
Energy: 1.3589006127204153
Energy: 1.7907069517807894
Energy: 1.3589006127204153
Energy: 1.8985961599893166
Energy: 1.3589029881783543
Energy: 1.8571399488016276
Energy: 1.3589029881783543
Energy: 1.7993285232447847
Energy: 1.4014148871081742
Energy: 1.99922957093278
Energy: 1.4014148871081742
Energy: 1.794944969672097
Energy: 1.5015540473697102
Energy: 1.9581390298659171
Energy: 1.5015540473697102
Energy: 1.9104286327909676
Energy: 1.4626890394294556
Energy: 1.790681639477297
Energy: 1.4626890394294556
Energy: 1.8923443153541935
Energy: 1.4627030295377366
Energy: 1.8571403377856117
Energy: 1.4627030295377366
Energy: 1.7993167337006044
Energy: 1.4014151434623336
Energy: 1.9992266707694974
Energy: 1.4014151434623336
Energy: 1.8598756176200102
Energy: 1.4198828964525139
Energy: 1.9580523442595894
Energy: 1.4198828964525139
Energy: 1.982328385627782
Energy: 1.3589013484142707
Energy: 1.7906825500550625
Energy: 1.3589013484142707
Energy: 1.8985945273477751
Energy: 1.3588999229336283
Energy: 1.9048704400549612
Energy: 1.3588999229336283
Energy: 1.75030817861772
Energy: 1.3588990663899059
Energy: 1.9612501427010745
Energy: 1.3588990663899059
Energy: 1.8791468020268571
Energy: 1.3556317188665277
Energy: 1.9491448490716048
Energy: 1.3556317188665277

minimum gb energy = 1.3556306740108488 eV
minimum distance =  2.45863793144573 Angstroms
sigma value = 41


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

Energy: 2.0869402039822824
Energy: 1.3372741778024257
Energy: 1.7715343513392732
Energy: 1.3372741778024257
Energy: 1.3878685299770774
Energy: 1.3666429767532737
Energy: 1.7532340258139263
Energy: 1.366642976754297
Energy: 1.6588345511521823
Energy: 1.2903852568486094
Energy: 2.002326185622544
Energy: 1.2903852568486094
Energy: 1.7345732563041167
Energy: 1.3374686386138468
Energy: 1.7532328925006755
Energy: 1.3374686386138468
Energy: 1.9770139637158226
Energy: 1.255405356907173
Energy: 1.6436240357994805
Energy: 1.255405356907173
Energy: 1.734596790276886
Energy: 1.2704248217788416
Energy: 1.784119941642629
Energy: 1.270424821792144
Energy: 1.6981405918367163
Energy: 1.2309731185809256
Energy: 1.9242003424500806
Energy: 1.2309731185809256
Energy: 1.792037750898866
Energy: 1.2617881155921113
Energy: 1.784113660753648
Energy: 1.2617881155921113
Energy: 1.9150594923296567
Energy: 1.2309987481741367
Energy: 1.6715144173259342
Energy: 1.2309987481741367
Energy: 1.7946697141236672
Energy: 1.280276728665083
Energy: 1.7963815094047888
Energy: 1.280276728665083
Energy: 1.7728801221048662
Energy: 1.2309730584933736
Energy: 1.7769391952992843
Energy: 1.2309730584933736
Energy: 1.7899690267846187
Energy: 1.2462469669245997
Energy: 1.796383714962774
Energy: 1.2462469669245997
Energy: 1.7866440643475114
Energy: 1.2309982420857777
Energy: 1.7636217442065931
Energy: 1.2309982420857777
Energy: 1.7920400567838781
Energy: 1.227340130675364
Energy: 1.796381716310314
Energy: 1.227340130675364
Energy: 1.8786236508759293
Energy: 1.229840728688261
Energy: 1.6751169070813472
Energy: 1.229840728688261
Energy: 1.788469532312958
Energy: 1.2273393148179004
Energy: 1.794540857160098
Energy: 1.2273393148179004
Energy: 1.698138443483905
Energy: 1.2298394407610025
Energy: 1.8896365514283378
Energy: 1.2298394407610025
Energy: 1.7345748573267805
Energy: 1.229839170916246
Energy: 1.7841189752420414
Energy: 1.229839170916246
Energy: 1.7774385650743054
Energy: 1.2542576422151357
Energy: 1.6436367834330352
Energy: 1.2542576422151357
Energy: 1.7974095648246051
Energy: 1.311323885107194
Energy: 1.3630287568628348
Energy: 1.311323885107194
Energy: 1.6588691088982745
Energy: 1.28928235929685
Energy: 1.8039028644947712
Energy: 1.28928235929685
Energy: 1.38786586094215
Energy: 1.3471236542413765
Energy: 1.7532440402990954
Energy: 1.3471236542413765
Energy: 1.7190985984740383
Energy: 1.3361524539060983
Energy: 1.643632611964598
Energy: 1.3361524539060983
Energy: 1.7936788340433363
Energy: 1.3623961503608855
Energy: 1.3630284366710002
Energy: 1.3623961503608855
Energy: 1.6588349228970898
Energy: 1.2892827045655926
Energy: 1.8039066707041516
Energy: 1.2892827045655926
Energy: 1.7345866886961205
Energy: 1.2892775843721518
Energy: 1.7532357354424128
Energy: 1.2892775843721518
Energy: 1.7774470256936403
Energy: 1.2542589306712033
Energy: 1.6436388718189958
Energy: 1.2542589306712033
Energy: 1.7974034855152454
Energy: 1.2646530921727486
Energy: 1.7373436806823093
Energy: 1.2646530921727486
Energy: 1.6981479278389595
Energy: 1.2298413580754597
Energy: 1.889635075249032
Energy: 1.2298413580754597
Energy: 1.792039706015319
Energy: 1.2298396290232823
Energy: 1.7841133455082159
Energy: 1.2298396290232823
Energy: 1.8786255483545427
Energy: 1.2298421953725898
Energy: 1.6715145492012542
Energy: 1.2298421953725898
Energy: 1.7884641750383046
Energy: 1.2284887035017589
Energy: 1.8249722220211384
Energy: 1.2284887035017589

