Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604128666222096
cohesive_energy=4.173343107524021
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016225660144948965
Energy: 0.01664934554475226
Energy: 1.0257213387279016
Energy: 0.01664934554475226
Energy: 0.01664934554475226
Energy: 1.4756796642135666
Energy: 0.01664934554475226
Energy: 1.4756796642141627
Energy: 1.0257213387279016
Energy: 0.01664934554534821
Energy: 0.016225660144948965
Energy: 0.01664934554475226
Energy: 0.01664934554475226
Energy: 1.4756796642141627
Energy: 0.01664934554475226
Energy: 1.4756796642141627

minimum gb energy = 0.016225660144948965 eV
minimum distance =  2.47503285472532 Angstroms
sigma value = 1


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

Energy: -1.089924045636887
Energy: -1.2091578984465006
Energy: -3.7751446498326007
Energy: -1.280273259300763
Energy: -2.936065227406371
Energy: -2.8508948576696693
Energy: -2.2874206830319634
Energy: -3.054117549297237
Energy: -3.59541532577036
Energy: -2.7841589356086742
Energy: -3.2337786282696834
Energy: -3.16575789019154
Energy: -3.5382676620272537
Energy: -2.6818600837454714
Energy: -2.837010314211198
Energy: -2.0920398196635337
Energy: -3.757654212210043
Energy: -1.9469570946385455
Energy: -4.053933269067167
Energy: -2.8276511177800376
Energy: -2.3215421724253225
Energy: -2.3331074161528305
Energy: -3.644312539940804
Energy: -2.155809594500912
Energy: -2.565207590107753
Energy: -2.833939869630746
Energy: -3.09714075314862
Energy: -2.4622277102236905
Energy: -3.612918034712978
Energy: -2.7738364605129657
Energy: -3.365929445947764
Energy: -2.7633996275319297
Energy: -2.6812391795738786
Energy: -2.7404698805814034
Energy: -3.358566216130161
Energy: -2.8914109330611146
Energy: -3.304548248571883
Energy: -0.18904696939709836
Energy: -3.3873385174179353
Energy: -0.1822645384589882
Energy: -2.3622161028384436
Energy: -2.1415670996587517
Energy: -1.8198970857324015
Energy: -2.861520852337214
Energy: -4.299622222961089
Energy: -3.2635785630544523
Energy: -3.7030510915703894
Energy: -2.9118001713629718
Energy: -2.568362501134641
Energy: -2.544778512434589
Energy: -1.9298037935603802
Energy: -3.182199505577904
Energy: -2.988500758263698
Energy: -2.6552541895609996
Energy: -3.5166435587212495
Energy: -2.3742833874365896
Energy: -3.387861403307979
Energy: -2.5533323810301636
Energy: -1.666341566194684
Energy: -2.23318365888876
Energy: -3.6159537531200434
Energy: -2.3264850638149968
Energy: -1.974903847480588
Energy: -1.6669841987198797
Energy: -3.112112926212368
Energy: -2.7193668380210063
Energy: -3.3493055984126308
Energy: -3.0639250980233776
Energy: -2.5387659474013664
Energy: -3.2580590031595724
Energy: -2.6997176859712138
Energy: -2.8216676700611765
Energy: -3.661848720332114
Energy: -2.460359602296263
Energy: -3.289845935007954
Energy: -2.950670369119561
Energy: -1.870430227082455
Energy: -3.6383753047474867
Energy: -2.162316708408855
Energy: -2.1693195740410744
Energy: -3.9611483678038577
Energy: -2.532271376377617
Energy: -3.047029490519956
Energy: -2.3799903793263
Energy: -2.4092914545914232
Energy: -2.2399016095283892
Energy: -3.9099024756187575
Energy: -2.0692711447822254
Energy: -4.098822779819079
Energy: -3.038950704736803
Energy: -3.3536646860151142
Energy: -2.227271898381673
Energy: -3.4754402607841812
Energy: -2.9747848137919712
Energy: -1.241861253061695
Energy: -2.642155547901104
Energy: -2.4342016942193005
Energy: -1.87806578737985
Energy: -2.348089145924475
Energy: -2.030790181121434
Energy: -3.566178408886509
Energy: -0.4919112991568867
Energy: -3.5515695658419983
Energy: -0.49191613508750603
Energy: -3.5943956777913786
Energy: -2.233862411958876
Energy: -3.3266644604535087
Energy: -2.4954979205385968
Energy: -3.3970735257871874
Energy: -2.7667500754655254
Energy: -2.71058242542121
Energy: -3.0444486855158885
Energy: -2.7769692089065154
Energy: -2.638648149656636
Energy: -3.5889616306202305
Energy: -2.381790764337048
Energy: -1.31180184994513
Energy: -0.5825440683826882
Energy: -3.828953141724612
Energy: -0.5825438975423106
Energy: -1.6925530842249406
Energy: -2.3731636989461764
Energy: -2.964673154380759
Energy: -2.7911322708716693
Energy: -4.020213758227297
Energy: -2.395234087368288
Energy: -3.140997218263811
Energy: -1.9702974414680348
Energy: -3.2642701451445433
Energy: -2.0190713326232896
Energy: -3.2221221893275445
Energy: -2.7099037139367748

minimum gb energy = -4.299622222961089 eV
minimum distance =  2.29791514610176 Angstroms
sigma value = 1


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

Energy: -1.1892974589519
Energy: -0.5490407931169073
Energy: -3.099769607779221
Energy: -0.7417461361106281
Energy: -3.3387631655013905
Energy: -3.279952922180641
Energy: -3.1368640580383955
Energy: -3.173174056108868
Energy: -2.8947391519146533
Energy: -0.9145676942277323
Energy: -2.4228770649945743
Energy: -1.6210889160475008
Energy: -2.980584276048154
Energy: -1.9810362698985997
Energy: -1.455726867084281
Energy: -1.8946466151500791
Energy: -3.489810431089311
Energy: -1.9656468062957324
Energy: -2.28111971033737
Energy: -1.993911130465987
Energy: -3.4994869830469715
Energy: -2.216841708028091
Energy: -1.4738468562091254
Energy: -2.3563861162807402
Energy: -3.3193280966417062
Energy: -2.057314071814464
Energy: -1.4471856071552827
Energy: -2.272365235008417
Energy: -2.7839780950564115
Energy: -1.0436090634435946
Energy: -2.1502110831089
Energy: -0.8879977089166553
Energy: -3.0516623557473532
Energy: -1.2423669894242875
Energy: -3.6162796834947333
Energy: -1.49966405923029
Energy: -2.748975792876916
Energy: -0.8815694897699453
Energy: -3.3692016283714
Energy: -0.7362530989582542
Energy: -3.8772768189610454
Energy: -1.8665976526957404
Energy: -2.53072485087454
Energy: -1.9517018587048682
Energy: -3.170674077545056
Energy: -0.9118493536342709
Energy: -1.9778334352135936
Energy: -0.7699257229939682
Energy: -0.9810908075012583
Energy: -1.905313555514409
Energy: -2.033102069045993
Energy: -2.0769183839310155
Energy: -1.0056671393196803
Energy: -2.0232278454219186
Energy: -1.7312281625621864
Energy: -1.8393286649202079
Energy: -3.0888126512416236
Energy: -1.2433797602994758
Energy: -1.573400006872602
Energy: -0.8295309928536707
Energy: -3.504375354382223
Energy: -2.2006660903800155
Energy: -3.3378000059413058
Energy: -2.3427231886955564
Energy: -2.3819325006406404
Energy: -0.7645317959622407
Energy: -3.0642775691025044
Energy: -0.7328218314827015
Energy: -3.475565785695801
Energy: -1.7100313085636145
Energy: -3.3131554455428662
Energy: -1.2650688127250698
Energy: -3.3071161084077008
Energy: -1.7003129934235817
Energy: -3.4482203132316953
Energy: -0.7648901155209218
Energy: -3.356416898693805
Energy: -2.4511957689476045
Energy: -2.1108749923540127
Energy: -2.9443587450800086
Energy: -3.101994020056099
Energy: -2.1826628534247905
Energy: -2.100741915910235
Energy: -1.8307722279386827
Energy: -3.464324329898865
Energy: -1.7711148039821694
Energy: -2.5246491492862493
Energy: -2.154989845233485
Energy: -3.2075164826461005
Energy: -1.8383209779600356
Energy: -2.7079691571946345
Energy: -2.4061549854377926
Energy: -3.2013642283565353
Energy: -0.9984688496878331
Energy: -2.622477413510796
Energy: -0.9338631522528885
Energy: -3.261056936504871
Energy: -1.864892277505052
Energy: -3.479284793840611
Energy: -2.1506775716297906
Energy: -0.5442133890735931
Energy: -0.6779854962861721
Energy: -3.2573294724473536
Energy: -0.5790443184345823
Energy: -3.41618275906533
Energy: -2.6633683118160474
Energy: -2.686633704809512
Energy: -2.6572681404504266
Energy: -3.1514477763968114
Energy: -0.8370848702497181
Energy: -2.7912646375351255
Energy: -0.759955334754248
Energy: -3.2480827095877993
Energy: -2.38950382876274
Energy: -2.7814360967865857
Energy: -2.4728845278752396

minimum gb energy = -3.8772768189610454 eV
minimum distance =  2.2737367372282 Angstroms
sigma value = 25


