Model name: model_name=MEAM_LAMMPS_KimJungLee_2009_FeTiC__MO_110119204723_000
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=3.611098542809487
cohesive_energy=4.242432836593574
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: 0.02012726948389999
Energy: 0.47271281564254486
Energy: 0.6949581811061878
Energy: 0.4728212839387406
Energy: 0.020127269481390875
Energy: 0.47271281564228823
Energy: 0.7111268212466171
Energy: 0.4869930441609481
Energy: 0.02070980681774203
Energy: 0.24327706295287216
Energy: 0.020996104564486827
Energy: 0.4869930441609481
Energy: 0.02070980681774203
Energy: 0.24327706295287216
Energy: 0.02012726948389999
Energy: 0.47271281564280143
Energy: 0.6949581811061878
Energy: 0.472821283938484
Energy: 0.020127269481390875
Energy: 0.47271281564254486
Energy: 0.7111268212466171
Energy: 0.4869930441609481
Energy: 0.02070980681774203
Energy: 0.24327706295287216
Energy: 0.020996104564486827
Energy: 0.4869930441609481
Energy: 0.02070980681774203
Energy: 0.24327706295287216
Energy: 0.02012726948389999
Energy: 0.47271281564254486
Energy: 0.6949581811061878
Energy: 0.4728212839389972
Energy: 0.020127269481390875
Energy: 0.472712815641775
Energy: 0.7111268212466171
Energy: 0.4869930441609481
Energy: 0.02070980681774203
Energy: 0.24327706295287216
Energy: 0.020996104564486827
Energy: 0.4869930441609481
Energy: 0.02070980681774203
Energy: 0.24327706295287216

minimum gb energy = 0.020127269481390875 eV
minimum distance =  2.52916092127985 Angstroms
sigma value = 5


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

Energy: 0.8278935749830771
Energy: 0.9586645090142863
Energy: 0.8514568105710967
Energy: 0.9590069121231464
Energy: 0.8278935749830771
Energy: 0.958664509011221
Energy: 0.8583314811804482
Energy: 0.8895800556463117
Energy: 0.9152505080136999
Energy: 0.889492808212174
Energy: 0.925058330314111
Energy: 0.8895800556463117
Energy: 0.9152505080136999
Energy: 0.889492808212174
Energy: 0.8736903883619922
Energy: 0.8675662252045647
Energy: 0.858379672020645
Energy: 0.5669455050356703
Energy: 0.8736903883650576
Energy: 0.8675662252045647
Energy: 0.8583796720237105
Energy: 0.9722383594517564
Energy: 0.8647258831037452
Energy: 0.8775715670233242
Energy: 0.9353715948338146
Energy: 0.972238359454822
Energy: 0.8647258831037452
Energy: 0.8775715670202587
Energy: 0.9732860036302838
Energy: 0.874278036650887
Energy: 0.9036284081284589
Energy: 0.8553524615697322
Energy: 0.9732860036394801
Energy: 0.8742780366447562
Energy: 0.9036284081284589
Energy: 0.9161168889339945
Energy: 0.9134463715064749
Energy: 0.8716003619268564
Energy: 0.9556413310373023
Energy: 0.9161168889339945
Energy: 0.9134463715034093
Energy: 0.8716003619237911
Energy: 0.9202661708124885
Energy: 0.8662529155305271
Energy: 0.8914928150568157
Energy: 0.8751917335972449
Energy: 0.9202661708124885
Energy: 0.8662529155366577
Energy: 0.891492815050685
Energy: 0.9213779260549972
Energy: 0.8755152384283909
Energy: 0.8309242818921235
Energy: 0.8848085009788105
Energy: 0.9213779260641933
Energy: 0.8755152384283909
Energy: 0.8309242818982542
Energy: 0.9260153533894904
Energy: 0.9387885422780881
Energy: 0.8342767968489673
Energy: 0.6617191563161173
Energy: 0.926015353386425
Energy: 0.9387885422750228
Energy: 0.8342767968489673
Energy: 0.9698269641649496
Energy: 0.8751916457789978
Energy: 0.8492422408425315
Energy: 0.9176445671329809
Energy: 0.969826964158819
Energy: 0.8751916457820632
Energy: 0.8492422408394663
Energy: 0.9217100709328901
Energy: 0.9415518651573797
Energy: 0.8785485389456471
Energy: 0.9123275735145869
Energy: 0.9217100709267594
Energy: 0.9415518651573797
Energy: 0.8785485389487125
Energy: 0.9284775883804502
Energy: 0.9519654394342616
Energy: 0.8725790279901818
Energy: 0.8503713253967338
Energy: 0.9284775883743196
Energy: 0.951965439431196
Energy: 0.8725790279779204
Energy: 0.9787854255668691
Energy: 0.9521664881665851
Energy: 0.886949189663341
Energy: 0.534637103627393
Energy: 0.9787854255729997
Energy: 0.9521664881727158
Energy: 0.8869491896602757
Energy: 0.8665034102045914
Energy: 0.9147539535177276
Energy: 0.9262680498579062
Energy: 0.8960181985262045
Energy: 0.8665034102107222
Energy: 0.9147539535269235
Energy: 0.9262680498517755
Energy: 0.9417940208783538
Energy: 0.9640919829360616
Energy: 0.8940152281118818
Energy: 0.9453526778056442
Energy: 0.9417940208783538
Energy: 0.9640919829421922
Energy: 0.8940152281118818
Energy: 0.9609214026008984
Energy: 0.8520735591156791
Energy: 0.8958381013742792
Energy: 0.8899959767199852
Energy: 0.9609214026039081
Energy: 0.8520735591187444
Energy: 0.8958381013742792
Energy: 0.922928982747996
Energy: 0.9554186977704026
Energy: 0.8779872716613621
Energy: 0.9949574519757034
Energy: 0.9229289827387999
Energy: 0.9554186977704026
Energy: 0.8779872716613621
Energy: 0.8877975844712723
Energy: 0.8728865731190176
Energy: 0.8908035916209914
Energy: 0.5972850014125568
Energy: 0.8877975844682068
Energy: 0.8728865731190176
Energy: 0.8908035916209914
Energy: 0.9782827352128766
Energy: 0.9080556656564766
Energy: 0.9190734343738928
Energy: 0.9282446238790315
Energy: 0.9782827352128766
Energy: 0.908055665659542
Energy: 0.9190734343738928
Energy: 0.9990260503878893
Energy: 0.8742424060764041
