Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61105090379715
cohesive_energy=4.158489038127336
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.01977148199888395
Energy: 0.800548589972907
Energy: 0.4701763579595593
Energy: 0.8005905506034727
Energy: 0.019771481998627327
Energy: 0.8005485899711678
Energy: 0.4701763579593027
Energy: 0.9204779186587836
Energy: 0.020226956069362832
Energy: 0.40543903063068254
Energy: 0.020242378518239207
Energy: 0.9204779186580422
Energy: 0.020226956070360798
Energy: 0.4054390306311958
Energy: 0.01977148199936868
Energy: 0.800548589972907
Energy: 0.47017635795981594
Energy: 0.8005905506037294
Energy: 0.019771481998627327
Energy: 0.8005485899706544
Energy: 0.47017635795881796
Energy: 0.9204779186587836
Energy: 0.02022695606987607
Energy: 0.4054390306309392
Energy: 0.020242378518495828
Energy: 0.9204779186580422
Energy: 0.020226956070874037
Energy: 0.4054390306311958
Energy: 0.01977148199936868
Energy: 0.8005485899734204
Energy: 0.47017635796007257
Energy: 0.8005905506042142
Energy: 0.019771481998370713
Energy: 0.8005485899713959
Energy: 0.4701763579593027
Energy: 0.9204779186587836
Energy: 0.02022695606987607
Energy: 0.4054390306311958
Energy: 0.020242378518495828
Energy: 0.9204779186577855
Energy: 0.020226956070360798
Energy: 0.4054390306309392

minimum gb energy = 0.019771481998370713 eV
minimum distance =  2.53517022778854 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.0234258366642948
Energy: 1.9019086258046156
Energy: 1.9468742876377347
Energy: 1.9018904871952165
Energy: 2.0234258366428364
Energy: 1.9019086258199425
Energy: 1.9468742876193421
Energy: 1.8847759494131868
Energy: 1.8706834672703356
Energy: 1.9268411526006706
Energy: 1.8966356127518003
Energy: 1.884775949394794
Energy: 1.8706834672580737
Energy: 1.9268411526006706
Energy: 1.8963501726912209
Energy: 1.9010551749128706
Energy: 1.8592553678306718
Energy: 1.893346286564164
Energy: 1.8963501726697627
Energy: 1.9010551749190014
Energy: 1.8592553678276067
Energy: 1.9663967677452414
Energy: 1.8745217049096607
Energy: 1.8956119586167488
Energy: 1.929343222572446
Energy: 1.9663967677391103
Energy: 1.8745217049188574
Energy: 1.8956119586351416
Energy: 1.9269633395707382
Energy: 1.8773089208824174
Energy: 1.8684312067791045
Energy: 1.8918622427741127
Energy: 1.9269633395676724
Energy: 1.8773089209038754
Energy: 1.8684312067883007
Energy: 1.9090542575945546
Energy: 1.92173881752123
Energy: 1.9210412048594765
Energy: 1.8781973280484858
Energy: 1.9090542576006853
Energy: 1.9217388175396226
Energy: 1.9210412048472145
Energy: 1.8939307164818735
Energy: 1.9366762360224323
Energy: 1.8895922184391318
Energy: 1.9307709434405433
Energy: 1.8939307165002661
Energy: 1.9366762360163015
Energy: 1.889592218433001
Energy: 1.892668986013713
Energy: 1.895034663827697
Energy: 1.8758395805691268
Energy: 1.894972752284117
Energy: 1.8926689859953203
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Energy: 1.8579774720239244
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Energy: 1.9269589116606238
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Energy: 1.8744576757331335
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Energy: 1.9443412156029536
Energy: 1.9027751818284202
Energy: 1.8857862391066624
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Energy: 1.9443412156029536
Energy: 1.902775181834551
Energy: 1.8857862391158031
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Energy: 1.9192822011539463
Energy: 1.9334634014947194
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Energy: 1.947512356732326
Energy: 1.9192822011600776
Energy: 1.8706798880386897
Energy: 1.857070509699529
Energy: 1.9091139800377839
Energy: 1.894667347326197
Energy: 1.8706798880294933
Energy: 1.8570705097056601
Energy: 1.9091139800255221
Energy: 1.9129683952826706
Energy: 1.9103497011539468
Energy: 1.9239063238166194
Energy: 1.919723284291145
Energy: 1.9129683952918668
Energy: 1.9103497011570123
Energy: 1.9239063238135539
Energy: 1.8846252062397504
Energy: 1.9097785516775772
Energy: 1.88748778330263
Energy: 1.9167727138592596
Energy: 1.884625206255078
Energy: 1.9097785516775772
Energy: 1.8874877832842376
Energy: 1.910039967861466
Energy: 1.9144179574375053
Energy: 1.853589266645765
Energy: 1.9459655176901285
Energy: 1.9100399678737274
Energy: 1.9144179574558982
Energy: 1.8535892666549056
Energy: 1.8921375928581676
Energy: 1.8756202460760452
Energy: 1.9114231682036766
Energy: 1.9162964498164619
Energy: 1.892137592852037
Energy: 1.8756202460699143
Energy: 1.9114231681883496
Energy: 1.9194481774142542
Energy: 1.9159559657066358
Energy: 1.8729033749836292
Energy: 1.9268853564816866
Energy: 1.91944817741732
Energy: 1.915955965709701
Energy: 1.8729033749897601
Energy: 1.9264411140756759
Energy: 1.876525184227924
Energy: 1.885397462899511
Energy: 1.8897719452212318
Energy: 1.9264411140664792
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Energy: 1.8853974628872494
Energy: 1.8939397762112842
Energy: 1.9320727405251874
Energy: 1.8864334106429423
Energy: 1.9259447093046298
Energy: 1.8939397762266117
Energy: 1.9320727405435243
Energy: 1.8864334106613347
Energy: 1.8929038618831293
Energy: 1.9175568446305145
Energy: 1.8760639896436349
Energy: 1.9182312512917015
Energy: 1.892903861861671
Energy: 1.917556844627449
Energy: 1.8760639896436349
Energy: 1.910043296364732
Energy: 1.8958993747147346
Energy: 1.8887294396312584
Energy: 1.8948174619448943
Energy: 1.9100432963616667
Energy: 1.895899374723931
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Energy: 1.8773795058336902
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Energy: 1.9086039460830604
Energy: 1.8773795058428866