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

Energy: -0.480442247205609
Energy: 0.3500019634472033
Energy: -1.6850520368101372
Energy: 0.35000236408990415
Energy: -2.5389263504543123
Energy: -1.8371468202549492
Energy: -2.7639293653350623
Energy: -1.5134768459712797
Energy: -1.9650941848541366
Energy: -0.09365012199219243
Energy: -2.8917358455449005
Energy: -0.03978774247075552
Energy: -3.0565578698100384
Energy: -0.025636767297198295
Energy: -0.7869382716250988
Energy: 0.06786070208282188
Energy: -2.322266231747875
Energy: -0.14893564976915985
Energy: -2.056895562483484
Energy: 0.18952848765510177
Energy: -3.0887031359045984
Energy: 0.09769836216241194
Energy: -2.914526855088135
Energy: 0.09770113342286972
Energy: -0.6212486734839212
Energy: -3.1017924331064197
Energy: -0.6826383984332145
Energy: -2.771607433080305
Energy: -2.7277538761934057
Energy: 0.2846036357590154
Energy: -1.0141409923480673
Energy: 0.3587639332190685
Energy: -0.7459847970625482
Energy: -2.0613530537916582
Energy: -3.0689607330670747
Energy: -1.734930418356327
Energy: -2.7074117249665925
Energy: -0.021874060277540592
Energy: -2.488555285018884
Energy: -0.14624429998435368
Energy: -2.9420600872503337
Energy: 0.22320674732303647
Energy: -2.509086705892476
Energy: 0.21079948320159092
Energy: -2.358001668829876
Energy: 0.30515303478359085
Energy: -2.7552942744173583
Energy: 0.3245112558668104
Energy: -2.8218205311006366
Energy: 0.05081355056143285
Energy: -2.5059789670867314
Energy: -0.01631716406604985
Energy: -0.6558686318425796
Energy: -1.119373824177127
Energy: -2.7167633769452406
Energy: -1.330712039258712
Energy: -2.3279623234911258
Energy: 0.23480650169346715
Energy: -1.2523373759112495
Energy: 0.2965324256849599
Energy: -2.7647486467918734
Energy: -2.9036662102426014
Energy: -0.7706216253142522
Energy: -2.9317729226129736
Energy: -2.1269960877689047
Energy: -0.024238995466594755
Energy: -1.6393029640059646
Energy: 0.0466338128316801
Energy: -2.116289699770976
Energy: 0.21100409362618053
Energy: -3.037833348934419
Energy: 0.10498901191197747
Energy: -2.82253500938924
Energy: 0.03419344386971531
Energy: -2.401263816370044
Energy: 0.07698645227357367
Energy: -3.038921012447272
Energy: -0.040366732674459546
Energy: -2.9928229126808756
Energy: -0.06123199876392097
Energy: -0.7618878201883589
Energy: -1.3418015798968066
Energy: -0.6072647814776355
Energy: -1.565411975046095
Energy: -0.7083022626374647
Energy: 0.24306520613889968
Energy: -2.732839851106122
Energy: 0.1950254798427105
Energy: -2.7087273623865658
Energy: -0.7208437405573523
Energy: -2.833334190891114
Energy: -0.8024360125731604
Energy: -2.1785532329733277
Energy: 0.005416235977029481
Energy: -2.6115195300705496
Energy: -0.05153305598071555
Energy: -2.6075929063342373
Energy: -0.6485895956459342
Energy: -2.02900107645265
Energy: -0.8175792459353476

minimum gb energy = -3.1017924331064197 eV
minimum distance =  2.27897392269689 Angstroms
sigma value = 9


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

Energy: -0.26124457828950076
Energy: 0.08196171253374455
Energy: -1.6691170822146766
Energy: 0.12299602333667137
Energy: -0.20691406524441727
Energy: -1.815543900684501
Energy: -2.116428536255112
Energy: -1.7933105204266584
Energy: 0.04608514883336845
Energy: 0.3778485981093115
Energy: -2.236150973077951
Energy: 0.3778888029295744
Energy: -0.31621094067829814
Energy: 0.2290280900913113
Energy: -0.18494595214823617
Energy: 0.15574037743397545
Energy: -2.328857343510464
Energy: 0.5401380952511493
Energy: -2.2726189639755394
Energy: 0.3127298882623
Energy: -1.1992918667014933
Energy: 0.39989744249437215
Energy: -0.1704934756090844
Energy: 0.3841064311218453
Energy: -0.28038532716770126
Energy: -0.3882946224325168
Energy: -0.24574659171022328
Energy: -0.30156161401772874
Energy: -1.2775308677086488
Energy: 0.41496764373751327
Energy: -0.20043256944278115
Energy: 0.41439480631294706
Energy: -2.3888970990173855
Energy: 0.1000093869028061
Energy: -2.0615638217553434
Energy: -0.5238960725931802
Energy: -0.17496780409906834
Energy: 0.306348503892255
Energy: -0.24201658600706255
Energy: 0.4587887880692814
Energy: -0.012823249461921494
Energy: 0.4543141284100245
Energy: -0.11836271701811112
Energy: 0.5497654153864205
Energy: -0.20898199902402398
Energy: -0.4581018393045802
Energy: -0.31909095082763994
Energy: -0.8193427284571683
Energy: 0.11857871982351025
Energy: 0.22601343210664013
Energy: -1.7186659506277442
Energy: 0.26369138992355845
Energy: -0.39278389823863363
Energy: -0.12117722693862985
Energy: -2.21845332480751
Energy: -0.12899597296864754
Energy: 0.0539929494155956
Energy: 0.24399683212205725
Energy: -1.3549411084591783
Energy: 0.14108280691592237
Energy: -0.3202429274999519
Energy: -0.38835648263440553
Energy: -0.4866757650553655
Energy: -0.6694774123250796
Energy: -0.04094303111076688
Energy: 0.566134349693986
Energy: -2.259985198705978
Energy: 0.5411009778823926
Energy: -0.3892908298436681
Energy: 0.24750194062108388
Energy: -0.23580506867517154
Energy: 0.4416455037187556
Energy: -2.4060080047891903
Energy: -0.10338353939166024
Energy: -2.2141185102693592
Energy: -0.04571821490738011
Energy: -1.3547359796599552
Energy: 0.3584721808926734
Energy: -0.16500036936205745
Energy: 0.37585999635220635
Energy: -2.6278231236623673
Energy: -0.5625786449744544
Energy: -0.19864009331090063
Energy: -0.2660023840550813

minimum gb energy = -2.6278231236623673 eV
minimum distance =  2.28227972827786 Angstroms
sigma value = 25