Energy: 0.8524055674304178
Energy: 0.8827570281338705
Energy: 0.9990260503848237
Energy: 0.8742424060794696
Energy: 0.8524055674273524
Energy: 0.9655047604339969
Energy: 0.872665811623106
Energy: 0.8276649476556203
Energy: 0.8953912473716257
Energy: 0.9655047604309315
Energy: 0.872665811623106
Energy: 0.8276649476586855
Energy: 0.9213308662082775
Energy: 0.8784527558007115
Energy: 0.8782356249886055
Energy: 0.9067355202211789
Energy: 0.9213308662021468
Energy: 0.8784527558037768
Energy: 0.878235624991671
Energy: 0.9369784119287273
Energy: 0.8765052550982785
Energy: 0.8379567686385957
Energy: 0.8611783794622291
Energy: 0.9369784119348581
Energy: 0.8765052550921477
Energy: 0.8379567686416611
Energy: 0.9859124053915421
Energy: 0.9082884370002657
Energy: 0.8631952531134435
Energy: 0.8370038156090129
Energy: 0.9859124053884767
Energy: 0.908288436994135
Energy: 0.8631952531073128
Energy: 0.97869526536036
Energy: 0.8679669718799552
Energy: 0.8891351288551507
Energy: 0.5041130684837796
Energy: 0.97869526536036
Energy: 0.8679669718676939
Energy: 0.9011764258455669
Energy: 0.8997315121820564
Energy: 0.9397067873414077
Energy: 0.9670000119585193
Energy: 0.8835821204871132
Energy: 0.8997315121789909
Energy: 0.9397067873414077
Energy: 0.9670000119615846
Energy: 0.9205551435723593
Energy: 0.9622623805484926
Energy: 0.8605187854788399
Energy: 0.8516509942559793
Energy: 0.9205551435692939
Energy: 0.9622623805546233
Energy: 0.8080024862706612
Energy: 1.004928848671782
Energy: 0.8965995346064102
Energy: 0.9091873975210513
Energy: 0.8959775191635923
Energy: 1.0049288486657069
Energy: 0.8965995346094755
Energy: 0.9091873975210513
Energy: 0.9003182256007065
Energy: 0.9051953673007247
Energy: 0.8711986502889606
Energy: 0.9384277371282105
Energy: 0.9003182256007065
Energy: 0.9051953673007247
Energy: 0.8819510821548144
Energy: 0.8862620567444239
Energy: 0.9235236925431384
Energy: 0.9417077658152818
Energy: 0.9229403471499354
Energy: 0.8862620567382932
Energy: 0.9235236925431384
Energy: 0.9417077658274876
Energy: 0.9997990236066211
Energy: 0.8823852008898465
Energy: 0.8738850991625171
Energy: 0.9002580461431404
Energy: 0.9997990235974249
Energy: 0.8823852008929118
Energy: 0.8215461088704413
Energy: 0.9595754329846642
Energy: 0.8816713954854866
Energy: 0.9081217643690582
Energy: 0.88278774949446
Energy: 0.9595754329938603
Energy: 0.8816713954793558
Energy: 0.9081217643690582
Energy: 0.9548221314684616
Energy: 0.849053148423292
Energy: 0.8798862279303502
Energy: 0.876000011593903
Energy: 0.9548221314745924
Energy: 0.8490531484263574
Energy: 0.8798862279426116
Energy: 0.9591254990137165
Energy: 0.8754595378887451
Energy: 0.8404002741861194
Energy: 0.9077622490592457
Energy: 0.9591254990137165
Energy: 0.8754595378887451
Energy: 0.8404002741799886
Energy: 0.9616664858674903
Energy: 0.875984979534761
Energy: 0.834505364967135
Energy: 0.8712783583843379
Energy: 0.9616664858644249
Energy: 0.8759849795378264
Energy: 0.8345053649610042
Energy: 0.9984187299635562
Energy: 0.8902835093951242
Energy: 0.8529299623476633
Energy: 0.5127434209470487
Energy: 0.9984187299635562
Energy: 0.8902835093889935
Energy: 0.8529299623476633
Energy: 0.9336663621822798
Energy: 0.9287603876815074
Energy: 0.8854356707540739
Energy: 0.9080123364576296
Energy: 0.9336663621822798
Energy: 0.9287603876937689
Energy: 0.8854356707540739
Energy: 0.9156257971409153
Energy: 0.5792313074913452
Energy: 0.9250188535726797
Energy: 0.8716228663117138
Energy: 0.9156257971347846
Energy: 0.5792313074913452
Energy: 0.9250188535726797
Energy: 0.9346305352669568
Energy: 0.9407560970381019
Energy: 0.8157374665385965
Energy: 0.480306084482881
Energy: 0.9346305352669568
Energy: 0.9407560970442327
Energy: 0.815737466541662
Energy: 0.9907653168300129
Energy: 0.8656323146710964
Energy: 0.8703823533166993
Energy: 0.9335469939381603
Energy: 0.9907653168238821
Energy: 0.8656323146649657
Energy: 0.8703823533197647
Energy: 0.9428993083386175
Energy: 0.9189771499482828
Energy: 0.8845921454923492
Energy: 0.9287715218628004
Energy: 0.9428993083447481
Energy: 0.9189771499390867
Energy: 0.884592145489284
Energy: 0.978136261950571
Energy: 0.888689484779339
Energy: 0.9261773781240374
Energy: 0.9178865908815503
Energy: 0.9781362619597113
Energy: 0.8886894847762735
Energy: 0.9261773781271027
Energy: 0.9789962370811514
Energy: 0.5848895572770212
Energy: 0.8490949246203818
Energy: 0.9720321047029509
Energy: 0.9789962370842166
Energy: 0.5848895574547568
Energy: 0.8490949246142512
Energy: 0.9099662804577733
Energy: 0.8986051783502739
Energy: 0.8741114598664568
Energy: 0.9198560003421927
Energy: 0.9099662804516425
Energy: 0.8986051783472085
Energy: 0.8741114598664568
Energy: 0.9307891699246198
Energy: 0.9106365177347686
Energy: 0.8936157719896722
Energy: 0.9037971645402904
Energy: 0.9307891699276852
Energy: 0.910636517728638
Energy: 0.8936157719835415
Energy: 0.9883155688445605
Energy: 0.9184282474718867
Energy: 0.8379399767278536
Energy: 0.8979578670166988
Energy: 0.9883155688537565
Energy: 0.9184282474657559
Energy: 0.837939976730919
Energy: 0.9150509833435619
Energy: 0.8866747468847196
Energy: 0.8438857273654786
Energy: 0.8339197707498858
Energy: 0.9150509833404965
Energy: 0.8866747468877848
Energy: 0.8438857273654786