minimum gb energy = 1.2273393148179004 eV
minimum distance =  2.4644548039953 Angstroms
sigma value = 15


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

Energy: 1.9166157265173038
Energy: 1.2419328412169528
Energy: 1.641491807244512
Energy: 1.2419328412169528
Energy: 1.6432685179488882
Energy: 1.2869181880189204
Energy: 1.617940563520458
Energy: 1.2869181880189204
Energy: 1.5444398257248029
Energy: 1.1972737288793374
Energy: 1.8588172803449963
Energy: 1.1972737288793374
Energy: 1.6570487928588267
Energy: 1.2225144213223094
Energy: 1.6179304789492108
Energy: 1.2225144213197086
Energy: 1.8297174093314506
Energy: 1.1681803562580402
Energy: 1.5279591622420148
Energy: 1.1681803562580402
Energy: 1.657045622088858
Energy: 1.19692342179884
Energy: 1.6485639062476491
Energy: 1.196923421799707
Energy: 1.5654103644953363
Energy: 1.1470685809637196
Energy: 1.777678951767432
Energy: 1.1470685809637196
Energy: 1.6554283146349518
Energy: 1.4415074701927264
Energy: 1.648561916289801
Energy: 1.4415074701927264
Energy: 1.7622079116722977
Energy: 1.1316740477604967
Energy: 1.549721089823851
Energy: 1.1316740477604967
Energy: 1.655426901762269
Energy: 1.1498404643409472
Energy: 1.6601556316211799
Energy: 1.1498404643409472
Energy: 1.6255588306806212
Energy: 1.1316768363701235
Energy: 1.7337130999049446
Energy: 1.1316768363701235
Energy: 1.661490886758658
Energy: 1.1608597863646506
Energy: 1.660154971735469
Energy: 1.1608597863646506
Energy: 1.7277294803530083
Energy: 1.1316744384626722
Energy: 1.620391506198933
Energy: 1.1316744384626722
Energy: 1.6614922915089152
Energy: 1.140226940922926
Energy: 1.6598012648358726
Energy: 1.140226940922926
Energy: 1.70821594607988
Energy: 1.1316751233707787
Energy: 1.627735346486204
Energy: 1.1316751233707787
Energy: 1.6614902535538252
Energy: 1.1402312464226125
Energy: 1.660157753899278
Energy: 1.1402312464226125
Energy: 1.6330948989328564
Energy: 1.1309428486193505
Energy: 1.714793509866618
Energy: 1.1309428486193505
Energy: 1.6600131322021017
Energy: 1.1289855442681016
Energy: 1.6567285908191618
Energy: 1.1289855442681016
Energy: 1.6558257177157976
Energy: 1.1309420286720133
Energy: 1.55164456431206
Energy: 1.1309420286720133
Energy: 1.6554281813953458
Energy: 1.1505714969893064
Energy: 1.6485614140759894
Energy: 1.1505714969893064
Energy: 1.5654136181732634
Energy: 1.1470683476060022
Energy: 1.6719155277474376
Energy: 1.1470683476060022
Energy: 1.6059480129728836
Energy: 1.181308385952419
Energy: 1.663775520883717
Energy: 1.181308385952419
Energy: 1.6692934125166512
Energy: 1.1674576506519843
Energy: 1.5279581657402737
Energy: 1.1674576506519843
Energy: 1.657050084893915
Energy: 1.238741730032602
Energy: 1.6179317982579597
Energy: 1.238741730032602
Energy: 1.5444647698535696
Energy: 1.197277286752074
Energy: 1.6989447654152117
Energy: 1.197277286752074
Energy: 1.3040340634502599
Energy: 1.2621265043027192
Energy: 1.6788167897054074
Energy: 1.2621265043027192
Energy: 1.6853478529389498
Energy: 1.2412236434713877
Energy: 1.3813971184621003
Energy: 1.2412236434713877
Energy: 1.6432876170248993
Energy: 1.2848316602146452
Energy: 1.6179348552079713
Energy: 1.2848316602146452
Energy: 1.5444459652408713
Energy: 1.197279641838687
Energy: 1.6989487584573089
Energy: 1.197279641838687
Energy: 1.6059497694992513
Energy: 1.211958486153583
Energy: 1.6788159568014183
Energy: 1.211958486153583
Energy: 1.6693025737037515
Energy: 1.1681788786102956
Energy: 1.5279700553178204
Energy: 1.1681788786102956
Energy: 1.657047551160429
Energy: 1.1962254994262298
Energy: 1.648563842691724
Energy: 1.1962254994262298
Energy: 1.5654122056401576
Energy: 1.147070010561422
Energy: 1.6719158429197527
Energy: 1.147070010561422
Energy: 1.6531557246407296
Energy: 1.1519635940837383
Energy: 1.6637714781893636
Energy: 1.1519635940837383
Energy: 1.655825600964555
Energy: 1.1316738512223468
Energy: 1.5949062549566106
Energy: 1.1316738512223468
Energy: 1.6554261692909864
Energy: 1.149832970872409
Energy: 1.6601550929786022
Energy: 1.149832970872409
Energy: 1.6255567551174261
Energy: 1.1316774811408308
Energy: 1.7147954703812636
Energy: 1.1316774811408308