Energy: 1.879663565919622
Energy: 1.8813144678425668
Energy: 1.931688463129449
Energy: 1.9243651191733093
Energy: 1.935234087334844
Energy: 1.922223778054041
Energy: 1.9316884631171873
Energy: 1.9243651191733093
Energy: 1.9352340873164515
Energy: 1.9108648291627126
Energy: 1.913199448634467
Energy: 1.8616224709658982
Energy: 1.8966270949935558
Energy: 1.9108648291535162
Energy: 1.913199448655925
Energy: 1.8616224709414304
Energy: 2.00558819913069
Energy: 1.8678125116278415
Energy: 1.896894308724942
Energy: 1.8819011628087114
Energy: 2.005588199152148
Energy: 1.8678125116186453
Energy: 1.8968943087341381
Energy: 1.974390156054764
Energy: 1.9669514244006254
Energy: 1.8915584276652562
Energy: 1.967571319676977
Energy: 1.9743901560516985
Energy: 1.9669514244159527
Energy: 1.8915584276652562
Energy: 1.8971983421976264
Energy: 1.9126074164951774
Energy: 1.8306574097629513
Energy: 1.8785363365537497
Energy: 1.8971983421884302
Energy: 1.9126074164767846
Energy: 1.8306574097874746
Energy: 1.8808739784512785
Energy: 1.8979091388557687
Energy: 1.9653764901416657
Energy: 1.9124235979588513
Energy: 1.880873978466606
Energy: 1.8979091388618998
Energy: 1.9653764901477964
Energy: 1.927646922027549
Energy: 1.945715876291485
Energy: 1.8838025650069556
Energy: 1.93511497747669
Energy: 1.9276469220306145
Energy: 1.9457158762945506
Energy: 1.8838025649886185
Energy: 1.8935175478182333
Energy: 1.8923117966162701
Energy: 1.8961766217428502
Energy: 1.8590174981264667
Energy: 1.8935175478212987
Energy: 1.892311796582606
Energy: 1.8961766217336538
Energy: 1.930389663345445
Energy: 1.9224700548510951
Energy: 1.890698177825879
Energy: 1.8959577454118157
Energy: 1.9303896633546413
Energy: 1.922470054841899
Energy: 1.890698177825879
Energy: 1.9348855905293354
Energy: 1.8953989779254783
Energy: 1.87346740043679
Energy: 1.894939667589447
Energy: 1.9348855905232045
Energy: 1.8953989779408054
Energy: 1.8734674004459304
Energy: 1.8943983618632563
Energy: 1.8973763886685189
Energy: 1.8860115920408445
Energy: 1.9090212068594168
Energy: 1.8943983618632563
Energy: 1.8973763886593225
Energy: 1.8860115920469196
Energy: 1.9265466165435905
Energy: 1.9213191102910974
Energy: 1.8854775627549916
Energy: 1.908492971514924
Energy: 1.9265466165221323
Energy: 1.921319110288032
Energy: 1.8854775627611222
Energy: 1.8578791045640002
Energy: 1.9272131721765189
Energy: 1.9453077449085683
Energy: 1.9162675013506487
Energy: 1.857879104554804
Energy: 1.9272131721918462
Energy: 1.9453077448840446
Energy: 1.8793939311189864
Energy: 1.90831342431283
Energy: 1.8885959389630427
Energy: 1.876990420369955
Energy: 1.8793939311343137
Energy: 1.9083134243250917
Energy: 1.8885959389936973
Energy: 1.9093717354349036
Energy: 1.9656085815430873
Energy: 1.8497438729236075
Energy: 1.933074983182107
Energy: 1.909371735431838
Energy: 1.9656085815338908
Energy: 1.8497438729144113
Energy: 1.8732376519762184
Energy: 1.854851244882086
Energy: 1.8856416944966379
Energy: 1.8996793603457103
Energy: 1.8732376519762184
Energy: 1.8548512448728898
Energy: 1.885641694524227
Energy: 1.9061823158111115
Energy: 1.9103063516568104
Energy: 1.8960407307897271
Energy: 1.9102992616555012
Energy: 1.9061823158019149
Energy: 1.9103063516721375
Energy: 1.8960407307775209
Energy: 1.9471308739389523
Energy: 1.8987003749058555
Energy: 1.9088402191083846
Energy: 1.8590343940453624
Energy: 1.947130873963476
Energy: 1.898700374890528
Energy: 1.9088402191053195
Energy: 1.920704046789913
Energy: 1.9332834493351028
Energy: 1.8901131967422204
Energy: 1.9474357690893318
Energy: 1.9207040467868473
Energy: 1.9332834493412336
Energy: 1.8901131967360898
Energy: 1.898648383265026
Energy: 1.9096406990412016
Energy: 1.8923458744274553
Energy: 1.9003385362590182
Energy: 1.8986483832834187
Energy: 1.90964069906266
Energy: 1.8923458744427823
Energy: 1.8578265671680716
Energy: 1.9293157926209432
Energy: 1.8815684798761079
Energy: 1.9262045321261179
Energy: 1.8578265671588752
Energy: 1.9293157926178777
Energy: 1.8815684798730423
Energy: 1.9263372453666328
Energy: 1.9312445436893735
Energy: 1.887859814684354
Energy: 1.9303406342188327
Energy: 1.9263372453696983
Energy: 1.9312445436771117
Energy: 1.8878598146904848
Energy: 1.857820746215156
Energy: 1.9273807281426578
Energy: 1.8952060623787133
Energy: 1.9161313029531784
Energy: 1.8578207461936975
Energy: 1.9273807281426578
Energy: 1.8952060623603204

minimum gb energy = 1.8306574097629513 eV
minimum distance =  2.2639894072471 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.918846422903722
Energy: 1.9965705508486795
Energy: 1.9171403334619308
Energy: 1.98554532244608
Energy: 1.918846422903722
Energy: 1.9965705508451999
Energy: 1.9171403334654105
Energy: 1.8940782902399258
Energy: 1.997937510370318
Energy: 1.9070153181556306
Energy: 1.9435550826417787
Energy: 1.8940782902538444
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Energy: 1.9070153181451917
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Energy: 1.8847901501039268
Energy: 1.9912230236105997
Energy: 1.9038291603588293
Energy: 1.8844119611449173
Energy: 2.0099339586747402
Energy: 1.907735663633907
Energy: 1.8886212913498486
Energy: 1.884411961155356
Energy: 2.0099339586781566
Energy: 1.9077356636373866
Energy: 1.8849774397984478
Energy: 2.0022141064608032
Energy: 1.9028744615005473
Energy: 1.9376629225473465
Energy: 1.8849774398088863
Energy: 2.002214106443405
Energy: 1.902874461493588
Energy: 1.8844504318468667
Energy: 1.9765889938526007
Energy: 1.9155637735329742
Energy: 1.985688400958512
Energy: 1.884450431839971
Energy: 1.976588993863039
Energy: 1.9155637735329742
Energy: 1.8842693336469374
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Energy: 1.9309261713894175