minimum gb energy = 0.480306084482881 eV
minimum distance =  2.27667997610059 Angstroms
sigma value = 401


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

Energy: 0.7992025076709364
Energy: 0.9251466879659351
Energy: 0.8949872393452853
Energy: 0.9831519944833056
Energy: 0.7992025076674568
Energy: 0.9251466879659351
Energy: 0.8949872393487649
Energy: 0.9780726872650674
Energy: 0.8432530962108435
Energy: 0.821543734064228
Energy: 1.0359350705596149
Energy: 0.9780726872615878
Energy: 0.8432530962108435
Energy: 0.8371429619567858
Energy: 0.9937813275133249
Energy: 0.9275080402662621
Energy: 0.8534591548035715
Energy: 0.8554703021803105
Energy: 0.9937813275098455
Energy: 0.9275080402662621
Energy: 0.822391525368627
Energy: 1.041624952554602
Energy: 0.9417527001838821
Energy: 0.8867876607931868
Energy: 0.917672423450812
Energy: 1.041624952554602
Energy: 0.9417527001908412
Energy: 0.8867876607966665
Energy: 0.9595680873906482
Energy: 0.9657670817075499
Energy: 0.8616368977599431
Energy: 0.9424262130992805
Energy: 0.9595680873906482
Energy: 0.9657670817040704
Energy: 0.8443876109521699
Energy: 0.9658089100516948
Energy: 0.9394903155498144
Energy: 0.9039362710431184
Energy: 1.020650973274037
Energy: 0.965808910058654
Energy: 0.9394903155498144
Energy: 0.8761137149255538
Energy: 0.9075692825133664
Energy: 0.9166228651800525
Energy: 0.9239810204098259
Energy: 0.9171311811218412
Energy: 0.9075692825098868
Energy: 0.9166228651765731
Energy: 0.9239810204098259
Energy: 0.8798143086936658
Energy: 0.9621236711542526
Energy: 0.9439498087527671
Energy: 0.924446865002726
Energy: 0.8798143086971454
Energy: 0.9621236711542526
Energy: 0.9439498087527671
Energy: 0.9241609717856223
Energy: 0.9670061102032222
Energy: 0.9653478725960821
Energy: 0.6561590981970027
Energy: 0.9241609717891016
Energy: 0.9670061102032222
Energy: 0.936239209961916
Energy: 0.9566728860603693
Energy: 0.9817822796582285
Energy: 0.9107967329591846
Energy: 0.7140576694113007
Energy: 0.9566728860568896
Energy: 0.9817822796582285
Energy: 0.910796732955705
Energy: 1.041679833707024
Energy: 0.9524934185484639
Energy: 0.9312326580635004
Energy: 0.7131673549156424
Energy: 1.0416798337105035
Energy: 0.9524934185519436
Energy: 0.969520347695621
Energy: 1.0165740690731415
Energy: 0.9185073638912893
Energy: 0.8446021888884684
Energy: 0.8520609095939657
Energy: 1.0165740690731415
Energy: 0.9185073638912893
Energy: 0.9019562255346075
Energy: 0.9107489598706036
Energy: 0.930880541876058
Energy: 0.9162796927594383
Energy: 0.8961711631185146
Energy: 0.9107489598740831
Energy: 0.9308805418795374
Energy: 0.9162796927559589
Energy: 0.9237576030521042
Energy: 0.9251466879694147
Energy: 0.8879329832136722
Energy: 0.9831519944902646
Energy: 0.9237576030521042
Energy: 0.9251466879659351
Energy: 0.8879329832101925
Energy: 0.9780726872650674
Energy: 0.8432530962108435
Energy: 0.7791559281898421
Energy: 0.9010830198865519
Energy: 0.9780726872615878
Energy: 0.8432530962143229
Energy: 0.8371429619602652
Energy: 0.9937813275098455
Energy: 0.9275080402662621
Energy: 0.8401950787419296
Energy: 0.8554703021803105
Energy: 0.9937813275098455
Energy: 0.9275080402662621
Energy: 0.8362234992120167
Energy: 1.041624952554602
Energy: -0.3776613601487284
Energy: 0.8453701555064251
Energy: 0.917672423450812
Energy: 1.041624952554602
Energy: -0.3770280733651005
Energy: 0.8453701555064251
Energy: 0.9595680873906482
Energy: 0.9703114067501794
Energy: 0.8443876109521699
Energy: 0.9424262130992805
Energy: 0.9595680873941279
Energy: 0.9703114067501794
Energy: 0.8443876109556493
Energy: 0.9639729561611959
Energy: 0.9394903155463349
Energy: 0.9039362710396388
Energy: 1.020650973274037
Energy: 0.9639729561577163
Energy: 0.9394903155463349
Energy: 0.8788523154798928
Energy: 0.9296811186345072
Energy: 0.9166228651800525
Energy: 0.9239810204098259
Energy: 0.9171311811218412
Energy: 0.9296811186345072
Energy: 0.9166228651800525
Energy: 0.9239810204098259
Energy: 0.8795423653313886
Energy: 0.9621236711542526
Energy: 0.9439498087492876
Energy: 0.9247213002998098
Energy: 0.8795423653313886
Energy: 0.962123671150773
Energy: 0.9439498087527671
Energy: 0.9241609717856223
Energy: 0.9670061102032222
Energy: 0.9068427148287583
Energy: 0.6561590982004823
Energy: 0.9241609717856223
Energy: 0.9670061102032222
Energy: 0.9068427148322378
Energy: 0.9566728860603693
Energy: 0.9817822796582285
Energy: 0.9320398074428727
Energy: 0.7140576694113007
Energy: 0.9566728860568896
Energy: 0.9817822796582285
Energy: 0.9529018535027597
Energy: 1.041679833707024
Energy: 0.8973953340543103
Energy: 0.969520347695621
Energy: 0.7131673549156424
Energy: 1.0416798337105035
Energy: 0.8973953340508307
Energy: 0.9695203476991006
Energy: 1.0164789860281072
Energy: 0.9185073638912893
Energy: 0.8853696779133569
Energy: 0.8520609095939657
Energy: 1.0164789860281072
Energy: 0.9185073638912893
Energy: 0.9019562255346075
Energy: 0.9096178423606169
Energy: 0.930880541876058
Energy: 0.8996918559784144
Energy: 0.8961711631185146
Energy: 0.9096178423675758
Energy: 0.9308805418795374
Energy: 0.9111246548563691
Energy: 0.7992025076674568
Energy: 0.9251466879659351
Energy: 0.8949872393452853
Energy: 0.9831519944867851
Energy: 0.7992025076674568
Energy: 0.9251466879659351
Energy: 0.8949872393522443
Energy: 0.9780726872650674
Energy: 0.8432530962108435
Energy: 0.8371429619602652
Energy: 1.035935070552656
Energy: 0.9780726872615878
Energy: 0.8432530962108435
Energy: 0.8371429619567858
Energy: 0.9937813275098455
Energy: 0.9275080402662621
Energy: 0.8328590021727812
Energy: 0.8554703021803105
Energy: 0.9937813275098455
Energy: 0.9275080402662621
Energy: 0.8328590021727812
Energy: 1.0416249525580814
Energy: 0.9417527001873616
Energy: 0.8022067481729264
Energy: 0.9176724234473324
Energy: 1.041624952554602
Energy: 0.9417527001873616
Energy: 0.8022067481729264
Energy: 0.9595680873906482
Energy: 0.9657670817075499
Energy: 0.8443876109521699
Energy: 0.9424262130992805
Energy: 0.9595680873941279
Energy: 0.9657670817075499
Energy: 0.8443876109521699
Energy: 0.9658089100516948
Energy: 0.9394903155498144
Energy: 0.9039362710396388
Energy: 1.020650973274037
Energy: 0.965808910058654
Energy: 0.9394903155463349
Energy: 0.9039362710431184
Energy: 0.9075692825098868
Energy: 0.9166228651800525
Energy: 0.9239810204098259
Energy: 0.9171311811218412
Energy: 0.9075692825098868
Energy: 0.9166228651765731
Energy: 0.9239810204098259
Energy: 0.8798143086901863
Energy: 0.962123671150773
Energy: 0.9439498087527671
Energy: 0.924446865002726
Energy: 0.8798143086936658
Energy: 0.9621236711542526
Energy: 0.9439498087562466
Energy: 0.9241609717856223
Energy: 0.9670061102032222
Energy: 0.9362392099584366
Energy: 0.6561590982039617
Energy: 0.9241609717856223
Energy: 0.9670061102032222
Energy: 0.9362392099584366
Energy: 0.9566728860603693
Energy: 0.9817822796582285
Energy: 0.9700372934520883
Energy: 0.7140576694113007
Energy: 0.9566728860568896
Energy: 0.9817822796582285
Energy: 0.9700372934520883
Energy: 1.041679833707024
Energy: 0.9524934185484639
Energy: 0.969520347695621
Energy: 0.7131673549121629
Energy: 1.0416798337105035
Energy: 0.9524934185519436
Energy: 0.969520347695621
Energy: 1.0165740690731415
Energy: 0.9185073638912893
Energy: 0.9019562255346075
Energy: 0.8520609095939657
Energy: 1.0165740690731415
Energy: 0.9185073638947688
Energy: 0.9019562255346075
Energy: 0.9107489598706036
Energy: 0.930880541876058
Energy: 0.9111246548563691
Energy: 0.8961711631185146
Energy: 0.9107489598740831
Energy: 0.9308805418795374
Energy: 0.9111246548563691
Energy: 0.9237576030486246
Energy: 0.9251466879694147
Energy: 0.8949872393452853
Energy: 0.9831519944867851
Energy: 0.9237576030521042
Energy: 0.9251466879624556
Energy: 0.8949872393487649
Energy: 0.9780726872615878
Energy: 0.8432530962108435
Energy: 0.8371429619567858
Energy: 0.9010830198865519
Energy: 0.9780726872615878
Energy: 0.8432530962108435
Energy: 0.8371429619602652

minimum gb energy = -0.3776613601487284 eV
minimum distance =  2.3216682566986 Angstroms
sigma value = 311