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

Energy: 0.08460092601642999
Energy: -0.056995675217512864
Energy: -2.566503749067644
Energy: 0.7017409798650651
Energy: 0.28906015359872445
Energy: 0.7686580213357712
Energy: 0.36665591025060673
Energy: 0.7956458125579061
Energy: 0.5823546541670074
Energy: 0.7072535849977302
Energy: 0.4958854586088979
Energy: 0.7072501480356699
Energy: 0.27230407440798027
Energy: 0.24279985745471572
Energy: -0.19222382587082293
Energy: 0.7521821107752564
Energy: -0.3775653123474085
Energy: 0.4057534275291516
Energy: -2.093606132327657
Energy: 0.6081163941400007
Energy: 0.6172880604001029
Energy: 0.5326021790712279
Energy: 0.5753463644827468
Energy: 0.5530660425999826
Energy: 0.38243544698633697
Energy: -0.42357356116825606
Energy: 0.5833783427201708
Energy: 0.6908239576671902
Energy: -0.05204999854326831
Energy: -0.4590502472448831
Energy: 0.07135679688387386
Energy: -0.33126770091197383
Energy: 0.5020450590320612
Energy: 0.3241893106472418
Energy: 0.46210540605936684
Energy: 0.507903636386865
Energy: -0.13017228297423708
Energy: 0.6671656606835568
Energy: 0.5027259249915902
Energy: 0.6675804266639946
Energy: -1.0857603840724743
Energy: -0.6943765489463317
Energy: -0.786902151526398
Energy: -0.6302118247839982
Energy: 0.15030155763705763
Energy: -0.0005062589975303218
Energy: 0.0016588576289642007
Energy: 0.1637651842352621
Energy: -1.294092247640732
Energy: 0.24163989435020863
Energy: 0.6058442858150035
Energy: 0.35536321551750205
Energy: 0.3303503313954365
Energy: -0.8223896098907748
Energy: 0.2690994005366428
Energy: -0.695380748982418
Energy: 0.35152196685157083
Energy: -0.7872427551858894
Energy: -1.1702838359694243
Energy: -0.7254774442521136
Energy: 0.3750948075279818
Energy: 0.7916592912661874
Energy: 0.3375872056130321
Energy: 0.5865654412184956
Energy: 0.4335133425206661
Energy: 0.39715129683834033
Energy: -0.38786524003668943
Energy: 0.33548525214910013

minimum gb energy = -2.566503749067644 eV
minimum distance =  2.29155849272384 Angstroms
sigma value = 17


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

Energy: -0.6233510759220346
Energy: -2.0819031389175615
Energy: -1.2408199040188808
Energy: -1.8262392278304802
Energy: -1.8495890140532463
Energy: -2.540267324198876
Energy: -1.9085448185514096
Energy: -2.386044642492428
Energy: -2.040758769431711
Energy: -1.411246037948528
Energy: -2.326384179868306
Energy: -2.10091429013825
Energy: -2.562013107505375
Energy: -1.1686711296883967
Energy: -1.926057741514786
Energy: -1.375545194089067
Energy: 0.031687271119585775
Energy: -0.8964278546615396
Energy: -1.7741860946483108
Energy: -1.393298150881687
Energy: -2.3084512116363887
Energy: -1.6242437896155506
Energy: -1.7690478137552685
Energy: -1.4318811558892799
Energy: -2.5193224048669483
Energy: -1.9898681044734334
Energy: -1.9694202636213305
Energy: -1.9282430502687984
Energy: -2.0365627564247633
Energy: -2.2819440487487284
Energy: -2.0083986377953384
Energy: -1.8378445037524576
Energy: -2.3968309901749856
Energy: -1.4510112379575641
Energy: -2.035239978998027
Energy: -1.711545198429852
Energy: -1.2555747140552738
Energy: -0.39907442002327537
Energy: -2.172346366137169
Energy: -0.5864473341885925
Energy: -1.7001504160212395
Energy: -2.1659438776181204
Energy: -1.7042559002230833
Energy: -2.1659958108975186
Energy: -2.326667554601049
Energy: -2.3760465390248653
Energy: -1.6098109467983077
Energy: -2.4080426607907475
Energy: -2.105853878330051
Energy: -2.6649614335492835
Energy: -1.2330116526659696
Energy: -2.2682727840446786
Energy: -2.0386422425725685
Energy: -1.845974025841832
Energy: -1.7613630754580125
Energy: -1.7249622402427978
Energy: -2.6144175993451757
Energy: -2.036952541645641
Energy: -2.366293811917254
Energy: -1.5149409193932903
Energy: -1.6805072315775342
Energy: -2.409482396058929
Energy: -1.8024778025257953
Energy: -2.239939273128837
Energy: -2.2739361364331128
Energy: -1.8474772730277043
Energy: -0.8581465220111866
Energy: -2.0692420458662255
Energy: -2.248695646999739
Energy: -1.7649876963607203
Energy: -2.10959581580671
Energy: -1.9271706051888384
Energy: -1.4200918313133422
Energy: -1.9115839875556395
Energy: -2.2704638729516318
Energy: -0.7449771406655071
Energy: -2.012040545304872
Energy: -2.0007012478633657
Energy: -2.093495114817042
Energy: -1.9803380978008633
Energy: -2.6109206927512014
Energy: -1.7941553019389433
Energy: -2.157496481988036
Energy: -2.201943090498087
Energy: -1.8987125365455673
Energy: -1.8160952034125883
Energy: -0.6230124430061796
Energy: -1.3847471811287397
Energy: -2.417703331257988
Energy: -1.8503681488334807
Energy: -2.2036560890308445
Energy: -2.0148062106041977
Energy: -2.2400164009488632
Energy: -0.4531809745403163
Energy: -2.002604624856857
Energy: -0.8650784490941568
Energy: -1.9772533776030998
Energy: -1.9568769858784878
Energy: -1.9022221356731492
Energy: -2.3130257108598324
Energy: -2.328266902812779
Energy: -2.392780875267091
Energy: -2.4841604513524533
Energy: -1.8537163472580753
Energy: -2.3688262106296634
Energy: -2.4362949851655165
Energy: -0.4031744826811811
Energy: -2.19288721633273
Energy: -1.7622256452455205
Energy: -2.2444873583965226
Energy: -2.5058493401641653
Energy: -2.132543735241833
Energy: -0.976335527847915
Energy: -0.6892580431333123
Energy: -2.3057090492813703
Energy: -0.691745689920181
Energy: -1.6902708903511627
Energy: -1.0442639875385278
Energy: -0.9729414049860976
Energy: -1.1688928543524968

minimum gb energy = -2.6649614335492835 eV
minimum distance =  2.30473099467789 Angstroms
sigma value = 53


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

Energy: 0.7291720195106314
Energy: 0.8290255121710184
Energy: -2.158186026948803
Energy: 0.8289337319390451
Energy: 0.40186636821006005
Energy: 1.0428780863556917
Energy: -1.925684660688201
Energy: 1.0428751290187535
Energy: 0.7483176244933414
Energy: 0.9658622042547884
Energy: 0.6815323246033727
Energy: 0.9660320117761559
Energy: 0.7724180999339237
Energy: 0.9519661269347496
Energy: -2.2530980547537096
Energy: 0.9003059858439559
Energy: 0.42812360652523546
Energy: 0.9790991073603617
Energy: -2.1001967184473433
Energy: 0.9772777329266104
Energy: 0.7601255641412469
Energy: 0.8290199437095197
Energy: -1.4328303052501163
Energy: 0.8291640345887582
Energy: 0.5120906678396143
Energy: 1.042875556613327
Energy: 0.728622446583199
Energy: 1.042875489103041
Energy: 0.6496280839335002
Energy: 0.9659803893783937
Energy: 0.45664633440547475
Energy: 0.9659213006321367
Energy: 0.7402178901448095
Energy: 0.903938616522163
Energy: 0.7731253747774856
Energy: 0.931732083503392
Energy: 0.4820838317732811
Energy: 0.9788755255222248
Energy: -2.078826418352783
Energy: 0.9787714233668952
Energy: 0.7426640441345069
Energy: 0.8291414537646528
Energy: -1.538358112748528
Energy: 0.8240567405509838
Energy: 0.2895636111338489
Energy: 1.0428725509833772
Energy: 0.7484028451954473
Energy: 1.0428699068789369
Energy: 0.6828962073958734
Energy: 0.9658725788827434
Energy: 0.7509312339528096
Energy: 0.9657866155452757

minimum gb energy = -2.2530980547537096 eV
minimum distance =  2.31340844844703 Angstroms
sigma value = 9