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Energy: 1.999409041613076
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Energy: 1.9159497825925087
Energy: 2.0007152531040346
Energy: 1.8846805178725698
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Energy: 1.9206058968494506
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Energy: 1.9577450081692402
Energy: 1.9206058968494506
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Energy: 1.8843241119337364
Energy: 1.9714401866696345
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Energy: 1.88453316025218
Energy: 1.9415762283744629
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Energy: 1.9063082399999554
Energy: 1.88447972011585
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Energy: 1.9153663189041281
Energy: 2.0007152531040346
Energy: 1.8844797201228092
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Energy: 1.9153663189006485
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Energy: 1.9767796045426977
Energy: 1.9196275534701301
Energy: 1.9577450081622811
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Energy: 1.9767796045323225
Energy: 1.9196275534701301
Energy: 1.918846422903722
Energy: 1.9965705508486795
Energy: 1.903944611217709
Energy: 1.9855453224495594
Energy: 1.918846422914161
Energy: 1.9965705508417202
Energy: 1.9039446112142293
Energy: 1.8940782902434055
Energy: 1.997937510370318
Energy: 1.907015318152151
Energy: 1.9435550826348196
Energy: 1.8940782902573239
Energy: 1.9979375103598793
Energy: 1.9070153181417122
Energy: 1.8847901501039268
Energy: 1.9912230236001611
Energy: 1.9038291603553499
Energy: 1.9492791568410832
Energy: 1.8847901501039268
Energy: 1.99122302360712
Energy: 1.9038291603553499
Energy: 1.8844119611414374
Energy: 2.009933958671261
Energy: 1.9077356636373866
Energy: 1.8886212913428893
Energy: 1.8844119611518764
Energy: 2.0099339586747402
Energy: 1.907735663640866
Energy: 1.8849774398019277
Energy: 2.0022141064608032
Energy: 1.9028744615005473
Energy: 1.9376629225508262
Energy: 1.8849774398088863
Energy: 2.002214106446885
Energy: 1.902874461493588
Energy: 1.8844504318434505
Energy: 1.9765889938560801
Energy: 1.9155637735329742
Energy: 1.9856884009515527
Energy: 1.884450431839971
Energy: 1.976588993863039
Energy: 1.915563773526015
Energy: 1.8842693336573764
Energy: 1.9257005170265853
Energy: 1.9389567900453446
Energy: 1.9351298869558107
Energy: 1.8842693336469374
Energy: 1.9257005170231059
Energy: 1.9389567900383855
Energy: 1.8844470454646856
Energy: 1.9405463064515989
Energy: 1.8896438487806648
Energy: 1.9309261713894175
Energy: 1.8844470454716447
Energy: 1.9405463064481192
Energy: 1.8896438487632665
Energy: 1.884343885365781
Energy: 1.93776931473836
Energy: 1.9144037199392603
Energy: 1.9987626118951474
Energy: 1.8843438853588217
Energy: 1.93776931473836
Energy: 1.9144037199323012
Energy: 1.884324111937216
Energy: 1.9714401866696345
Energy: 1.904713221811329
Energy: 1.999409041613076
Energy: 1.8843241119337364
Energy: 1.9714401866730507
Energy: 1.9047132218182883
Energy: 1.8845331602452209
Energy: 1.9598106266577826
Energy: 1.9063082399999554
Energy: 1.9991995051075215
Energy: 1.88453316025218
Energy: 1.9598106266647417
Energy: 1.9063082399999554
Energy: 1.8846805178760493
Energy: 1.9441619127697063
Energy: 1.9269956428348105
Energy: 2.000715253107514
Energy: 1.8846805178760493
Energy: 1.9441619127662266
Energy: 1.9269956428348105
Energy: 1.920605896859826
Energy: 1.9767796045392814
Energy: 1.9196275534701301
Energy: 1.9577450081657606
Energy: 1.9206058968563466
Energy: 1.976779604535802
Energy: 1.91962755347361
Energy: 1.9325882844466322
Energy: 1.9965705508486795
Energy: 1.9039446112072702
Energy: 1.98554532244608
Energy: 1.9325882844396731
Energy: 1.9965705508451999
Energy: 1.9039446112072702
Energy: 1.8940782902434055
Energy: 1.9979375103772774
Energy: 1.9070153181556306
Energy: 1.9463691394080915
Energy: 1.8940782902538444
Energy: 1.997937510363359
Energy: 1.9070153181417122

minimum gb energy = 1.8841840246074268 eV
minimum distance =  2.29673457476182 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 2.0786968228526317
Energy: 1.9508706256971817
Energy: 2.033562266620448
Energy: 1.9508630760407881
Energy: 2.078696822854239
Energy: 1.9508706256951724
Energy: 2.033562266622457
Energy: 2.0509114887060726
Energy: 1.925199038838261
Energy: 1.9719826858451976
Energy: 1.9726582729695397
Energy: 2.0509114887072784
Energy: 1.9251990388350833
Energy: 1.971982685842385
Energy: 1.8932429332262461
Energy: 1.8940160027442994
Energy: 2.0866896506796393
Energy: 1.9455092307771846
Energy: 1.8932429332278533
Energy: 1.8940160027519335
Energy: 2.086689650673211
Energy: 1.9469770516431582
Energy: 1.965991933838139
Energy: 1.9550398898161458
Energy: 1.902942072470868
Energy: 1.9469770516487832
Energy: 1.9659919338369338
Energy: 1.9550398898097172
Energy: 2.056720041828985
Energy: 1.9592594352288268
Energy: 2.038673198381851
Energy: 1.8924944315534848
Energy: 2.056720041822958
Energy: 1.9592594352260144
Energy: 2.038673198380646
Energy: 1.9469614443070709
Energy: 1.9028519565139577
Energy: 1.920347841650888
Energy: 1.9217837299814962
Energy: 1.9469614443042584
Energy: 1.9028519565163686
Energy: 1.920347841654906
Energy: 2.0572565946762538
Energy: 1.9514658238341915
Energy: 1.9639813988729835
Energy: 2.0001242877987906
Energy: 2.0572565946790657
Energy: 1.9514658238321823
Energy: 1.9639813988697694
Energy: 1.947048308018307
Energy: 1.9724527010336061
Energy: 1.9609474013378578
Energy: 1.9662920005901408
Energy: 1.9470483080211194
Energy: 1.9724527010271777
Energy: 1.9609474013378578
Energy: 2.0572950858503303