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

Energy: 0.9623043730513299
Energy: 1.0096198386012896
Energy: 0.9509584798054249
Energy: 1.0073197975460346
Energy: 0.962304373050928
Energy: 1.009619838601691
Energy: 0.9248919377995803
Energy: 0.9860106361493951
Energy: 0.9755257496821008
Energy: 0.9565757197695919
Energy: 0.9435514871358907
Energy: 0.9860106361518057
Energy: 0.9755257496812972
Energy: 0.9565757197699936
Energy: 0.8856520750412534
Energy: 0.8490440572839543
Energy: 0.9236284858171468
Energy: 0.868407754543821
Energy: 0.885652075040048
Energy: 0.8490440572855614
Energy: 0.9386501563612585
Energy: 0.8830160800130862
Energy: 0.8751857761716798
Energy: 0.895234129194785
Energy: 0.9407329827170919
Energy: 0.8830160800134879
Energy: 0.8751857761728852
Energy: 0.895234129194785
Energy: 0.8646003311398487
Energy: 0.8928225901541665
Energy: 0.8283529657880521
Energy: 0.8345572829253971
Energy: 0.8646003311398487
Energy: 0.8928225901565772
Energy: 0.82339211019771
Energy: 0.9623919898358058
Energy: 0.8996078403357576
Energy: 0.8637652314970021
Energy: 0.8705718105196654
Energy: 0.9623919898354039
Energy: 0.8996078403361594
Energy: 0.8637652314966004
Energy: 0.991737095299862
Energy: 0.9221672762499354
Energy: 0.8857557401045505
Energy: 0.8931605305182885
Energy: 0.9917370953010672
Energy: 0.9221672762487301
Energy: 0.8857557400885159
Energy: 0.8357984643081637
Energy: 0.8713675515054875
Energy: 0.9419897374601671
Energy: 0.9289028113087797
Energy: 0.8357984643073602
Energy: 0.8713675515042822
Energy: 0.9419897374597652
Energy: 0.9231750737009555
Energy: 0.882786791737768
Energy: 0.9815362714861599
Energy: 0.8671387140792414
Energy: 0.923175073700152
Energy: 0.882786791737768
Energy: 0.9698253586999579
Energy: 0.9155835386213023
Energy: 0.8864411910612755
Energy: 0.9217295052044211
Energy: 0.9249959288160157
Energy: 0.9155835386204987
Energy: 0.8864411910616773
Energy: 0.9217295052012069
Energy: 0.883755660923633
Energy: 0.9428162453533087
Energy: 0.9714699135310398
Energy: 0.936268545741219
Energy: 0.8837556609224277
Energy: 0.9428162453525051
Energy: 0.9714699135298347
Energy: 0.9143604096385027
Energy: 0.9109870431825718
Energy: 0.9097639523225646
Energy: 0.918222570774203
Energy: 0.9143604096389043
Energy: 0.9109870431841789
Energy: 0.9097639523229665
Energy: 0.9189994475422589
Energy: 0.9343205809497187
Energy: 0.9533753562449441
Energy: 0.9018448457463066
Energy: 0.9189994475430625
Energy: 0.9343205809505223
Energy: 0.9533753562421317
Energy: 0.9492524357961427
Energy: 0.8867089781876277
Energy: 0.9035799865246065
Energy: 0.8495174041631366
Energy: 0.9492524357973479
Energy: 0.88670897819044
Energy: 0.9035799865242047
Energy: 0.9181226866665001
Energy: 0.9167081797337151
Energy: 0.940566992887034
Energy: 0.9290282112758204
Energy: 0.9181226866665001
Energy: 0.9167081797337151
Energy: 0.9405669928886412
Energy: 0.8835737675758367
Energy: 0.9183783042204842
Energy: 0.9454355212958762
Energy: 0.9135684800351674
Energy: 0.8835737675730243
Energy: 0.9183783042156628
Energy: 0.9454355212958762
Energy: 0.9414554601546304
Energy: 0.917453074472853
Energy: 0.8728448409199041
Energy: 0.8634616900912344
Energy: 0.9414554601550322
Energy: 0.9174530744720494
Energy: 0.8728448409223148
Energy: 0.921020032770569
Energy: 0.9245440036565694
Energy: 0.9230274531660713
Energy: 0.869152041788563
Energy: 0.921020032770569
Energy: 0.9245440036589802
Energy: 0.9230274531672765
Energy: 0.9146888894815164
Energy: 0.8672105537389904
Energy: 0.9669200188358333
Energy: 0.850900613310049
Energy: 0.914688889480311
Energy: 0.8672105537381868
Energy: 0.9669200188354315
Energy: 0.8554291252344802
Energy: 0.896213134607943
Energy: 0.9395713926105469
Energy: 0.8716413662192793
Energy: 0.8554291252336766
Energy: 0.8962131346067378
Energy: 0.9395713926105469
Energy: 0.9896601218640892
Energy: 0.9459548236053215
Energy: 1.04646316113673
Energy: 0.9222674374280055
Energy: 0.989660121862884
Energy: 0.9459548236049196
Energy: 1.0464631611371322
Energy: 0.9861745696035483
Energy: 0.8786552666161035
Energy: 0.9194549448424784
Energy: 0.9062057440997785
Energy: 0.9861745696035483
Energy: 0.8786552666181123
Energy: 0.9194549448428802
Energy: 0.9229963213391208
Energy: 0.8345930421948388
Energy: 0.8685973172329665
Energy: 0.8929680057193449
Energy: 0.9229963213383172
Energy: 0.8345930421936335
Energy: 0.8685973172337701
Energy: 0.9276233675642854
Energy: 0.9324376661883624
Energy: 0.9315915440328576
Energy: 0.905246331209801
Energy: 0.9276233675626783
Energy: 0.9324376661883624
Energy: 0.9315915440336612
Energy: 0.8997902737498499
Energy: 0.9046704347915933
Energy: 0.9171121334851356
Energy: 0.850513761574639
Energy: 0.8997902737514569
Energy: 0.9046704347927987
Energy: 0.917112133484734
Energy: 1.004386776729754
Energy: 0.9163884845787719
Energy: 0.9422316113203334
Energy: 0.9745898211309026
Energy: 1.004386776729754
Energy: 0.9163884845767631
Energy: 0.9422316113203334
Energy: 0.938171526134326
Energy: 1.0071128863889798
Energy: 0.8823151662054133
Energy: 1.0072779931674847
Energy: 0.938171526135933
Energy: 1.0071128863893817
Energy: 0.8823151662058151
Energy: 0.9862624972327999
Energy: 0.9853399299960307
Energy: 0.979005941909504
Energy: 0.9355318036664352
Energy: 0.9862624972336035
Energy: 0.9853399299976378
Energy: 0.9790059419078968
Energy: 0.870923691643267
Energy: 0.8347932240854651
Energy: 0.8960518935094027
Energy: 0.8401713650840249
Energy: 0.8709236916408564
Energy: 0.8347932240834561
Energy: 0.8960518935102063
Energy: 0.8836692856808859
Energy: 0.8871514132928493
Energy: 0.9100504959611575
Energy: 0.9322256909858408
Energy: 0.8836692856820911
Energy: 0.887151413293251
Energy: 0.910050495960354
Energy: 0.9176418721365125
Energy: 0.8932999092732563
Energy: 0.86595311208637
Energy: 0.8116747226326743
Energy: 0.917641872137316
Energy: 0.8932999092724527
Energy: 0.8659531120867717
Energy: 0.9555151350554772
Energy: 0.936877426253392
Energy: 0.856253218688158
Energy: 0.9612843686943897
Energy: 0.9555151350546737
Energy: 0.9368774262545972
Energy: 0.8562532186873544
Energy: 0.989994025801832
Energy: 0.8855336596656169
Energy: 0.8422899959097274
Energy: 0.8852401089181909
Energy: 0.9899940258010285
Energy: 0.8855336596652152
Energy: 0.8422899959101291
Energy: 0.8557458323600752
Energy: 0.8825197391490118
Energy: 0.9424795806438044
Energy: 0.9132635419839853
Energy: 0.8557458323596733
Energy: 0.8825197391498154
Energy: 0.9424795806430009
Energy: 0.9548386167448268
Energy: 0.8602312049113845
Energy: 0.9085024776226023
Energy: 0.8377170629521615
Energy: 0.9548386167452287
Energy: 0.8602312049117862
Energy: 0.908502477623004
Energy: 0.8864809694950506
Energy: 0.8742819753293152
Energy: 0.9342353705987789
Energy: 0.9252265108222216
Energy: 0.8864809694950506
Energy: 0.8742819753297169
Energy: 0.9342353705987789