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

Energy: -0.7697615023501189
Energy: -0.4200533894482419
Energy: -1.7610978199128584
Energy: -0.39852702286407743
Energy: -1.5094757141888848
Energy: -1.3226650642035096
Energy: -1.0142068695223925
Energy: -1.3228047944316375
Energy: -1.2798603762557643
Energy: -1.1149754695984149
Energy: -1.2362038477809267
Energy: -1.114438682639264
Energy: -1.624349026651221
Energy: -1.0393650400542178
Energy: -1.3976328450328597
Energy: -1.7681740652041615
Energy: -1.712707613178623
Energy: -0.9041195524165976
Energy: -0.3766814819521429
Energy: -0.90411889012891
Energy: -1.680417835437718
Energy: -1.4001632125471792
Energy: -1.5328800178531063
Energy: -1.3887158436978335
Energy: -1.531027148613664
Energy: -0.9366055792131915
Energy: -1.4193988343262058
Energy: -0.9366055790745437
Energy: -1.0852737410863975
Energy: -1.0460982113760924
Energy: -1.3734397902524087
Energy: -1.0414454814014118
Energy: -1.592663281586416
Energy: -0.7176525843930998
Energy: -1.4320950522818054
Energy: -0.7393325221190462
Energy: -1.101812110973742
Energy: -0.9404400008515161
Energy: -1.572364158433108
Energy: -0.9404393070744018
Energy: -1.0523689321184864
Energy: -1.216927854118923
Energy: -1.2049913091599787
Energy: -1.3006238547105284
Energy: -0.7820236534120235
Energy: -0.8634527335719819
Energy: -1.1436175292368864
Energy: -0.863453268961494
Energy: -1.3610817114436142
Energy: -1.4568920833920207
Energy: -1.290357467905757
Energy: -1.1807794815426464
Energy: -1.4620954401695148
Energy: -0.9649185109574564
Energy: -0.8617127555168881
Energy: -1.1042466948754783
Energy: -1.0897763698717087
Energy: -0.9366021553333814
Energy: -1.3631452175231689
Energy: -0.93660215702893
Energy: -0.46470660584363177
Energy: -1.0485620188005478
Energy: -0.35654702187346543
Energy: -0.7172780243890615
Energy: -1.0188535658498115
Energy: -0.6291272098705741
Energy: -1.2233581268409919
Energy: -0.6291267765283028
Energy: -1.1442067197513917
Energy: -1.0073436329298968
Energy: -1.2259004254608037
Energy: -1.0070896269688054
Energy: -1.7503336852926563
Energy: -0.9608486198536363
Energy: -1.4527191038806846
Energy: -0.9608486261470183
Energy: -1.2822657310331953
Energy: -1.6212638764036378
Energy: -1.0037163350854328
Energy: -1.3063553154772953
Energy: -1.3797964824313131
Energy: -1.2275841123430535
Energy: -1.2725221135439584
Energy: -0.9036385199177149
Energy: -0.8893049525238601
Energy: -1.0116144916938623
Energy: -1.0015504669613513
Energy: -0.9582180639221963
Energy: -1.2161861115645163
Energy: -0.9256468978111079
Energy: -1.3238280107475318
Energy: -0.9251113901160462
Energy: -1.4987847366071452
Energy: -0.9676763876368459
Energy: -1.4114530076926042
Energy: -0.9678865719184245
Energy: -0.9827628133344138
Energy: -0.9100129825899009
Energy: -0.5750491499676844
Energy: -0.9100048696410571
Energy: -1.6486729897494639
Energy: -2.2555920138178442
Energy: -1.3628841608152553
Energy: -1.4307015507116299
Energy: -1.3378418153511598
Energy: -0.7434476821866223
Energy: -1.8263419926263522
Energy: -0.640665124660127
Energy: -1.2128257472210895
Energy: -0.8800632649323135
Energy: -1.5691561512903756
Energy: -0.8800640274670509
Energy: -1.9331284777640594
Energy: -1.074566358273355
Energy: -2.076186302713903
Energy: -1.0745655770511477
Energy: -1.8962265201438033
Energy: -1.0008586563984099
Energy: -0.7276731064637622
Energy: -1.002202910695312
Energy: -1.5219369267615157
Energy: -0.9875462154371814
Energy: -1.1437591722901475
Energy: -0.987562279817644
Energy: -1.2737467351558918
Energy: -0.8489028873592119
Energy: -1.4258986413338661
Energy: -0.8489028533838384
Energy: -1.316895832510246
Energy: -1.1044807879975331
Energy: -1.8858593114454218
Energy: -1.1346157750319743
Energy: -2.008125522828005
Energy: -0.8440226365255721
Energy: -0.9548962874817026
Energy: -0.8401218548542029
Energy: -1.0552960346552662
Energy: -0.8268761460429521
Energy: -0.9967896790869336
Energy: -0.8268740460753444

minimum gb energy = -2.2555920138178442 eV
minimum distance =  2.31387644181156 Angstroms
sigma value = 73


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

Energy: -1.0027100782353617
Energy: -0.9164032541819762
Energy: -1.4011662106341451
Energy: -0.6182349828005946
Energy: 0.41510569360806093
Energy: -0.32756599796323
Energy: -1.4860555701534237
Energy: -0.72169409117751
Energy: -1.633850236559281
Energy: -0.9311640435902996
Energy: -1.022311095872003
Energy: -0.958059748048039
Energy: -0.9733451733669408
Energy: -0.8763854080818966
Energy: -1.1984567532373842
Energy: -0.029406963752473373
Energy: -1.2282909679021528
Energy: -0.6530693166122614
Energy: -0.8247484735469965
Energy: -1.134251426978905
Energy: -1.415103195658107
Energy: -0.9401353812661155
Energy: -1.1064570774704323
Energy: -1.2286163365902723
Energy: 0.5119327231124446
Energy: -0.998241072602071
Energy: -1.2432430661895928
Energy: -0.7884740812515924
Energy: -1.1549192367445853
Energy: -0.7741454359175405
Energy: -0.8338972577635898
Energy: -1.052409913081803
Energy: -0.6566894138598554
Energy: -1.3201545919381186
Energy: -1.5002901139132883
Energy: -1.5182212381166174
Energy: -1.277901435357937
Energy: -0.9778775576952937
Energy: -1.579470852652091
Energy: -0.5880284698058232
Energy: -0.9434423779567948
Energy: -0.08912287574904361
Energy: -1.0512814273344853
Energy: -1.0816505826968816
Energy: -0.07408246106840913
Energy: -0.8755875899171996
Energy: -1.633424347406387
Energy: -0.7026715993468098
Energy: -1.1987057831507173
Energy: -1.1120848038720486
Energy: -0.8064908719080668
Energy: -0.8064496896097479
Energy: -1.3988194317804628
Energy: -0.4626813725215805
Energy: -1.3815191430636216
Energy: -0.4613541392632554
Energy: -0.8800989225661079
Energy: 0.030422546055370276
Energy: -1.2671213487979591
Energy: 0.37452050827715266
Energy: -0.9696185219312555
Energy: -1.1823097004532825
Energy: -0.9808670011299754
Energy: -1.289474233271552
Energy: -0.7715231027293721
Energy: -0.04989326566955389
Energy: -1.488657415959804
Energy: -0.10431737262556101
Energy: -0.06706743340703328
Energy: -0.47893629466304555
Energy: -0.9251734516981418
Energy: -0.7472384499805012
Energy: -1.4589296776898013
Energy: -0.5291072471919194
Energy: -1.1886960111058484
Energy: -0.8790331304461002
Energy: -1.5168762268556617
Energy: 0.133448273557578
Energy: 0.3153263967132134
Energy: 0.05857772251151973
Energy: -1.173140009816624
Energy: -1.0699377279968
Energy: -1.0681858757819191
Energy: -0.939250304597781
Energy: -1.13686860915284
Energy: -0.39336687535115494
Energy: -1.1618003205925418
Energy: -0.8461986729930656

minimum gb energy = -1.633850236559281 eV
minimum distance =  2.29943637581891 Angstroms
sigma value = 7