Energy: 1.965773744247387
Energy: 1.9603934407888806
Energy: 1.9743403706382816
Energy: 2.057295085856759
Energy: 1.9657737442530123
Energy: 1.9603934407916928
Energy: 1.9415870981663872
Energy: 1.9760902078233291
Energy: 2.1142412023061206
Energy: 1.9525727269633835
Energy: 1.9415870981628076
Energy: 1.9760902078213203
Energy: 2.1142412023093353
Energy: 2.0576268357437084
Energy: 1.9859660851330343
Energy: 1.9624415834698061
Energy: 1.9030840177328503
Energy: 2.0576268357421013
Energy: 1.9859660851342398
Energy: 1.962441583468199
Energy: 1.980217176254942
Energy: 1.980700381213424
Energy: 2.021684509443693
Energy: 2.07039875376453
Energy: 1.980217176258558
Energy: 1.9807003812154331
Energy: 2.02168450944972
Energy: 1.9997212322776878
Energy: 1.9199413567845822
Energy: 2.0371254360597084
Energy: 1.9559116373815368
Energy: 1.9997212322756788
Energy: 1.9199413567837784
Energy: 2.0371254360556907
Energy: 2.023005396472275
Energy: 1.8989780620055452
Energy: 2.0468995413484943
Energy: 1.8990362444317836
Energy: 2.023005396477498
Energy: 1.8989780619991168
Energy: 2.046899541347691
Energy: 1.9997599656171137
Energy: 1.9558181725042836
Energy: 2.0371285562358366
Energy: 1.9197130604190866
Energy: 1.9997599656147034
Energy: 1.9558181725115158
Energy: 2.03712855623664
Energy: 1.9803715363835934
Energy: 2.070387945437878
Energy: 2.0216767581401607
Energy: 1.9806714371969492
Energy: 1.980371536382388
Energy: 2.07038794543828
Energy: 2.021676758131723
Energy: 2.057578818623542
Energy: 1.903019737949776
Energy: 1.9793014235994741
Energy: 1.9859536540773732
Energy: 2.0575788186267565
Energy: 1.9030197379521865
Energy: 1.9793014235990725
Energy: 1.9416099564418452
Energy: 1.952658543648082
Energy: 2.1137549904022985
Energy: 1.9760536117716905
Energy: 1.941609956446265
Energy: 1.952658543648082
Energy: 2.1137549903974766
Energy: 2.057432375783823
Energy: 1.9747004176280745
Energy: 1.9314533293146354
Energy: 1.965776942181513
Energy: 2.057432375779403
Energy: 1.974700417627271
Energy: 1.9314533293110194
Energy: 1.9470192129919093
Energy: 1.9664643659427212
Energy: 1.9610907180943347
Energy: 1.972253640172568
Energy: 1.9470192129886952
Energy: 1.966464365937498
Energy: 1.961090718095138
Energy: 2.057208821457534
Energy: 2.000165770977906
Energy: 2.0220486842992025
Energy: 1.951438428154229
Energy: 2.057208821456767
Energy: 2.0001657709807183
Energy: 2.033392774001865
Energy: 1.9467872692515997
Energy: 1.9216518996791192
Energy: 1.9203384325829604
Energy: 1.902986921558515
Energy: 1.9467872692515997
Energy: 1.9216518996734946
Energy: 1.920338432584568
Energy: 2.056849567875251
Energy: 1.8924969120648911
Energy: 1.9670575099512766
Energy: 1.959129850074189
Energy: 2.0568495678764562
Energy: 1.892496912059668
Energy: 1.9670575099472587
Energy: 1.9470292500778008
Energy: 1.9029632007062833
Energy: 1.9549922659334562
Energy: 1.9659516297900637
Energy: 1.9470292500786046
Energy: 1.9029632007098995
Energy: 1.9549922659326524
Energy: 1.8932840060459006
Energy: 1.9455630582618322
Energy: 1.9365128389942754
Energy: 1.8965693746769026
Energy: 1.8932840060491147
Energy: 1.9455630582662515
Energy: 1.9365128389942754
Energy: 2.0509269477109706
Energy: 1.972896174196205
Energy: 1.9719975744818232
Energy: 1.9252475860507319
Energy: 2.0509269477061496
Energy: 1.9728961741958029
Energy: 1.9719975744782072
Energy: 2.0786968228526317
Energy: 1.9508706256899493
Energy: 2.0493155053944716
Energy: 1.9508630760407881
Energy: 2.0786968228482126
Energy: 1.9508706256863333
Energy: 2.0493155054037127
Energy: 2.0509114887032602
Energy: 1.9251990388366904
Energy: 1.9719826858439922
Energy: 1.9726582729602986
Energy: 2.050911488709689
Energy: 1.9251990388346814
Energy: 1.9719826858415814
Energy: 1.893242933226648
Energy: 1.8940160027523352
Energy: 2.086689650670435
Energy: 1.9455092307675417
Energy: 1.893242933228657
Energy: 1.8940160027426922
Energy: 2.086689650676023
Energy: 1.9469770516511942
Energy: 1.9659919338357283
Energy: 1.9550398898137353
Energy: 1.9029420724748858
Energy: 1.946977051647578
Energy: 1.9659919338361302
Energy: 1.9550398898157442
Energy: 2.0567200418257707
Energy: 1.9592594352308357
Energy: 2.0442676844202894
Energy: 1.8924944315522794
Energy: 2.0567200418245655
Energy: 1.959259435228023
Energy: 2.0442676844227
Energy: 1.94696144430466
Energy: 1.9028519565199846
Energy: 1.9203478416528972
Energy: 1.9217837299879248
Energy: 1.9469614443102852
Energy: 1.9028519565147615
Energy: 1.9203478416500843
Energy: 2.0572565946746466
Energy: 1.9514658238329858
Energy: 1.9421185560245922
Energy: 2.0001242878048173
Energy: 2.0572565946726376
Energy: 1.951465823834593
Energy: 1.9421185560225833
Energy: 1.947048308014289
Energy: 1.9724527010324011
Energy: 1.9609474013402324
Energy: 1.9662920005853193
Energy: 1.9470483080146908
Energy: 1.9724527010372224
Energy: 1.9609474013390267
Energy: 2.057295085856357
Energy: 1.9657737442550212
Energy: 1.960393440794907
Energy: 1.974340370643103
Energy: 2.057295085853946
Energy: 1.9657737442485925
Energy: 1.9603934407916928
Energy: 1.9415870981636112
Energy: 1.9760902078221239
Energy: 2.1142412023045134
Energy: 1.9525727269605708
Energy: 1.9415870981655836
Energy: 1.9760902078225258
Energy: 2.114241202310139

minimum gb energy = 1.8924944315522794 eV
minimum distance =  2.28206040137623 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.9620040321995682
Energy: 1.9973325031252138
Energy: 2.036214326319664
Energy: 1.9975609930789726
Energy: 1.9620040321929295
Energy: 1.9973325031209463
Energy: 2.03621432631919
Energy: 1.9414726802531281
Energy: 1.9640459005667337
Energy: 1.7881411234532054
Energy: 1.964350911581619
Energy: 1.9414726802488604