minimum gb energy = 0.8116747226326743 eV
minimum distance =  2.31780195046457 Angstroms
sigma value = 39


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

Energy: 0.8817883864886021
Energy: 1.0584805440840805
Energy: 0.9380482572029514
Energy: 1.0587041833582422
Energy: 0.8817883864895505
Energy: 1.0584805440836063
Energy: 0.8911722094156029
Energy: 1.0237712083533694
Energy: 0.8464200590741421
Energy: 0.7360356465285488
Energy: 0.8464750913825998
Energy: 1.0237712083514727
Energy: 0.8464200590731938
Energy: 0.7360356465238072
Energy: 0.8820277669704952
Energy: 0.8424670184515695
Energy: 0.7379421074486865
Energy: 0.8632170362089733
Energy: 0.8820277669766594
Energy: 0.842467018452992
Energy: 0.8467263841831135
Energy: 1.0532007151910465
Energy: 0.8464407632013179
Energy: 0.735892943844598
Energy: 0.7963069238103966
Energy: 1.0532007151844078
Energy: 0.8464407632022662
Energy: 0.7358929438408045
Energy: 0.9702340211576841
Energy: 0.8445060871957618
Energy: 0.8175432932856515
Energy: 1.0479799291113858
Energy: 0.9702340211633742
Energy: 0.8445060871957618
Energy: 0.9386719066055836
Energy: 1.0536248855370591
Energy: 0.724013738839148
Energy: 1.1377607711854063
Energy: 0.786789802339223
Energy: 1.053624885536111
Energy: 0.724013738833932
Energy: 1.1377607711835096
Energy: 1.091413695487007
Energy: 0.8442344206829004
Energy: 1.0106600527347447
Energy: 0.864184127506886
Energy: 1.091413695484162
Energy: 0.8442344206824263
Energy: 1.0036392636042144
Energy: 1.0534494536478838
Energy: 0.8567417730627207
Energy: 1.1885517980221505
Energy: 0.8570351702989343
Energy: 1.0534494536445647
Energy: 0.8567417730641432
Energy: 1.1885517980197795
Energy: 1.0912793936265694
Energy: 0.8645266295654094
Energy: 0.9096517160529998
Energy: 0.8441276455496406
Energy: 1.0912793936284662
Energy: 0.8645266295620901
Energy: 0.931926250987336
Energy: 1.0536952637165078
Energy: 0.7861492406029382
Energy: 1.13809676376348
Energy: 0.7237611108319443
Energy: 1.0536952637127144
Energy: 0.7861492406067317
Energy: 1.1380967637630057
Energy: 0.9734469454201684
Energy: 1.0479660291569026
Energy: 0.7985241823468829
Energy: 0.8447562226856419
Energy: 0.97344694541922
Energy: 1.0479660291569026
Energy: 0.7297259955024885
Energy: 1.0534648188387157
Energy: 0.7882220894163274
Energy: 0.7361170503979532
Energy: 0.8464315366455443
Energy: 1.053464818837293
Energy: 0.7882220894172758
Energy: 0.73611705039985
Energy: 0.8823909401344372
Energy: 0.8631194042019998
Energy: 0.7980811327688999
Energy: 0.8433487638975459
Energy: 0.8823909401316352
Energy: 0.8631194041982065
Energy: 0.7299963102470229
Energy: 1.0237350209569134
Energy: 0.8463470987406854
Energy: 0.7360103177937933
Energy: 0.8464141849415296
Energy: 1.0237350209559652
Energy: 0.846347098742582
Energy: 0.736010317793319
Energy: 0.8817883864886021
Energy: 1.0584805440840805
Energy: 0.8793988590709827
Energy: 1.058704183357768
Energy: 0.8817883864900247
Energy: 1.0584805440836063
Energy: 0.879398859071457
Energy: 1.0237712083533694
Energy: 0.8464200590755647
Energy: 0.7360356465285488
Energy: 0.8464750913830739
Energy: 1.0237712083509984
Energy: 0.8464200590731938
Energy: 0.7360356465238072
Energy: 0.8820277669719176
Energy: 0.8424670184496729
Energy: 0.7254203794269899
Energy: 0.8632170362089733
Energy: 0.8820277669766594
Energy: 0.8424670184553629
Energy: 0.7254203794250933
Energy: 1.0532007151919947
Energy: 0.8464407632022662
Energy: 0.735892943844598
Energy: 0.7963069238084999
Energy: 1.0532007151848821
Energy: 0.8464407632017922
Energy: 0.7358929438412787
Energy: 0.9702340211543647
Energy: 0.8445060871943824
Energy: 0.9386719066084287
Energy: 1.04797992911186
Energy: 0.9702340211557873
Energy: 0.8445060871952876
Energy: 0.8498486421894635
Energy: 1.0536248855375334
Energy: 0.7240137388377256
Energy: 1.1377607711858806
Energy: 0.7867898023396972
Energy: 1.053624885536585
Energy: 0.7240137388348804
Energy: 1.137760771184458
Energy: 1.0914136954879554
Energy: 0.8442344206838488
Energy: 0.872958542454848
Energy: 0.8641841275064117
Energy: 1.0914136954860587
Energy: 0.8442344206829004
Energy: 0.9757061802724241
Energy: 1.0534494536474095
Energy: 0.8567417730617722
Energy: 1.1885517980221505
Energy: 0.8570351702993654
Energy: 1.0534494536440904
Energy: 0.8567417730627207
Energy: 1.1885517980197795
Energy: 1.0912793936260952
Energy: 0.8645266295649351
Energy: 0.8939921295253985
Energy: 0.8441276455510631
Energy: 1.0912793936284662
Energy: 0.8645266295620901
Energy: 0.976203862667598
Energy: 1.0536952637160337
Energy: 0.7861492406024642
Energy: 1.1380967637639543
Energy: 0.723761110830996
Energy: 1.0536952637127144
Energy: 0.7861492406057833
Energy: 1.1380967637630057
Energy: 0.9734469454211166
Energy: 1.0479660291559543
Energy: 0.8616142918208235
Energy: 0.8447562226851678
Energy: 0.9734469454177975
Energy: 1.047966029157377
Energy: 0.8373541791808344
Energy: 1.0534648188387157
Energy: 0.7882220894163274
Energy: 0.7361170503984275
Energy: 0.8464315366460184
Energy: 1.0534648188368188
Energy: 0.7882220894172758
Energy: 0.736117050400324
Energy: 0.8823909401353855
Energy: 0.8631194041996291
Energy: 0.7520683307270598
Energy: 0.8433487638928042
Energy: 0.8823909401306869
Energy: 0.8631194041996291
Energy: 0.7980811327693742
Energy: 1.023735020956439
Energy: 0.846347098742582
Energy: 0.7360103177952159
Energy: 0.8464141849424779
Energy: 1.0237350209545426
Energy: 0.8463470987440044
Energy: 0.7360103177942676
Energy: 0.881788386488128
Energy: 1.0584805440840805
Energy: 0.8681454357301596
Energy: 1.0587041833587163
Energy: 0.8817883864900247
Energy: 1.0584805440836063
Energy: 0.8464360250123881
Energy: 1.0237712083533694
Energy: 0.8464200590774614
Energy: 0.7360356465276005
Energy: 0.8464750913849707
Energy: 1.0237712083509984
Energy: 0.8464200590741421
Energy: 0.7360356465238072