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

Energy: -0.6307514748240483
Energy: -0.4945191372577544
Energy: -1.5919776578793727
Energy: -0.7212976167869627
Energy: -0.20771181292519095
Energy: -0.4177904296046349
Energy: -1.3270922369903153
Energy: -0.34093021661879136
Energy: -1.100424144092618
Energy: -0.9569801861536777
Energy: -1.2412644403048039
Energy: -0.470896929999651
Energy: -1.2245968638279625
Energy: -0.26703664105019564
Energy: -2.0553115351387885
Energy: -0.40264560477910677
Energy: -1.2504550776837389
Energy: -0.5971673285311904
Energy: -1.2228205946564867
Energy: -0.6711693646584461
Energy: -1.2277735142805217
Energy: -0.8739607613382655
Energy: -0.9317936992970042
Energy: -0.8972094082826291
Energy: -0.17777180912873908
Energy: -1.0983444913681402
Energy: -0.9451099387084144
Energy: -1.0407389961826048
Energy: -1.4106454267628585
Energy: -0.5933160988468826
Energy: -0.9568667903153832
Energy: -0.5933151597327421
Energy: -1.431142007745771
Energy: -1.021501332963989
Energy: -1.1378429645201578
Energy: -1.3774943509320616
Energy: -1.0825246943255273
Energy: -0.5232282520069337
Energy: -0.3933616103503443
Energy: -0.9138756108886317
Energy: -1.91125077018873
Energy: -0.5557210006033322
Energy: -1.4264634574582113
Energy: -0.5456307059205014
Energy: -0.8880725004368869
Energy: -0.48832339664496655
Energy: -0.9298913427352402
Energy: -0.4882834706888811
Energy: -1.6816112998232409
Energy: -0.45681307570265894
Energy: -1.309950715839393
Energy: -0.7010964984713486
Energy: -1.3026331104275932
Energy: -1.4996049852956166
Energy: -0.9820952128335683
Energy: -1.5593215796792397
Energy: -0.9942550474721081
Energy: -0.7149652822811028
Energy: -0.13867497423905006
Energy: -0.20000966910870496
Energy: -1.517977868724347
Energy: -1.1217603230610385
Energy: -1.0055972256368493
Energy: -1.1467541316414986
Energy: -1.0994019023455293
Energy: -0.7089490607810134
Energy: -2.084637712112128
Energy: -0.647025334274539
Energy: -1.1700496473873938
Energy: -0.621477455763614
Energy: -1.4548664322674227
Energy: -1.5541155485580573
Energy: -1.0209585877769571
Energy: -0.41019757180163613
Energy: -2.18818031044825
Energy: -0.7577495079917704
Energy: -1.407219915465914
Energy: -0.9851300893775398
Energy: -1.5318053324087737
Energy: -0.915235828140848
Energy: -1.0466757001639848
Energy: -0.5160935850014733
Energy: -2.2039169224981405
Energy: -0.516051004508227
Energy: -1.638441173400569
Energy: -0.38845087751209106
Energy: -0.5465331987870687
Energy: -0.6890269534941659
Energy: -1.192484802841971
Energy: -0.6880192383002443
Energy: -1.1336840285351808
Energy: -1.117422688669339
Energy: -1.0630060298253006
Energy: -1.2490160931895293
Energy: -0.8406482075849717
Energy: -1.1418150588275713
Energy: -0.4061680809087683
Energy: -0.5763384967078619
Energy: -1.7538388243449987
Energy: -0.5758192053258817
Energy: -1.308668275272448
Energy: -0.129146163471918
Energy: -1.2317478852755148
Energy: -0.12650584604231133
Energy: -1.4700344079232464
Energy: -0.49151424068314986
Energy: -2.013531450332292
Energy: -0.48496948821924657
Energy: -1.2542183849408663
Energy: -0.49944588046130367
Energy: -1.1165167197249335
Energy: -0.4994255469508567
Energy: -0.847833005377064
Energy: -0.5381793330715275
Energy: -1.6211188292731766
Energy: -0.33946694441708747
Energy: -0.1371541444970252
Energy: -0.7125152602015798
Energy: -0.7747333377564869
Energy: -0.3859016877308209
Energy: -1.8050466014831368
Energy: -0.44785333346777484
Energy: -1.690569194921878
Energy: -0.44785330866503453

minimum gb energy = -2.2039169224981405 eV
minimum distance =  2.31698054619927 Angstroms
sigma value = 29


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

Energy: 0.6801230576159029
Energy: 1.1763527053071523
Energy: -1.7564773803241667
Energy: 1.1763527052985923
Energy: 0.8799970792836599
Energy: 0.7265939867578437
Energy: 0.5744893070774048
Energy: 0.6927660766573482
Energy: 0.8908349543776627
Energy: 0.8816687519011416
Energy: 0.8907943685280383
Energy: 0.8815663162090783
Energy: 0.6371160074718488
Energy: 0.9331657140488783
Energy: 0.6271933084779534
Energy: 0.935378309949639
Energy: 0.5694907500604834
Energy: 1.2115005487559631
Energy: 0.8448364069967911
Energy: 1.2115005487573425
Energy: 0.8667400407229683
Energy: 0.6589478193286631
Energy: 0.8690557833582334
Energy: 0.702918050118653
Energy: 0.8499887958361625
Energy: 1.2052215872031813
Energy: 0.7014047099820645
Energy: 1.205221587097829
Energy: 0.6290601777048634
Energy: 0.9202574992448873
Energy: 0.5832057995357346
Energy: 0.9160633257782611
Energy: 0.8358746649679509
Energy: 0.6367755261520097
Energy: 0.8508693322886048
Energy: 0.7171385192977748

minimum gb energy = -1.7564773803241667 eV
minimum distance =  2.35453382739623 Angstroms
sigma value = 5


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

Energy: -0.09955289103778714
Energy: -0.8769626866864856
Energy: -1.2231460518233341
Energy: -0.8769617672570307
Energy: -0.2600226228167009
Energy: -0.6044906835331819
Energy: -1.224084824307567
Energy: -0.6045060931020602
Energy: -0.8193282227279929
Energy: -1.0218997193484756
Energy: -0.7262267824231863
Energy: -1.0218943296965317
Energy: -1.1911181275387301
Energy: -0.6648867701661014
Energy: -0.8535960870428805
Energy: -0.8694769041612447
Energy: -0.6930897021548327
Energy: -0.4721551558259527
Energy: -0.5422495477788836
Energy: -0.4721551559445701
Energy: -0.9772308146599934
Energy: -1.0906568588304582
Energy: -1.0845920437297272
Energy: -1.0835690991401072
Energy: -0.9859442892872284
Energy: -0.5120151293398438
Energy: -0.46412601766399497
Energy: -0.5119633482398511
Energy: -1.1269390643260264
Energy: -0.8436961098140584
Energy: -1.2769487261509544
Energy: -0.8436043999117342
Energy: -0.9544190529030457
Energy: -0.4814790278812029
Energy: -1.0319103818994115
Energy: -0.48147901714921
Energy: -1.1033806040945429
Energy: -0.2226431521828663
Energy: -1.2832857174740293
Energy: -0.22264315218745792
Energy: -1.1107054955699904
Energy: -0.6008405532223251
Energy: -1.2097805642550203
Energy: -0.600840552085615
Energy: -1.0585340391006446
Energy: -0.4820475850839379
Energy: -0.8846917955872596
Energy: -0.48204759162869965
Energy: -0.9613442932631026
Energy: -1.1663043272849405
Energy: -1.1809311079469367
Energy: -1.166308619987602
Energy: -0.8590339987640858
Energy: -0.7965964767521241
Energy: -0.4349828565515931
Energy: -0.6168589311640345
Energy: -0.25268939147991404
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Energy: -1.0450183773004873
Energy: -0.5483123357327773
Energy: -0.6583071640660118
Energy: -0.8056445124646151
Energy: -1.5417000399820866
Energy: -0.8056447815011863
Energy: -0.45909991252077775
Energy: -0.5464256921312992
Energy: -1.0010960507096478
Energy: -0.5464256920433623
Energy: -0.9904996728676625
Energy: -0.9207716037440766
Energy: -1.090046367723244
Energy: -0.9207738634705309
Energy: -0.9608687965782969
Energy: -0.5641378418537106
Energy: -0.9191953304439185
Energy: -0.5641384948152709
Energy: -0.9828185525051687
Energy: -0.7761920892219439
Energy: -1.0064244686168682
Energy: -0.7761889999059935
Energy: -1.280513946519446
Energy: -0.639496527911213
Energy: -0.7958525864156185
Energy: -0.6394965474682752
Energy: -0.8413099172825601
Energy: -0.3784002580943983
Energy: -1.114072245049526
Energy: -0.37840025915151987
Energy: -1.2122631837478626
Energy: -0.8654205729313275
Energy: -1.046768038530537
Energy: -0.8652943621445384
Energy: -1.3422656020758126
Energy: -0.1783497958447937
Energy: -0.8024770083671485
Energy: -0.1783522227545207
Energy: -0.9241288652909527
Energy: -0.6677110759736148
Energy: -1.0854832381046098
Energy: -0.6677102600206045
Energy: -0.6453519357505225
Energy: -0.8885052544063115
Energy: -0.7473606654868133
Energy: -0.8877289930909347
Energy: -0.7749444288302186
Energy: -0.7259234851401195
Energy: -0.8614642339415197
Energy: -0.7259235911278452
Energy: -2.1242751206870985
Energy: -0.38395284392436174
Energy: -0.9209992427786977
Energy: -0.38395284144445674
Energy: -0.9934299932070795
Energy: -0.08194073451152098
Energy: -0.19676615305248854
Energy: -0.08194073453600975
Energy: -0.8298686433913833
Energy: -0.9926237524018549
Energy: -0.697102122585285
Energy: -0.9926198497627929
Energy: -0.917865390120194
Energy: -1.1331230578481053
Energy: -0.8541697922574469
Energy: -1.1333891779231449
Energy: -0.6099923956196459
Energy: -0.846344208826736
Energy: -0.9179894444292697
Energy: -0.8463445124765774
Energy: -0.6642076204655708
Energy: -0.7449273733572811
Energy: -1.1164836580461774
Energy: -0.8575516339603987