Energy: 1.9640459005728979
Energy: 1.7881411234527314
Energy: 1.9620308629460752
Energy: 1.8269519516547557
Energy: 1.8472672613655718
Energy: 1.9949334265505252
Energy: 1.962030862952714
Energy: 1.8269519516533332
Energy: 1.8472672613613041
Energy: 1.9508529536575423
Energy: 1.9663897734298783
Energy: 1.7881473004231245
Energy: 1.9379121861416602
Energy: 1.9508529536684054
Energy: 1.9663897734256106
Energy: 1.7881473004254955
Energy: 2.0042443843241364
Energy: 1.9945404466026981
Energy: 1.9169480462795385
Energy: 1.995116086931859
Energy: 2.0042443843222393
Energy: 1.994540446602224
Energy: 1.916948046290919
Energy: 1.9403469371198625
Energy: 1.9647771405265004
Energy: 2.018397067199672
Energy: 1.9395538036040527
Energy: 1.9403469371170174
Energy: 1.9647771405241297
Energy: 2.0183970671968265
Energy: 2.122301086768443
Energy: 1.9946977799143295
Energy: 1.9640223518153626
Energy: 1.994758511114084
Energy: 2.1223010867722363
Energy: 1.9946977799015266
Energy: 1.9640223518177335
Energy: 1.9402790591731993
Energy: 1.8017903270855142
Energy: 1.89492402882635
Energy: 1.8018575024260248
Energy: 1.940279059174148
Energy: 1.8017903270807725
Energy: 1.8949240288272984
Energy: 2.122139016631087
Energy: 1.99486267912515
Energy: 1.940949762880141
Energy: 1.9946789668736045
Energy: 2.122139016633458
Energy: 1.9948626791151922
Energy: 1.9409497628758732
Energy: 1.940550704380252
Energy: 1.939661046338268
Energy: 2.0183866541172746
Energy: 1.9647566633617282
Energy: 1.940550704377407
Energy: 1.93966104634301
Energy: 2.0183866541130064
Energy: 2.004128843134745
Energy: 1.995112168449068
Energy: 1.9229996184846683
Energy: 1.9945268719650047
Energy: 2.0041288431480218
Energy: 1.995112168459931
Energy: 1.9229996184846683
Energy: 1.94035144287638
Energy: 1.9378076382702498
Energy: 1.788108098356426
Energy: 1.9669014659550659
Energy: 1.9403514428683186
Energy: 1.937807638260766
Energy: 1.7881080983592712
Energy: 1.9619958302930784
Energy: 1.9948934890787773
Energy: 1.9483710676252401
Energy: 1.8271608066439455
Energy: 1.9619958302945009
Energy: 1.994893489068345
Energy: 1.948371067627137
Energy: 1.9414747553139862
Energy: 1.9644811302880851
Energy: 1.7882640928237163
Energy: 1.9639874785272045
Energy: 1.9414747553187282
Energy: 1.9644811302861884
Energy: 1.7882640928161293
Energy: 1.9620040322009908
Energy: 1.9973325031265936
Energy: 2.0225693275765404
Energy: 1.9975609930766016
Energy: 1.962004032194352
Energy: 1.997332503120472
Energy: 2.022569327577489
Energy: 1.9414726802507571
Energy: 1.9640459005638884
Energy: 1.7881411234494122
Energy: 1.9643509115806705
Energy: 1.9414726802483864
Energy: 1.9640459005743203
Energy: 1.7881411234508346
Energy: 1.962030862945127
Energy: 1.8269519516552297
Energy: 1.8472672613646233
Energy: 1.9949334265481542
Energy: 1.9620308629536625
Energy: 1.8269519516547557
Energy: 1.8472672613622525
Energy: 1.9508529536599133
Energy: 1.9663897734317752
Energy: 1.7881473004250212
Energy: 1.9379121861402375
Energy: 1.9508529536693537
Energy: 1.9663897734298783
Energy: 1.7881473004259698
Energy: 2.004244384320817
Energy: 1.9945404466055434
Energy: 1.9169480462814354
Energy: 1.995116086931859
Energy: 2.004244384321291
Energy: 1.9945404466012757
Energy: 1.916948046282858
Energy: 1.9403469371160689
Energy: 1.964777140527923
Energy: 2.018397067198249
Energy: 1.939553803609269
Energy: 1.9403469371146462
Energy: 1.9647771405255523
Energy: 2.0183970671930327
Energy: 2.1223010867622785
Energy: 1.9946977799148038
Energy: 1.9422141216003208
Energy: 1.9947585111150326
Energy: 2.1223010867689167
Energy: 1.9946977799015266
Energy: 1.9422141216074336
Energy: 1.9402790591708283
Energy: 1.801790327082669
Energy: 1.8949240288277727
Energy: 1.8018575024260248
Energy: 1.940279059174622
Energy: 1.8017903270821949
Energy: 1.89492402882635
Energy: 2.122139016628716
Energy: 1.9948626791260984
Energy: 1.910825945442499
Energy: 1.9946789668717073
Energy: 2.122139016635829
Energy: 1.9948626791142436
Energy: 1.9108259454619407
Energy: 1.9405507043812003
Energy: 1.9396610463392163
Energy: 2.0183866541182227
Energy: 1.9647566633622022
Energy: 1.9405507043793035
Energy: 1.939661046343958
Energy: 2.018386654114903
Energy: 2.0041288431361672
Energy: 1.995112168450016
Energy: 1.7764048809271142
Energy: 1.994526871963582
Energy: 2.0041288431418574
Energy: 1.9951121684594568
Energy: 1.7764048809323303
Energy: 1.94035144287638
Energy: 1.9378076382716725
Energy: 1.788108098354529
Energy: 1.9669014659526949
Energy: 1.9403514428683186
Energy: 1.9378076382574465
Energy: 1.788108098357374
Energy: 1.9619958302921299
Energy: 1.994893489078303
Energy: 1.9414886493227217
Energy: 1.8271608066444196
Energy: 1.9619958302973028
Energy: 1.9948934890688195
Energy: 1.9414886493137122
Energy: 1.941474755313512
Energy: 1.9644811302895078
Energy: 1.7882640928222941
Energy: 1.9639874785267304
Energy: 1.941474755317306
Energy: 1.9644811302895078
Energy: 1.7882640928142326
Energy: 1.9620040321990937
Energy: 1.9973325031252138
Energy: 1.9425046214706783
Energy: 1.9975609930784983
Energy: 1.9620040321929295
Energy: 1.9973325031214206
Energy: 1.9425046214592978
Energy: 1.941472680252654
Energy: 1.9640459005667337
Energy: 1.7881411234532054
Energy: 1.9643509115811446
Energy: 1.941472680249809
Energy: 1.9640459005733724
Energy: 1.7881411234517828

minimum gb energy = 1.7764048809271142 eV
minimum distance =  2.30354276966066 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 2.056161920421393
Energy: 1.929285375149801
Energy: 1.9000195721977646
Energy: 1.9293878817689734
Energy: 2.056161920425998
Energy: 1.929285375155557
Energy: 1.9000195721931854
Energy: 2.0472890876151792
Energy: 1.918580471635697
Energy: 1.7325753050510786