minimum gb energy = 0.723761110830996 eV
minimum distance =  2.27673789876675 Angstroms
sigma value = 21


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

Energy: 0.8842996201356788
Energy: 1.070878930034434
Energy: 0.9391331980357133
Energy: 1.07176064331154
Energy: 0.8842996201368301
Energy: 1.0708789300332826
Energy: 0.9474257849545901
Energy: 0.9138703661977988
Energy: 0.8782618230229966
Energy: 0.9288261372464041
Energy: 0.8784208460036272
Energy: 0.9138703662001012
Energy: 0.8782618230252991
Energy: 0.9288261372452528
Energy: 0.8026135090584718
Energy: 0.9131419599560557
Energy: 0.7563529331684683
Energy: 0.8365507423810801
Energy: 0.8026135090590475
Energy: 0.9131419599549045
Energy: 0.7767347932109394
Energy: 1.047671653098852
Energy: 0.8779950833979338
Energy: 0.8761715733486504
Energy: 0.8273522402671342
Energy: 1.0476716530994277
Energy: 0.8779950833962068
Energy: 0.8761715733486504
Energy: 0.8296253736285546
Energy: 0.8216438156331028
Energy: 0.8449937932788175
Energy: 0.8940982900091303
Energy: 0.8296253736291302
Energy: 0.8216438156313759
Energy: 0.8449937932788175
Energy: 1.0510474884350551
Energy: 0.8646649801326914
Energy: 0.9079698325314675
Energy: 0.8728668346945274
Energy: 1.0510474884344796
Energy: 0.8646649801326914
Energy: 0.9079698325326186
Energy: 0.9133366934130716
Energy: 0.8217131081023648
Energy: 0.8873553631492987
Energy: 0.8549047863080764
Energy: 0.9133366934142229
Energy: 0.8217131081040916
Energy: 0.8873553631498744
Energy: 0.86206483483887
Energy: 0.9450083479885345
Energy: 0.950519169941452
Energy: 0.873278066014444
Energy: 0.862064834837143
Energy: 0.945008347990837
Energy: 0.950519169941452
Energy: 0.8848524603968858
Energy: 0.8714354280852942
Energy: 0.9448230843355632
Energy: 0.9303525833773896
Energy: 0.8848524603968858
Energy: 0.871435428088748
Energy: 0.9704101396988062
Energy: 0.9360074143123388
Energy: 0.865023251351302
Energy: 0.8476304161036016
Energy: 0.8731195683105667
Energy: 0.9360074143129146
Energy: 0.8650232513501507
Energy: 0.8476304161059041
Energy: 0.8834656070499614
Energy: 0.7769909345987852
Energy: 0.9078832392950342
Energy: 0.7780695053809549
Energy: 0.883465607050537
Energy: 0.7769909345976339
Energy: 0.9078832392956099
Energy: 0.822176982956155
Energy: 0.8904484196329976
Energy: 0.7774845715849934
Energy: 0.7986895384470285
Energy: 0.8221769829550039
Energy: 0.8904484196353003
Energy: 0.7774845715844177
Energy: 0.90772012160903
Energy: 0.7772243628522045
Energy: 0.8572176809220882
Energy: 0.7129630107718335
Energy: 0.90772012160903
Energy: 0.7772243628504775
Energy: 1.0091280998549434
Energy: 0.8336310882688669
Energy: 0.8901707798698284
Energy: 0.8687598565885121
Energy: 0.8616169672307538
Energy: 0.8336310882705938
Energy: 0.8901707798675259
Energy: 0.8687598565885121
Energy: 1.0031584027132177
Energy: 0.8080113694576575
Energy: 0.9315506466860484
Energy: 0.7203342393336482
Energy: 1.0031584027132177
Energy: 0.8080113694593845
Energy: 0.9359060931242075
Energy: 0.8350083290437975
Energy: 0.90788908462667
Energy: 0.8544039311393986
Energy: 0.9275091591927485
Energy: 0.8350083290426462
Energy: 0.90788908462667
Energy: 0.8544039311376718
Energy: 0.9348481539697414
Energy: 0.8119199740561169
Energy: 0.8598459366304989
Energy: 0.8788964915612161
Energy: 0.9348481539708927
Energy: 0.8119199740549657
Energy: 0.8598459366328013
Energy: 0.8420295561115427
Energy: 0.928647140974885
Energy: 0.8159758465098801
Energy: 0.8490553573913056
Energy: 0.8420295561121183
Energy: 0.928647140974885
Energy: 0.8159758465104556
Energy: 0.8867676990189637
Energy: 0.7991414172924836
Energy: 0.8967449809518687
Energy: 0.8806954027458452
Energy: 0.8867676990189637
Energy: 0.7991414172907567
Energy: 0.8967449809512931
Energy: 0.8408910801565067
Energy: 0.8214559367099924
Energy: 0.7822947748679946
Energy: 0.8215571560049729
Energy: 0.8408910801570822
Energy: 0.8214559367094167
Energy: 0.7822947748685702
Energy: 0.8867905338537698
Energy: 0.8807035779703856
Energy: 0.8965833476186758
Energy: 0.7990899231231896
Energy: 0.8867905338543454
Energy: 0.8807035779698099
Energy: 0.8965833476192513
Energy: 0.8337706076348615
Energy: 0.8491927432625964
Energy: 0.815816652544804
Energy: 0.9286901399398217
Energy: 0.8337706076337104
Energy: 0.849192743260294
Energy: 0.8158166525436789
Energy: 0.9348719749236024
Energy: 0.8788937745066939
Energy: 0.8546486923276132
Energy: 0.8117590924162257
Energy: 0.9348719749230269
Energy: 0.8788937745061184
Energy: 0.8546486923270376
Energy: 0.8349221389896934
Energy: 0.9276361721745053
Energy: 0.8544162839298749
Energy: 0.9079552620351152
Energy: 0.8349221389919959
Energy: 0.9276361721756565
Energy: 0.854416283928148
Energy: 1.0036758427265873
Energy: 0.71901744500257
Energy: 0.9211825946704562
Energy: 0.8079630972438713
Energy: 1.0036758427271628
Energy: 0.71901744500257
Energy: 0.9211825946698805

minimum gb energy = 0.7129630107718335 eV
minimum distance =  2.30452504461207 Angstroms
sigma value = 113