minimum gb energy = 1.1289855442681016 eV
minimum distance =  2.47310447777437 Angstroms
sigma value = 85


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

Energy: 1.9605250697049759
Energy: 1.192773550135993
Energy: 1.5176177086020928
Energy: 1.192773550135993
Energy: 1.5353532647327983
Energy: 1.2143467632440477
Energy: 1.5626516344691446
Energy: 1.2143467632410403
Energy: 1.4336068832362299
Energy: 1.1633824408356053
Energy: 1.905764939404723
Energy: 1.1633824408356053
Energy: 1.535954476423669
Energy: 1.1447646345683575
Energy: 1.5626480501193636
Energy: 1.1447646345683575
Energy: 1.8259890318012213
Energy: 1.1079343452760353
Energy: 1.420520016557795
Energy: 1.1079343452760353
Energy: 1.53594910390189
Energy: 1.3352093112011059
Energy: 1.5440074814937288
Energy: 1.3352093112048649
Energy: 1.451805949716395
Energy: 1.0938063645331428
Energy: 1.7884085626638881
Energy: 1.0938063645331428
Energy: 1.5334503106688384
Energy: 1.076973438602051
Energy: 1.5440009285046261
Energy: 1.076973438602051
Energy: 1.7189052100790212
Energy: 1.0559380178706208
Energy: 1.5169916644202064
Energy: 1.0559380178706208
Energy: 1.5334454674284013
Energy: 1.0590569282585818
Energy: 1.5366495166992438
Energy: 1.0590569282585818
Energy: 1.4961040205227976
Energy: 1.0558962608756846
Energy: 1.6992909386978254
Energy: 1.0558962608756846
Energy: 1.5412600585374376
Energy: 1.0447818046041633
Energy: 1.5366453603999264
Energy: 1.0447818046041633
Energy: 1.679538354698114
Energy: 1.0559353716968796
Energy: 1.5695559444539995
Energy: 1.0559353716968796
Energy: 1.541256724561379
Energy: 1.0580945338405003
Energy: 1.5419083533566953
Energy: 1.0580945338405003
Energy: 1.5621106543281928
Energy: 1.0558965878773827
Energy: 1.67130390671808
Energy: 1.0558965878773827
Energy: 1.5403955083477028
Energy: 1.0448979921152808
Energy: 1.5419060698044929
Energy: 1.0448979921152808
Energy: 1.5806138905463616
Energy: 1.05851414049467
Energy: 1.531337486079913
Energy: 1.05851414049467
Energy: 1.5412761983149683
Energy: 1.0449047280485402
Energy: 1.5419069574906845
Energy: 1.0449047280485402
Energy: 1.5347599777026237
Energy: 1.058516249712673
Energy: 1.588769324594902
Energy: 1.058516249712673
Energy: 1.5372244789988552
Energy: 1.032240522086754
Energy: 1.5381737732482934
Energy: 1.032240522086754
Energy: 1.503312700885094
Energy: 1.0558971750403805
Energy: 1.5361861528155683
Energy: 1.0558971750403805
Energy: 1.5334453549851759
Energy: 1.0447868635438522
Energy: 1.5366495529879138
Energy: 1.0447868635438522
Energy: 1.5548106342036832
Energy: 1.055940800606342
Energy: 1.5169743934635913
Energy: 1.055940800606342
Energy: 1.5469800700403809
Energy: 1.2494147322074294
Energy: 1.5248398968585188
Energy: 1.2494147322074294
Energy: 1.4518055466172817
Energy: 1.09380740890138
Energy: 1.5535851351787835
Energy: 1.09380740890138
Energy: 1.5359470672980666