Energy: 1.9186822288410157
Energy: 2.0472890876140286
Energy: 1.9185804716397261
Energy: 1.7325753050522297
Energy: 2.055959825861733
Energy: 1.887959968813391
Energy: 1.8688573294633681
Energy: 1.9343319444502671
Energy: 2.055959825858279
Energy: 1.8879599688076347
Energy: 1.8688573294645194
Energy: 2.0545435697767696
Energy: 1.9285632635543637
Energy: 1.83942600591306
Energy: 1.9186634861328666
Energy: 2.054543569773315
Energy: 1.9285632635520609
Energy: 1.8394260059096061
Energy: 1.9448078649322402
Energy: 1.8390274471502916
Energy: 1.9695248471331877
Energy: 1.8385288500197774
Energy: 1.9448078649322402
Energy: 1.839027447151443
Energy: 1.9695248471400955
Energy: 2.054309976134537
Energy: 1.8448857024549021
Energy: 2.0756763187486063
Energy: 1.9195771550794953
Energy: 2.054309976134537
Energy: 1.844885702455478
Energy: 2.0756763187497573
Energy: 2.003816070976978
Energy: 1.8390717462574842
Energy: 1.968678170944823
Energy: 1.963253237512866
Energy: 2.0038160709735235
Energy: 1.839071746255757
Energy: 1.968678170944823
Energy: 1.9942298788118404
Energy: 1.9327044182783653
Energy: 2.075517936539623
Energy: 1.9197329945115236
Energy: 1.994229878813567
Energy: 1.9327044182806683
Energy: 2.075517936539623
Energy: 2.0045701594310743
Energy: 1.9191547423036972
Energy: 1.9020702547358599
Energy: 1.9571908713769155
Energy: 2.0045701594310743
Energy: 1.919154742302546
Energy: 1.9020702547404653
Energy: 2.0036132239015507
Energy: 1.9461475165539392
Energy: 1.8147666529243205
Energy: 1.9189604779812943
Energy: 2.003613223904429
Energy: 1.9461475165499096
Energy: 1.8147666529243205
Energy: 2.084462497462141
Energy: 1.9342173186436944
Energy: 1.9784855258648228
Energy: 1.9316755693969232
Energy: 2.0844624974581114
Energy: 1.9342173186431189
Energy: 1.9784855258630958
Energy: 1.8324072582218687
Energy: 1.9445054029429751
Energy: 1.8387143170723013
Energy: 1.8359989711163647
Energy: 1.8324072582201416
Energy: 1.9445054029487316
Energy: 1.8387143170717255
Energy: 2.0772359918812335
Energy: 1.9334613562760599
Energy: 1.9865739292405837
Energy: 1.9188275607771317
Energy: 2.077235991880082
Energy: 1.9334613562766356
Energy: 1.9865739292377054
Energy: 1.8324512773734638
Energy: 1.9449995495448984
Energy: 1.9126090819514177
Energy: 1.8359843355336234
Energy: 1.8324512773717367
Energy: 1.944999549547201
Energy: 1.9126090819519932
Energy: 2.0514319980700337
Energy: 1.8609008503492739
Energy: 1.8393863397299204
Energy: 1.9184675075386428
Energy: 2.0514319980711853
Energy: 1.8609008503486983
Energy: 1.8393863397304961
Energy: 1.8331972359949644
Energy: 1.9999701944329105
Energy: 1.913490645564749
Energy: 1.9406924214563905
Energy: 1.8331972359966915
Energy: 1.9999701944352128
Energy: 1.913490645560144
Energy: 2.0517310391720716
Energy: 1.8609693122233162
Energy: 2.0290312266957584
Energy: 1.9186745946175356
Energy: 2.0517310391755257
Energy: 1.860969312218711
Energy: 2.029031226695183
Energy: 1.8332312821250438
Energy: 1.9432008315634643
Energy: 1.9103670553252057
Energy: 2.0842552167875197
Energy: 1.8332312821267704
Energy: 1.9432008315651912
Energy: 1.91036705532463
Energy: 2.0563527027292228
Energy: 1.8609407105553488
Energy: 1.9795656284413243
Energy: 1.91869595935157
Energy: 2.0563527027292228
Energy: 1.8609407105524705
Energy: 1.979565628446505
Energy: 1.8330871711750403
Energy: 2.0288404797225974
Energy: 1.8906090555468036
Energy: 2.028739681002257
Energy: 1.8330871711733132
Energy: 2.0288404797220214
Energy: 1.8906090555421988
Energy: 2.0560442665477825
Energy: 1.9186880672254676
Energy: 1.9792522228125957
Energy: 1.8611236697262115
Energy: 2.05604426654548
Energy: 1.91868806722777
Energy: 1.979252222815474
Energy: 1.833247000808777
Energy: 2.08424783217306
Energy: 1.9103514382079902
Energy: 1.9436426258507662
Energy: 1.8332470008099284
Energy: 2.084247832174787
Energy: 1.9103514382102929
Energy: 2.0515399557683014
Energy: 1.9186762374099298
Energy: 2.029265904260689
Energy: 1.8609328287356157
Energy: 2.0515399557688774
Energy: 1.9186762374087787
Energy: 2.0292659042537817
Energy: 1.833188402417132
Energy: 1.9409946087690084
Energy: 1.9131446995970391
Energy: 2.000347088306465
Energy: 1.833188402413678
Energy: 1.9409946087718863
Energy: 1.9131446995930095
Energy: 2.0514897574580147
Energy: 1.9183908007098385
Energy: 1.7411064771601261
Energy: 1.8609044849052745
Energy: 2.0514897574557116
Energy: 1.9183908007081116
Energy: 1.741106477155521

minimum gb energy = 1.7325753050510786 eV
minimum distance =  2.33630160167429 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.8151093620496033
Energy: 1.914376620696154
Energy: 1.8176073814591018
Energy: 1.9142568603193952
Energy: 1.8151093620528158
Energy: 1.914376620696154
Energy: 1.8176073814591018
Energy: 1.9921211536902494
Energy: 1.9202871468458766
Energy: 1.7437130542197499
Energy: 1.8695971349645748
Energy: 1.9921211536709735
Energy: 1.9202871468394513
Energy: 1.7437130542390258
Energy: 1.815314793698316
Energy: 1.7885310349892802
Energy: 1.8024255678100103
Energy: 1.8776905928583014
Energy: 1.8153147936918905
Energy: 1.7885310349924928
Energy: 1.8024255678260739
Energy: 1.7669289692178984
Energy: 1.870323131471036
Energy: 1.75174229617622
Energy: 1.8696672377508905
Energy: 1.7669289692146857
Energy: 1.8703231314581852
Energy: 1.7517422961730074
Energy: 1.7905749790300411
Energy: 1.773024448587238
Energy: 1.7483793141050512
Energy: 1.7584123730896843
Energy: 1.7905749790524714
Energy: 1.7730244486000888
Energy: 1.7483793140793498
Energy: 1.7668974020103607
Energy: 1.7574241876778098
Energy: 1.8491496757348764
Energy: 1.8442000707849415
Energy: 1.7668974020007224
Energy: 1.7574241876970857