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

Energy: 0.833813224774148
Energy: 0.9946942868912912
Energy: 0.6947552306581144
Energy: 0.9364944211708163
Energy: 0.8338132247709354
Energy: 0.9946942868945037
Energy: 0.8161339396051739
Energy: 0.9353607251635142
Energy: 0.8746361693759478
Energy: 1.0559746812295594
Energy: 0.8441728344006346
Energy: 0.9353607251667269
Energy: 0.8746361693759478
Energy: 1.0559746812263466
Energy: 0.8339658657413794
Energy: -0.8055224550412439
Energy: 0.8808751803931388
Energy: 0.8633726078448244
Energy: 0.8339658657381669
Energy: -0.8039442046036916
Energy: 0.9430860934713211
Energy: 0.7861579749098662
Energy: 0.8711250879742071
Energy: 0.7932403734009558
Energy: 0.8483394142345115
Energy: 0.7861579749066535
Energy: 0.8711250879838449
Energy: 0.7932403748524028
Energy: 0.8220182294247059
Energy: 0.8258848287218812
Energy: 0.7419603705829886
Energy: 0.8259624556759338
Energy: 0.822018229431131
Energy: 0.8258848287250352
Energy: 0.8660510600868557
Energy: 0.7863641186722455
Energy: 0.7977138400340174
Energy: 1.0188476269314606
Energy: 0.7943860419372464
Energy: 0.7863641186850959
Energy: 0.7977138400308046
Energy: 1.0188476269314606
Energy: 0.8270107469511532
Energy: 0.8258886482277413
Energy: 0.8361756833154064
Energy: 0.7829713561895263
Energy: 0.8270107469511532
Energy: 0.8258886482245289
Energy: 0.8514102890333606
Energy: 0.7816086239752286
Energy: 0.7900345527563605
Energy: 1.041610117638901
Energy: 0.7806697099103782
Energy: 0.7816086239752286
Energy: 0.7900345527627857
Energy: 1.0416101176421135
Energy: 0.8268604651212237
Energy: 0.8416587097209384
Energy: 0.828711468867776
Energy: 0.7840658474775077
Energy: 0.8268604651244363
Energy: 0.841658709724151
Energy: 0.7047138000657501
Energy: 0.7842623492090356
Energy: 0.7923964407825238
Energy: 0.7961909246741671
Energy: 0.7994079645218323
Energy: 0.7842623492058229
Energy: 0.7923964407857365
Energy: 0.7961909246773796
Energy: 0.825111460584536
Energy: 0.8417052924420483
Energy: 0.7922540471888402
Energy: 0.7848850829474883
Energy: 0.8251114605877486
Energy: 0.8417052924388357
Energy: 0.8482352831397587
Energy: 0.7842398947511151
Energy: 0.7810411315573356
Energy: 0.8553811040092675
Energy: 0.782713856703664
Energy: 0.7842398947479027
Energy: 0.7810411315541229
Energy: 0.8553811040060548
Energy: 0.8242079148062564
Energy: 0.8560566462578216
Energy: 0.7848071314961195
Energy: 0.7780212848487593
Energy: 0.8242079148030439
Energy: 0.8560566462610342
Energy: 0.784807131499332
Energy: 0.7553748747944181
Energy: 0.8041477361224453
Energy: 1.008008614693488
Energy: 0.7936427493375805
Energy: 0.7553748747944181
Energy: 0.8041477361192327
Energy: 1.0080086146902756
Energy: 0.8249019295288631
Energy: 0.8669890809725143
Energy: 0.816509253566144
Energy: 0.805854623835035
Energy: 0.8249019295288631
Energy: 0.8669890809757267
Energy: 0.8180380719430043
Energy: 0.7554552971991197
Energy: 0.780555812285273
Energy: 0.733001890956866
Energy: 0.784954617352274
Energy: 0.7554552972055447
Energy: 0.7805558122916982
Energy: 0.7330018909632912
Energy: 0.7797246842683392
Energy: 0.8562036524947181
Energy: 0.8251499939934823
Energy: 0.8373697999870079
Energy: 0.7797246841784452
Energy: 0.8562036524947181
Energy: 0.8295647741984428
Energy: 0.7844206568318349
Energy: 0.7803469313259747
Energy: 0.7303956500574542
Energy: 0.762096933490193
Energy: 0.7844206568286222
Energy: 0.7803469313259747
Energy: 0.7303956500638794
Energy: 0.8099413824481834
Energy: 0.8001879933341925
Energy: 0.9073040778693494
Energy: 0.8623622043918316
Energy: 0.8099413824738256
Energy: 0.8001879933374051
Energy: 0.9073040778725621
Energy: 0.8266681303073818
Energy: 0.7656239517582232
Energy: 0.6845415555576753
Energy: 0.7764061403507194
Energy: 0.8266681303041692
Energy: 0.7656239517614356
Energy: 0.6845415555673131
Energy: 0.7885405814828835
Energy: 0.7894204898560303
Energy: 0.9181713827711645
Energy: 0.816716882506784
Energy: 0.7885405814828835
Energy: 0.7894204898528178
Energy: 0.9481585402037802
Energy: 0.826956951714645
Energy: 0.7840992623963616
Energy: 0.7452889843325599
Energy: 0.7848797441747195
Energy: 0.8269569517178578
Energy: 0.784099262393149
Energy: 0.7452889843357725
Energy: 0.7844855537714391
Energy: 0.7866553704370688
Energy: 0.8450313602554466
Energy: 0.9344448149504944
Energy: 0.7844855537778643
Energy: 0.7866553704370688
Energy: 0.8450313602554466
Energy: 0.7923255690300142
Energy: 0.8423111858431162
Energy: 0.7152205799946263
Energy: 0.7900180570385373
Energy: 0.7923255690300142
Energy: 0.8423111858495415
Energy: 0.7152205800010515
Energy: 0.7886561677612525
Energy: 0.832711457423921
Energy: 0.8727551481625624
Energy: 1.0130596589183096
Energy: 0.788656167764465
Energy: 0.8327114574303462
Energy: 0.8727551481593497
Energy: 0.8383153428785092
Energy: 0.7590921148643595
Energy: 0.8046813113934385
Energy: 0.735674895841552
Energy: 0.8383153428817216
Energy: 0.7590921148675721
Energy: 0.8046813113902258
Energy: 0.8917265919803095
Energy: 0.8323911203269989
Energy: 0.8069398796146635
Energy: 0.7833709961909026
Energy: 0.8917265919835221
Energy: 0.8323911203205737
Energy: 0.806939879650002
Energy: 0.8693245166645117
Energy: 0.8474999681150637
Energy: 0.8416760522645237
Energy: 0.7886321691815699
Energy: 0.8693245166645117
Energy: 0.8474999681247014
Energy: 0.8416760522645237
Energy: -0.4380221460843917
Energy: 0.8080550000519543
Energy: 0.8696146460759595
Energy: 0.8768851080971061
Energy: -0.4380221459783763
Energy: 0.8080550000583795
Energy: 0.869614646079172
Energy: 0.86946833364374
Energy: 0.859086603573034
Energy: 0.8144941829468634
Energy: 0.7219870297687595
Energy: 0.86946833364374
Energy: 0.8590866035890968
Energy: 0.8144941829532887
Energy: 0.7886855782105215
Energy: 0.8494080224926855
Energy: 0.9392123648442582
Energy: 0.7249743967746717
Energy: 0.7886855782105215
Energy: 0.8494080224926855
Energy: 0.9392123648474707
Energy: 0.8698788130921477
Energy: 0.8440931041640597
Energy: 0.7574823405743725
Energy: 0.7842843469567752
Energy: 0.8698788130953604
Energy: 0.8440931041609053
Energy: 0.7574823405711599
Energy: 0.7758597741466192
Energy: 0.7691703461282337
Energy: 0.8665709330141749
Energy: 0.8729409830090276
Energy: 0.7758597741434068
Energy: 0.7691703461282337
Energy: 0.8665709330109624
Energy: 0.9083281369912689
Energy: 0.782083636126803
Energy: 0.8171271153770209
Energy: 0.8423678570661584
Energy: 0.9083281369880565
Energy: 0.782083636126803
Energy: 0.8171271153802336
Energy: 0.9607151933938702
Energy: 0.7644467746232718
Energy: 1.00191465870305
Energy: -0.5045875930898363
Energy: 0.9607151933970828
Energy: 0.7644467746264844
Energy: 1.00191465870305
Energy: 0.9084009240545433
Energy: 0.8395281409056587
Energy: 0.8162863898506729
Energy: 0.8413832516434605
Energy: 0.9084009240577559
Energy: 0.8395281408960211
Energy: 0.8162863898538857
Energy: 0.9596900959120223
Energy: 0.8615070352264468
Energy: 0.9035226939102577
Energy: 0.8373216735208264
Energy: 0.9596900959152349
Energy: 0.8615070352232344
Energy: 0.9035226939166828
Energy: 0.8078591422107831
Energy: 0.8400211987194871
Energy: 0.7775208027475262
Energy: 0.8423231862120948
Energy: 0.8078591422075707
Energy: 0.8400211987226996
Energy: 0.7775208027475262
Energy: 0.9590515462609023
Energy: 0.9059604139639439
Energy: 0.8110322068707855
Energy: 0.9035418483479158
Energy: 0.9590515462641148
Energy: 0.9059604139639439
Energy: 0.8110322068772107
Energy: 0.807634441097326
Energy: 0.8177852261592656
Energy: 0.7177630486612924
Energy: 0.8547901444962454
Energy: 0.8076344411005387
Energy: 0.817785226156053
Energy: 0.717763048664505
Energy: 0.8395553220838415
Energy: 0.8448227700609465
Energy: 0.8505620555122563
Energy: 0.9011113397463199
Energy: 0.8395553220838415
Energy: 0.8448227700673718
Energy: 0.8505620555154689
Energy: 0.8079694411134005
Energy: 0.8741714999378178
Energy: 0.9688707286292331
Energy: 0.7819845275689923
Energy: 0.8079694411166131
Energy: 0.8741714999378178
Energy: 0.9688707286292331
Energy: 0.7525781396681985
Energy: 0.8446899161911088
Energy: 0.7134846079197302
Energy: 0.9013329063106609
Energy: 0.7525781396714111
Energy: 0.8446899162842153
Energy: 0.7134846079165175
Energy: 0.8039456712867947
Energy: 0.8566430149721151
Energy: 0.9172846091779158
Energy: 0.8392142520601156
Energy: 0.8039456712900074
Energy: 0.8566430149785405
Energy: 0.9172846091843407
Energy: 0.7836706232698061
Energy: 0.845401094181024
Energy: 0.8346305438251965
Energy: 0.8959016721516532
Energy: 0.7836706232665935
Energy: 0.845401094181024
Energy: 0.8346305438830229