Energy: 1.1098988915156263
Energy: 1.5440089118838776
Energy: 1.1098988915156263
Energy: 1.5871601800718667
Energy: 1.1079306411017813
Energy: 1.4205336657119074
Energy: 1.1079306411017813
Energy: 1.5699975225245082
Energy: 1.1387194405900687
Energy: 1.5032527978505643
Energy: 1.1387194405900687
Energy: 1.4336127505001415
Energy: 1.1633817054411981
Energy: 1.5834166925079223
Energy: 1.1633817054411981
Energy: 1.5353617838390097
Energy: 1.1974709463400095
Energy: 1.5626648867135209
Energy: 1.1974709463400095
Energy: 1.6345375582893311
Energy: 1.1927725189033054
Energy: 1.4205372322494958
Energy: 1.1927725189025535
Energy: 1.6054505206354046
Energy: 1.1831948427535073
Energy: 1.5032596680379657
Energy: 1.1831948427535073
Energy: 1.4336028754245622
Energy: 1.1633835379587427
Energy: 1.5834157622910543
Energy: 1.1633835379587427
Energy: 1.5359542256396126
Energy: 1.144770271619176
Energy: 1.5626600828211574
Energy: 1.144770271619176
Energy: 1.5871558698928467
Energy: 1.1079340692294033
Energy: 1.4205265895767765
Energy: 1.1079340692294033
Energy: 1.5697467129018243
Energy: 1.0978998384927132
Energy: 1.5248460432081665
Energy: 1.0978998384927132
Energy: 1.4518111639395723
Energy: 1.0938120430971263
Energy: 1.5535850502354012
Energy: 1.0938120430971263
Energy: 1.5334490130050267
Energy: 1.0769740014598719
Energy: 1.544000801818153
Energy: 1.0769740014598719
Energy: 1.554800048182406
Energy: 1.055940775733014
Energy: 1.5169926520092571
Energy: 1.055940775733014
Energy: 1.54697233036898
Energy: 1.048226602047176
Energy: 1.5379425342632187
Energy: 1.048226602047176
Energy: 1.4961032375581031
Energy: 1.0558998239510888
Energy: 1.5361840610520194
Energy: 1.0558998239510888
Energy: 1.5412785920385434
Energy: 1.0447848063991387
Energy: 1.536643257393856
Energy: 1.0447848063991387
Energy: 1.534753926019345
Energy: 1.0354754823170778
Energy: 1.5695577636465994
Energy: 1.0354754823170778

minimum gb energy = 1.032240522086754 eV
minimum distance =  2.47643790344778 Angstroms
sigma value = 113


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

Energy: 0.01956141854514728
Energy: 0.019561622651549305
Energy: 2.009784794464092
Energy: 0.019561622651549305
Energy: 0.01956145373266981
Energy: 1.4910974747062335
Energy: 0.01956145373266981
Energy: 1.4910974747062335
Energy: 1.6066665320606728
Energy: 0.019561622651549305
Energy: 0.01956141854514728
Energy: 0.019561622651549305
Energy: 0.01956145373266981
Energy: 1.4910974747062335
Energy: 0.01956145373266981
Energy: 1.4910974747062335
Energy: 0.01956141854514728
Energy: 0.019561622651549305
Energy: 2.009784794464092
Energy: 0.019561622651549305
Energy: 0.01956145373266981
Energy: 1.4910974747062335
Energy: 0.01956145373266981
Energy: 1.4910974747062335

minimum gb energy = 0.01956141854514728 eV
minimum distance =  2.72820839946667 Angstroms
sigma value = 1