minimum gb energy = -2.1242751206870985 eV
minimum distance =  2.31498259335335 Angstroms
sigma value = 1


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

Energy: -0.12742834795358537
Energy: -0.3128729467018901
Energy: -0.9192476907700768
Energy: -0.2489183208827595
Energy: 0.1476928335510163
Energy: -0.4898185190374108
Energy: 0.015255749226059422
Energy: -0.48986156853031404
Energy: -0.886386006152657
Energy: -0.1670743383784661
Energy: -0.3935775262696717
Energy: -0.24753554117829335
Energy: -0.707839896540418
Energy: -0.2795768627644922
Energy: -0.21429649696905878
Energy: -0.27957669659632955
Energy: -1.0343750193486239
Energy: -0.06654153208577702
Energy: -0.058706409060508245
Energy: -0.1827364753019287
Energy: -0.8893273792200437
Energy: -0.7736260157002371
Energy: -0.07497897397839487
Energy: -1.0087606748106455
Energy: -0.6542432526201726
Energy: 0.16683069740164855
Energy: -0.2905816285587085
Energy: 0.0809228325628968
Energy: -0.9209218190230538
Energy: -0.5632162753047816
Energy: -0.4521260478945882
Energy: -0.3709238536759684
Energy: -1.0270136344056695
Energy: -0.2389291042624662
Energy: -1.5001001499124282
Energy: -0.21422561388295838
Energy: -1.1784335966452706
Energy: 0.35206267724728035
Energy: -0.871151879318206
Energy: 0.35203456965863766
Energy: -0.7400735550488288
Energy: -0.770605197296333
Energy: -0.6330886941958105
Energy: -0.840183183791738
Energy: -0.7966955772465785
Energy: -0.2414433275193168
Energy: -0.2407865053006685
Energy: -0.3170436749441269
Energy: -1.0140765150977433
Energy: -1.128928148881847
Energy: -0.15860070108918997
Energy: -1.0561506658146531
Energy: -1.09097702775633
Energy: -0.20688491960746472
Energy: -0.18649962737131937
Energy: -0.20426300698646566
Energy: -0.3314225558728354
Energy: -0.36191899925068405
Energy: -0.28728894800007926
Energy: -0.45029043976680194
Energy: -0.5813208054765194
Energy: -0.853380920826468
Energy: -0.6879427444258706
Energy: -0.7542585824479894
Energy: 0.6323900419434675
Energy: -0.2922553684430539
Energy: -0.04759986720203231
Energy: 0.010587620812173435
Energy: 0.02672145473841814
Energy: -0.23651171916550504
Energy: -1.0997040624997325
Energy: -0.19769131570746565
Energy: 0.046868427803325084
Energy: -0.48998781788489537
Energy: 0.015255749590965872
Energy: -0.4899983244225311
Energy: -1.0186929049285198
Energy: -0.4965248572579386
Energy: -0.2807293667290324
Energy: -0.17516262553724452
Energy: -0.7209302563110087
Energy: -0.2795765204280853
Energy: -0.21429627195120604
Energy: -0.2795762897687317
Energy: -0.9454663248678153
Energy: -0.11358665078203771
Energy: 0.07338844621989331
Energy: -0.0008065104474563241
Energy: -0.8800793417492283
Energy: -1.0103689773898852
Energy: -0.07497888815972764
Energy: -1.0223392614394673
Energy: -0.6542474425922837
Energy: 0.07812749534059484
Energy: -0.3854572012994678
Energy: 0.1275359256827168

minimum gb energy = -1.5001001499124282 eV
minimum distance =  2.35103860277813 Angstroms
sigma value = 17


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

Energy: -0.8933810901782125
Energy: -0.7653778734659146
Energy: -1.7438863151705164
Energy: -0.7653778734606825
Energy: -0.8728731223188866
Energy: -0.9427942232215942
Energy: -1.294101819178096
Energy: -0.9427942232215942
Energy: -1.0476958831900338
Energy: -0.9180822613556839
Energy: -1.3448467926999124
Energy: -0.9180822613582998
Energy: -1.4859510901988242
Energy: -1.061025819795608
Energy: -1.3971613083109966
Energy: -1.06102581980411
Energy: -1.4077901925994523
Energy: -0.9399867940363784
Energy: -0.8181297622191798
Energy: -0.9401136334225194
Energy: -1.6755415024811986
Energy: -1.0590458697080372
Energy: -1.1016361993773616
Energy: -1.0590458481970437
Energy: -1.0087500799896125
Energy: -0.9673502205685226
Energy: -0.9352039954533579
Energy: -0.9673502205698306
Energy: -1.467767226847438
Energy: -0.9920774031682612
Energy: -1.4418358962869835
Energy: -0.9920774031748012
Energy: -0.9070404761643014
Energy: -0.7035251867745463
Energy: -1.496075194373318
Energy: -0.7035251867666984
Energy: -0.9081044284260443
Energy: -0.6265759644785617
Energy: -0.9563160739075784
Energy: -0.6265759653839372
Energy: -1.3559448240374452
Energy: -1.170175544999694
Energy: -1.2374088203941507
Energy: -1.1701755457462066
Energy: -1.1081950661308018
Energy: -0.9614821169878062
Energy: -1.5142115444603772
Energy: -0.9614821173447718
Energy: -1.6714487661047293
Energy: -0.8259769645388751
Energy: -1.3176343428964734
Energy: -0.8259769645467231
Energy: -1.575501682330241
Energy: -0.7719612582788293
Energy: -0.7523036386803188
Energy: -0.7719612582801374
Energy: -1.1517792401759006
Energy: -0.9061457896254906
Energy: -0.7542511435896301
Energy: -0.9061457896156805
Energy: -0.9787526156613073
Energy: -1.1461225222404483
Energy: -0.8965829558718412
Energy: -1.1461225232419623
Energy: -1.1941570900909133
Energy: -0.9308556482473931
Energy: -1.3205561391362324
Energy: -0.9308556482415666
Energy: -1.3862618440667054
Energy: -0.7509911690220642
Energy: -1.5399521408549717
Energy: -0.7509911690240262
Energy: -0.8024211016877335
Energy: -0.9722570931708393
Energy: -1.2899385141243775
Energy: -0.9722570931577592
Energy: -1.1030791726283287
Energy: -0.9048895460121219
Energy: -1.395550424039016
Energy: -0.9048895460134299
Energy: -0.736165538053463
Energy: -0.9683893500299803
Energy: -1.3360998586336819
Energy: -0.96838935035163
Energy: -1.3227662457625848
Energy: -0.8188845297458491
Energy: -1.045401983567704
Energy: -0.8189776999130015
Energy: -1.4893854792649255
Energy: -1.0534598139334295
Energy: -1.1423534038733756
Energy: -1.0534598102863617
Energy: -1.489010586333566
Energy: -0.7115568917933615
Energy: -0.340581178921919
Energy: -0.7115568917155947
Energy: -1.4503983981801647
Energy: -0.7675235809797655
Energy: -1.7285032291512963
Energy: -0.7675235809771495
Energy: -1.3757603654005939
Energy: -0.7683344087184779
Energy: -1.2377011830279203
Energy: -0.7683344087237098
Energy: -0.6898726807767703
Energy: -1.079271665077339
Energy: -0.9845684628016722
Energy: -1.0792716654094527
Energy: -0.8001879202716495
Energy: -0.96354855040279
Energy: -1.1386502037123256
Energy: -0.9635485503988659
Energy: -0.7849416135673755
Energy: -0.7721155970316297
Energy: -1.4486946240252265
Energy: -0.7721155970329376
Energy: -1.3103501031263238
Energy: -0.8215076361556617
Energy: -1.2901040871230127
Energy: -0.8215076361544132
Energy: -1.4283033936042913
Energy: -0.767309619457628
Energy: -1.210444663923237
Energy: -0.767309619455666
Energy: -1.4861629092347968
Energy: -1.1840168502821393
Energy: -1.3113957586890508
Energy: -1.1840168501272006
Energy: -1.026012325174924
Energy: -0.817788048459019
Energy: -1.0063745741498855
Energy: -0.817788048457711
Energy: -1.3009086953594342
Energy: -0.7135568201121647
Energy: -1.220342155305799
Energy: -0.7135568201193588
Energy: -1.403698617167096
Energy: -0.6569266123725267
Energy: -1.2572465026933841
Energy: -0.6569266119763802
Energy: -0.9413459200180625
Energy: -0.9945371406392884
Energy: -1.3989889012230057
Energy: -0.9945371406301919
Energy: -1.1120568644631306
Energy: -0.84562592158674
Energy: -1.6773746240989582
Energy: -0.8456247571040638
Energy: -0.8560005362696634
Energy: -0.7920125423754818
Energy: -1.3714804053348217
Energy: -0.7920125422996771