Energy: 1.8491496757316639
Energy: 1.7724712284392028
Energy: 1.7727695679089148
Energy: 1.7176548132134308
Energy: 1.7782009904282767
Energy: 1.772471228445628
Energy: 1.7727695679121271
Energy: 1.717654813210218
Energy: 1.7794098364319166
Energy: 1.77626145621136
Energy: 1.7930175495427447
Energy: 1.8170462772571248
Energy: 1.7794098364222786
Energy: 1.7762614562242107
Energy: 1.7930175495587495
Energy: 1.7726427053801084
Energy: 1.7918313703550537
Energy: 1.9214610892988573
Energy: 1.7651025246214962
Energy: 1.772642705373683
Energy: 1.7918313703646918
Energy: 1.9214610892924318
Energy: 1.7660240936819545
Energy: 1.8192220595299844
Energy: 1.8428558004599593
Energy: 1.8412590347121995
Energy: 1.7660240936883798
Energy: 1.8192220595363515
Energy: 1.8428558004535338
Energy: 1.7724144404958175
Energy: 1.824698299516752
Energy: 1.860110060490922
Energy: 1.7656276564134679
Energy: 1.7724144404958175
Energy: 1.8246982995296026
Energy: 1.8601100605069851
Energy: 1.7657748004524427
Energy: 1.7972248078576856
Energy: 1.7962135959008305
Energy: 1.817168355042234
Energy: 1.7657748004620808
Energy: 1.7972248078640527
Energy: 1.7962135959008305
Energy: 1.772571888631094
Energy: 1.7484632903299524
Energy: 1.8600732846459416
Energy: 1.7981321929950076
Energy: 1.7725718886375188
Energy: 1.748463290323527
Energy: 1.8600732846459416
Energy: 1.8190118539562772
Energy: 1.8631609631560913
Energy: 1.8343908647502405
Energy: 1.8233483066283076
Energy: 1.8190118539434266
Energy: 1.8631609631625166
Energy: 1.8343908647758835
Energy: 1.7722979156547205
Energy: 1.8531952280014667
Energy: 1.8783895003469298
Energy: 1.8666445042618676
Energy: 1.7722979156515077
Energy: 1.8531952280143174
Energy: 1.8783895003501423
Energy: 1.8188867997927125
Energy: 1.7973422541336284
Energy: 1.8155785950300258
Energy: 1.7978762516293252
Energy: 1.8188867998119886
Energy: 1.7973422541368407
Energy: 1.8155785950332382
Energy: 1.8095090194555463
Energy: 1.7490836967721006
Energy: 1.919797765715058
Energy: 1.798301970897904
Energy: 1.8095090194651842
Energy: 1.7490836967817387
Energy: 1.9197977657118452
Energy: 1.7656449803794423
Energy: 1.7968932508733473
Energy: 1.8154228933243455
Energy: 1.7594137378666896
Energy: 1.7656449803698042
Energy: 1.7968932508797724
Energy: 1.8154228933307708
Energy: 1.809972899338621
Energy: 1.7960740371680144
Energy: 1.8180432057897733
Energy: 1.8139023933055562
Energy: 1.8099728993514719
Energy: 1.7960740371648019
Energy: 1.8180432058219003
Energy: 1.763449264642008
Energy: 1.7951405828954277
Energy: 1.8309925262785605
Energy: 1.7946332256378168
Energy: 1.763449264651646
Energy: 1.795140582908278
Energy: 1.8309925262785605
Energy: 1.811229307243008
Energy: 1.7912070426060929
Energy: 1.7754484853882013
Energy: 1.7756264453313604
Energy: 1.81122930723337
Energy: 1.791207042599726
Energy: 1.7754484853657708
Energy: 1.7634195577284675
Energy: 1.7934997964043744
Energy: 1.8500193787686854
Energy: 1.7943769409254529
Energy: 1.7634195577541107
Energy: 1.793499796388311
Energy: 1.850019378781536
Energy: 1.811316060191
Energy: 1.7928964145665054
Energy: 1.9253422503110602
Energy: 1.8063684703797847
Energy: 1.811316060181362
Energy: 1.7928964145857813
Energy: 1.9253422503110602
Energy: 1.7674165690735448
Energy: 1.8230559173486396
Energy: 1.8567671099523124
Energy: 1.794741563741491
Energy: 1.7674165690606938
Energy: 1.8230559173742826
Energy: 1.8567671099330363
Energy: 1.8112628943241598
Energy: 1.9011204031336844
Energy: 1.8955314310200566
Energy: 1.9191359385536373
Energy: 1.8112628943177345
Energy: 1.9011204031240463
Energy: 1.8955314310168436
Energy: 1.8013019243242852
Energy: 1.7946260676262218
Energy: 1.9212615434059601
Energy: 1.7464147490020512
Energy: 1.8013019243146473
Energy: 1.7946260676133712
Energy: 1.921261543399535
Energy: 2.0671162404195877
Energy: 1.9010425662321064
Energy: 1.8080684904508313
Energy: 1.9204520872060946
Energy: 2.0671162404195877
Energy: 1.901042566228894
Energy: 1.808068490434768
Energy: 1.8011935718179097
Energy: 1.8241686763640543
Energy: 1.8787832353570417
Energy: 1.8791789526256928
Energy: 1.8011935718179097
Energy: 1.824168676338353
Energy: 1.8787832353602547
Energy: 2.0667436736847336
Energy: 1.901049299739256
Energy: 1.771274217006925
Energy: 1.9205174293879719
Energy: 2.066743673710435
Energy: 1.9010492997488941
Energy: 1.7712742170165627
Energy: 1.801157526431765
Energy: 1.794068105897382
Energy: 1.901127414076451
Energy: 1.7453714072519222
Energy: 1.8011575264285526
Energy: 1.7940681059102328
Energy: 1.9011274140828178
Energy: 1.8139444079526343
Energy: 1.9019014627623672
Energy: 1.8520169753215436
Energy: 1.9200896704869692
Energy: 1.8139444079429965
Energy: 1.9019014627655801
Energy: 1.8520169753407614
Energy: 1.80101551900668
Energy: 1.7796267770153114
Energy: 1.793466129318224
Energy: 1.741791442671345
Energy: 1.8010155190034673
Energy: 1.7796267770313747
Energy: 1.7934661293053735
Energy: 1.8137489141976573
Energy: 1.7885230021688758
Energy: 1.8516092367397063
Energy: 1.795705771383074
Energy: 1.8137489141848067
Energy: 1.7885230021785141
Energy: 1.851609236723643
Energy: 1.8388541490553345
Energy: 1.7793925647689455
Energy: 1.8675881655789686
Energy: 1.786308277053978
Energy: 1.838854149023208
Energy: 1.7793925647721582
Energy: 1.867588165575756
Energy: 1.8397850033384222
Energy: 1.782267906381491
Energy: 1.7707582444410794
Energy: 1.7943330885865771
Energy: 1.8397850033448477
Energy: 1.782267906381491
Energy: 1.7707582444475045
Energy: 1.8394997539986018
Energy: 1.7943404903458262
Energy: 1.8670721328454987
Energy: 1.8236089805564148
Energy: 1.8394997539953888
Energy: 1.7943404903233375
Energy: 1.8670721328294353
Energy: 1.8400668953496546