minimum gb energy = -1.7438863151705164 eV
minimum distance =  2.31299100705422 Angstroms
sigma value = 89


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

Energy: -0.966784407625964
Energy: 0.4092258201283897
Energy: -1.9474233869091726
Energy: -1.0503084286350028
Energy: -0.6597154895509467
Energy: -0.1729811626495595
Energy: -0.6657079107782928
Energy: -0.1729731776125316
Energy: 0.48008349307802023
Energy: 0.32592123127838557
Energy: -1.2571316818287581
Energy: 0.3259036241957295
Energy: -1.0324488157602134
Energy: -0.02448885431307744
Energy: -0.5862307607300876
Energy: -0.024483848130226568
Energy: -1.1088432638134202
Energy: -0.3726988789731533
Energy: -0.8705064434144864
Energy: -0.2651393973323942
Energy: -0.41136437365034084
Energy: -0.5354388448385966
Energy: -0.5879569038141897
Energy: -0.5224372070254261
Energy: -0.5052553601172237
Energy: 0.29268480157060245
Energy: -0.5509757067092208
Energy: 0.12920559340702142
Energy: -1.2736172542474202
Energy: 0.5595834466656577
Energy: -0.5482314194953911
Energy: 0.5908622328072823
Energy: -0.913349109850714
Energy: -0.3339413941137514
Energy: -0.9967338385478047
Energy: -0.46557835168188216
Energy: -0.2100837327116686
Energy: -0.560482405520978
Energy: -0.35081727254923273
Energy: -0.5919640458017672
Energy: -0.8921765103513747
Energy: -0.158939864373384
Energy: -0.667635111340105
Energy: -0.15898616453682785
Energy: -0.5051763200460774
Energy: 0.35152086099178964
Energy: -0.5215176056584787
Energy: 0.35152080996067614
Energy: -0.42206681746752595
Energy: -1.1150377584781805
Energy: -1.3114126873480332
Energy: 0.3050601221860997
Energy: -0.3610402426899999
Energy: -0.4066779363307022
Energy: -0.5667759064568484
Energy: -0.4066817588395495
Energy: -1.0561326394657418
Energy: -1.0569804689508446
Energy: -0.7394403177965154
Energy: 0.31281930523901413

minimum gb energy = -1.9474233869091726 eV
minimum distance =  2.3727373811696 Angstroms
sigma value = 13


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

Energy: -0.5472456287583372
Energy: -0.8546340313675377
Energy: -1.944060305491115
Energy: -0.8546340316070269
Energy: -0.15144646569731324
Energy: -0.4562782578062594
Energy: -1.1738017037143433
Energy: -0.4562782579195164
Energy: -0.7190105497022101
Energy: -0.7253106048011906
Energy: -1.533284144851536
Energy: -0.7253106047976045
Energy: -0.9458848441325979
Energy: -0.5190593944801786
Energy: -1.040015192515412
Energy: -0.5190593944916542
Energy: -1.0980274868129245
Energy: -0.7564614131835257
Energy: -0.9926695670455785
Energy: -0.7564613399826953
Energy: -1.2082996876593426
Energy: -0.9569272206779277
Energy: -0.9814055675599572
Energy: -0.9569272265357964
Energy: -1.3274296893930069
Energy: -0.4309739919514089
Energy: -0.8179170681169048
Energy: -0.4309739919471055
Energy: -1.338121727898457
Energy: -0.5222646258358936
Energy: -1.0894371046111828
Energy: -0.5222645927419124
Energy: -1.07454399513096
Energy: -0.7115167700149888
Energy: -0.7824972510168847
Energy: -0.7115167700121199
Energy: -1.2846349984005867
Energy: -0.393204788595433
Energy: -1.0412099027098551
Energy: -0.39320478829647904
Energy: -0.7191373932489912
Energy: -0.4724329268129242
Energy: -1.182303208696907
Energy: -0.4724329268258344
Energy: -0.8691854883713691
Energy: -0.4523501282286333
Energy: -1.141582646325878
Energy: -0.4523501282257645
Energy: -0.7577659304594169
Energy: -0.6729487307590124
Energy: -1.556448404429441
Energy: -0.6729487307525572
Energy: -0.8265457075866012
Energy: -0.5320594998370767
Energy: -1.190530472388862
Energy: -0.53205949984138
Energy: -0.7008511128799726
Energy: -0.884113221538752
Energy: -1.35459898591185
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Energy: -1.1686011880237428
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Energy: -0.9776039223773646
Energy: -0.8759864250072322
Energy: -1.2857663450051648
Energy: -0.8759864249986254
Energy: -0.9966713332410253
Energy: -0.7168771495594286
Energy: -0.9776881362631329
Energy: -0.7168771495637319
Energy: -0.9797137496925393
Energy: -0.418733624171108
Energy: -1.172290877757093
Energy: -0.418733624171108
Energy: -1.1581988517573634
Energy: -0.4316089803238231
Energy: -0.9957945679117702
Energy: -0.43160898032310585
Energy: -0.9988441179272185
Energy: -0.7131009046902543
Energy: -0.9901290439556092
Energy: -0.7131009048874271
Energy: -0.985439012143695
Energy: -0.7498503280937321
Energy: -1.151348382886261
Energy: -0.7498503280980355
Energy: -0.01509376615425206
Energy: -0.5359870496579086
Energy: -1.2504267742018047
Energy: -0.535987049659343
Energy: -0.6624288102817724
Energy: -0.87293093121342
Energy: -1.17830145962745
Energy: -0.8729309312141373
Energy: -0.9666772306491559
Energy: -0.5399647448179371
Energy: -1.033504853827426
Energy: -0.5399647448179371
Energy: -0.8456517875693306
Energy: -0.6716120881430594
Energy: -1.4615273588677988
Energy: -0.6716120881444938
Energy: -1.0240764756477703
Energy: -0.4485494976567158
Energy: -1.0798992789783926
Energy: -0.4485494976646054
Energy: -0.7179328886778557
Energy: -0.6420048396618394
Energy: -1.2876736762502623
Energy: -0.6420034271296775
Energy: -1.2814802895290658
Energy: -0.2527852530958099
Energy: -1.037749023909952
Energy: -0.2527852530549279
Energy: -1.0752885099741956
Energy: -0.707709418548644
Energy: -0.8406009472712381
Energy: -0.7077094185615542
Energy: -1.3720406896278707
Energy: -0.5400923819042132
Energy: -1.0291080600047795
Energy: -0.5400923832183067
Energy: -1.1708226119097418
Energy: -0.5411720874675782
Energy: -0.43995467795912135
Energy: -0.5411720887644582
Energy: -1.449613787410549
Energy: -0.8835723960549874
Energy: -0.9935940308800018
Energy: -0.8835724116083553
Energy: -1.2209100104539714
Energy: -0.7874068093737181
Energy: -1.0219391721812132
Energy: -0.7874067011567984
Energy: -0.9080885292824359
Energy: -0.44135047317477427
Energy: -1.070183272310429
Energy: -0.44135047318266374

minimum gb energy = -1.944060305491115 eV
minimum distance =  2.33253416430469 Angstroms
sigma value = 37


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

Energy: -0.5057255893926778
Energy: -0.1989539029128281
Energy: -1.0428250029901003
Energy: -0.1990307705828993
Energy: -0.21882579238592748
Energy: -0.271645588848975
Energy: -0.7144749045328408
Energy: -0.27182717307828724
Energy: -0.026008313601331885
Energy: -0.18992755626090607
Energy: -0.6125793520415964
Energy: -0.1899275539408516
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Energy: -0.30111460414136665
Energy: -1.1568017817470702
Energy: -0.30111178256648635
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Energy: -0.20550714728811195
Energy: -0.6720785067448165
Energy: -0.2055070381477858
Energy: -0.5937268776824671
Energy: -0.3153340544661212
Energy: -0.3567155422349488
Energy: -0.3153340544957364
Energy: -0.7071553441699902
Energy: -0.08691335968488297
Energy: -0.41507911243259776
Energy: -0.08640181675055533
Energy: -0.7216420638658292
Energy: -0.3156733877410524
Energy: -0.30293450158923
Energy: -0.31567339383168985
Energy: -0.6589199451374093
Energy: -0.51738717990386
Energy: 0.18641703606020457
Energy: -0.33035561513681005
Energy: 0.16985884983092697
Energy: 0.25497413073060093
Energy: -0.1955530111304766
Energy: 0.25497413547063325
Energy: -1.1349254522778844
Energy: 0.2089192977653549
Energy: -0.16438255734818089
Energy: 0.20892333278183636
Energy: -0.12868041354098053
Energy: -0.1816545820352281
Energy: -1.1159412020022252
Energy: -0.18165458439597548
Energy: -0.04827240032003532
Energy: -0.49438318594865377
Energy: -0.6519480191089757
Energy: -0.4678392639917876
Energy: -0.10075878624491223
Energy: 0.5069423733035838
Energy: -0.8178962205478347
Energy: 0.5069423737870747
Energy: 0.3206753105587944
Energy: -0.011443201645783482
Energy: -0.7619610390749275
Energy: -0.018288202660278256
Energy: 0.06511486324980424
Energy: -0.15659461493195495
Energy: -1.0521918355026052
Energy: -0.15659461495540034
Energy: -0.1547594305876948
Energy: -0.33767535919628094
Energy: -0.878768650586562
Energy: -0.3504899727171425
Energy: -0.1761337185175913
Energy: 0.22857729389305714
Energy: -0.18569700479833823
Energy: 0.22857222754690046
Energy: -0.52546864109804
Energy: -0.1999430661664936
Energy: -1.2167054715889563
Energy: -0.1999432626255029
Energy: -0.14896416050026118
Energy: -0.312184542795468
Energy: -0.27731857531031484
Energy: -0.31300486165754593

minimum gb energy = -1.2167054715889563 eV
minimum distance =  2.36125718717004 Angstroms
sigma value = 25


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

Energy: 0.1343317206264423
Energy: -0.4183400866855418
Energy: -1.3216222948709924
Energy: -0.4183390359340296
Energy: 0.07580011827954296
Energy: -0.6030513558260571
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Energy: -0.745973488669242
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Energy: -0.5276076687531713
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Energy: -0.5827979501088487
Energy: -0.8516394873554788
Energy: -0.6813375230564768
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Energy: -0.9121174476499562
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Energy: -0.8296902681015297
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Energy: -0.9134647488552526
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Energy: 0.14785119167923605
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Energy: -1.088950119112609
Energy: -0.3763718125128457
Energy: 0.032405182220479875
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Energy: -0.6617203173361126
Energy: -0.14189110426090987
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Energy: -0.7925626105010923
Energy: -0.006512190018846947
Energy: -0.44939821878275205
Energy: -0.1123422715580401
Energy: -0.9697801693432951
Energy: -0.112342273604699
Energy: -0.8192620422979403
Energy: 0.35354359020082954
Energy: -1.174786461735805
Energy: 0.3535435901642578
Energy: -1.085060438890436
Energy: 0.25011061634989523
Energy: -0.60106850906931
Energy: 0.25011330822320327
Energy: -1.1043926479518484
Energy: -0.03631414642823364
Energy: -0.3603493242618653
Energy: -0.1807365471259043

minimum gb energy = -1.5995223970279113 eV
minimum distance =  2.33193244011695 Angstroms
sigma value = 41


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

Energy: -0.3693666958707935
Energy: -0.865526963093928
Energy: -1.456621171240616
Energy: -0.8655269631057774
Energy: -0.06110462257955713
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Energy: -0.9674892446506765
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Energy: -1.2867090549461266
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Energy: -1.4548582763438376
Energy: -0.47756856030495465
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Energy: -1.3598934267033145
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Energy: -0.7144009978069435
Energy: -1.3562742917493535
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Energy: -0.7012247038306056
Energy: -1.2876608069202773
Energy: -0.7012247040019566
Energy: -1.2964714171421399
Energy: -0.41535733649783746
Energy: -1.1688801519549092
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Energy: -1.4867652021117364
Energy: -0.2677168104522784
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Energy: -0.992153894945339
Energy: -0.7469599050624393
Energy: -1.444160999143584
Energy: -0.4741320051734037
Energy: -0.9273503820954956
Energy: -0.47413200515365456

minimum gb energy = -1.6134019661844607 eV
minimum distance =  2.32523295089102 Angstroms
sigma value = 15


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

Energy: -0.6359304059184556
Energy: -0.7714827561257791
Energy: -1.9302674291247757
Energy: -0.7714827560742498
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Energy: -1.1380890906361114
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Energy: -1.101088922548436
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Energy: -1.442427051567032
Energy: -1.474101018069258
Energy: -0.896458273657649
Energy: -1.0280740636184835
Energy: -0.8964582736563106

minimum gb energy = -2.0922764195237407 eV
minimum distance =  2.32215768964528 Angstroms
sigma value = 85


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

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Energy: -0.09369287852780048
Energy: -0.30719051258172375
Energy: -0.023512726594381955
Energy: -0.16213522524271448
Energy: -0.023512726587417043
Energy: -0.21582650590378893
Energy: 0.038326488789778713
Energy: -0.25773448046461483
Energy: 0.03832648878745708
Energy: -0.5864923878868642
Energy: 0.3438976005741037
Energy: -0.20824016830589348
Energy: 0.343897600571782
Energy: -0.2103212706278167
Energy: -0.03149478209269428
Energy: -0.05675670429167596
Energy: -0.03149478215361089
Energy: -0.8578774198314593
Energy: 0.0005955420231991731
Energy: 0.15952186578575386
Energy: 0.0005955427182129455
Energy: -0.16539110605554028
Energy: 0.044753563259598526
Energy: 0.29285551308859725
Energy: 0.04475356325727689

minimum gb energy = -1.014989759295885 eV
minimum distance =  2.32515260257498 Angstroms
sigma value = 113


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

Energy: 0.01835998691642578
Energy: 0.01914956494531946
Energy: -1.6888122186364594
Energy: 0.019149564945716072
Energy: 0.7220799039331515
Energy: -4.379780629652735
Energy: -4.379996658791307
Energy: -4.379780629652735
Energy: 0.018359986916871966
Energy: 0.019149564945716072
Energy: -1.7830531937263168
Energy: 0.019149564945716072
Energy: 0.7220799039362252
Energy: -4.379780629652289
Energy: -4.379996658791754
Energy: -4.379780629653181
Energy: 0.01835998691642578
Energy: 0.01914956494531946
Energy: -1.8275177436503471
Energy: 0.019149564945716072
Energy: 0.7220799039370681
Energy: -4.379780629652735
Energy: -4.37999665879091
Energy: -4.379780629652735

minimum gb energy = -4.379996658791754 eV
minimum distance =  2.46104608529128 Angstroms
sigma value = 1