Energy: 1.7939179315856244
Energy: 1.8351616716902825
Energy: 1.8056161856149524
Energy: 1.840066895346442
Energy: 1.7939179315856244
Energy: 1.8351616716710066
Energy: 1.8426424853196393
Energy: 1.7851713288830324
Energy: 1.835943644825287
Energy: 1.8245761225333228
Energy: 1.8426424853035757
Energy: 1.7851713288733946
Energy: 1.8359436448284994
Energy: 1.8396544337574259
Energy: 1.913266679010838
Energy: 1.8786826238297736
Energy: 1.791138934803068
Energy: 1.8396544337606386
Energy: 1.913266679010838
Energy: 1.8786826238169227
Energy: 1.8398941690250925
Energy: 1.8523888988035604
Energy: 1.8580832592341614
Energy: 1.7902172801546876
Energy: 1.8398941690411559
Energy: 1.8523888987971353
Energy: 1.8580832592245233
Energy: 1.9646356325772023
Energy: 1.7915358205815533
Energy: 1.8939997702035367
Energy: 1.7909357511548514
Energy: 1.9646356325739895
Energy: 1.7915358205815533
Energy: 1.8939997702195417
Energy: 1.8401394899756525
Energy: 1.7582645856802301
Energy: 1.8789892911288815
Energy: 1.7835113536766156
Energy: 1.8401394899628016
Energy: 1.7582645856930808
Energy: 1.8789892911320942
Energy: 1.867008641958223
Energy: 1.792402570049624
Energy: 1.8050921042103376
Energy: 1.7909005430207947
Energy: 1.8670086419550107
Energy: 1.7924025700656876
Energy: 1.8050921042167631
Energy: 1.835450082001748
Energy: 1.8182034215240934
Energy: 1.846646330991008
Energy: 1.7977627251348183
Energy: 1.8354500819760469
Energy: 1.8182034215272478
Energy: 1.84664633098137
Energy: 1.7618134388291642
Energy: 1.7946622084794304
Energy: 1.8036434403858579
Energy: 1.8003074623866087
Energy: 1.7618134388355897
Energy: 1.7946622084890684
Energy: 1.80364344039865

minimum gb energy = 1.717654813210218 eV
minimum distance =  2.30045943110176 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.7012912826705495
Energy: 1.4622064634642247
Energy: 2.53182873984121
Energy: 1.4622064634642247
Energy: 1.7012912826662037
Energy: 1.4622064634642247
Energy: 1.6701685156464787
Energy: 1.7012912826712738
Energy: 1.4622064634635004
Energy: 2.531828739845556
Energy: 1.4622064634656735
Energy: 1.7012912826741713
Energy: 1.4622064634613272
Energy: 2.5318287398426587
Energy: 1.7012912826705495
Energy: 1.4622064634613272
Energy: 2.53182873984121
Energy: 1.4622064634598788
Energy: 1.7012912826712738
Energy: 1.4622064634649492
Energy: 2.5318287398441073
Energy: 1.7012912826719984
Energy: 1.4622064634635004
Energy: 2.5318287398397614
Energy: 1.4622064634642247
Energy: 1.7012912826640307
Energy: 1.4622064634649492
Energy: 2.53182873984121
Energy: 1.7012912826705495
Energy: 1.462206463462776
Energy: 2.5318287398448316
Energy: 1.4622064634635004
Energy: 1.7012912826748956
Energy: 1.4622064634613272
Energy: 1.670168515679041
Energy: 1.7012912826719984
Energy: 1.4622064634613272
Energy: 1.6701685157637556
Energy: 1.4622064634613272
Energy: 1.701291282673447
Energy: 1.4622064634642247
Energy: 1.6701685157514417
Energy: 1.7012912826691011
Energy: 1.4622064634635004
Energy: 2.5318287398404857
Energy: 1.4622064634649492
Energy: 1.7012912826683766
Energy: 1.4622064634642247
Energy: 1.6701685157514417
Energy: 1.7012912826712738
Energy: 1.4622064634635004
Energy: 2.531828739845556
Energy: 1.4622064634649492
Energy: 1.7012912826748956
Energy: 1.4622064634613272
Energy: 1.6456303549624276
Energy: 1.7012912826698252
Energy: 1.4622064634606033
Energy: 2.531828739841934
Energy: 1.4622064634620517
Energy: 1.7012912826691011
Energy: 1.4622064634642247
Energy: 2.5318287398441073
Energy: 1.7012912826719984
Energy: 1.4622064634642247
Energy: 1.8897586784732767
Energy: 1.4622064634642247
Energy: 1.7012912826654794
Energy: 1.4622064634635004
Energy: 1.7002731422894826
Energy: 1.7012912826698252
Energy: 1.462206463462776
Energy: 1.6701685158158748
Energy: 1.4622064634635004
Energy: 1.7012912826741713
Energy: 1.4622064634606033
Energy: 1.8897586784768987
Energy: 1.7012912826683766
Energy: 1.4622064634620517
Energy: 2.531828739843383
Energy: 1.4622064634606033
Energy: 1.701291282673447
Energy: 1.4622064634649492
Energy: 2.5318287398448316
Energy: 1.7012912826741713
Energy: 1.4622064634635004
Energy: 1.8897586784747253
Energy: 1.4622064634635004
Energy: 1.7012912826654794
Energy: 1.4622064634649492
Energy: 1.7002731422887585
Energy: 1.7012912826705495
Energy: 1.462206463462776
Energy: 1.7002731422952775
Energy: 1.4622064634642247
Energy: 1.7012912826748956
Energy: 1.4622064634620517
Energy: 1.7002731422865855
Energy: 1.7012912826712738
Energy: 1.4622064634606033
Energy: 1.6456303549551843
Energy: 1.4622064634598788
Energy: 1.7012912826712738
Energy: 1.4622064634642247
Energy: 1.645630354956633
Energy: 1.701291282673447
Energy: 1.4622064634656735
Energy: 1.6456303549530111
Energy: 1.4622064634649492
Energy: 1.701291282662582
Energy: 1.4622064634649492
Energy: 1.7002731422887585
Energy: 1.7012912826683766
Energy: 1.4622064634635004
Energy: 1.7002731422952775
Energy: 1.4622064634642247
Energy: 1.7012912826727227
Energy: 1.4622064634606033
Energy: 1.8897586784747253
Energy: 1.7012912826691011
Energy: 1.4622064634613272
Energy: 1.8897586784725524
Energy: 1.4622064634613272
Energy: 1.7012912826705495
Energy: 1.4622064634649492
Energy: 1.8897586784703795
Energy: 1.701291282673447
Energy: 1.4622064634642247
Energy: 1.7002731422916557
Energy: 1.4622064634642247
Energy: 1.7012912826654794
Energy: 1.4622064634642247
Energy: 1.7002731422865855
Energy: 1.7012912826705495
Energy: 1.4622064634635004
Energy: 1.8897586784740013
Energy: 1.4622064634635004
Energy: 1.701291282673447
Energy: 1.4622064634620517
Energy: 1.8897586784732767

minimum gb energy = 1.4622064634598788 eV
minimum distance =  2.32144553180786 Angstroms
sigma value = 23