minimum gb energy = -0.8055224550412439 eV
minimum distance =  2.21500296158646 Angstroms
sigma value = 365


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

Energy: 0.7790721793618902
Energy: 0.2999069324446572
Energy: 0.167689742495071
Energy: 0.2999069324446572
Energy: 0.779072179365512
Energy: 0.2999069324446572
Energy: 0.7621685067168191
Energy: 0.7790721793611659
Energy: 0.2999069324446572
Energy: 0.21387030974003637
Energy: 0.29990693244320854
Energy: 0.7790721793611659
Energy: 0.2999069324453815
Energy: 0.6622736516344353
Energy: 0.7790721793618902
Energy: 0.29990693244610583
Energy: 0.8707687373359038
Energy: 0.29990693244610583
Energy: 0.7790721793618902
Energy: 0.29990693244320854
Energy: 0.22361194404958412
Energy: 0.7790721793611659
Energy: 0.29990693244393285
Energy: 0.7924992699270362
Energy: 0.2999069324453815
Energy: 0.7790721793647876
Energy: 0.2999069324453815
Energy: 0.7881198419230616
Energy: 0.7790721793618902
Energy: 0.2999069324446572
Energy: 0.8113081736303575
Energy: 0.29990693244320854
Energy: 0.7790721793618902
Energy: 0.2999069324453815
Energy: 0.7578615611071124
Energy: 0.7790721793618902
Energy: 0.2999069324453815
Energy: 0.8309787390760254
Energy: 0.2999069324453815
Energy: 0.7790721793611659
Energy: 0.29990693244320854
Energy: 0.7431306204958777
Energy: 0.7790721793626146
Energy: 0.29990693244393285
Energy: 0.5603280066772431
Energy: 0.2999069324446572
Energy: 0.7790721793662361
Energy: 0.2999069324446572
Energy: 0.5603200702457884
Energy: 0.7790721793611659
Energy: 0.2999069324453815
Energy: 0.8474041586345707
Energy: 0.2999069324424843
Energy: 0.7790721793611659
Energy: 0.2999069324446572
Energy: 0.6615088299026352
Energy: 0.7790721793618902
Energy: 0.2999069324453815
Energy: 0.7192855757427502
Energy: 0.2999069324453815
Energy: 0.7790721793618902
Energy: 0.29990693244393285
Energy: 0.6817093255555082
Energy: 0.7790721793611659
Energy: 0.29990693244393285
Energy: 0.6567012245126702
Energy: 0.2999069324453815
Energy: 0.779072179365512
Energy: 0.2999069324453815
Energy: 0.6566855975037476
Energy: 0.7790721793618902
Energy: 0.2999069324446572
Energy: 0.6616777858820503
Energy: 0.2999069324424843
Energy: 0.7790721793618902
Energy: 0.2999069324453815
Energy: 0.6616801316280984
Energy: 0.7790721793618902
Energy: 0.2999069324453815
Energy: 0.3918007440403288
Energy: 0.2999069324446572
Energy: 0.7790721793611659
Energy: 0.29990693244320854
Energy: 0.3918310559180779
Energy: 0.7790721793618902
Energy: 0.29990693244393285
Energy: 0.3918233635038383
Energy: 0.2999069324446572
Energy: 0.7790721793662361
Energy: 0.2999069324446572
Energy: 0.3918151261787939
Energy: 0.7790721793611659
Energy: 0.2999069324453815
Energy: 0.391764043389198
Energy: 0.29990693244320854
Energy: 0.7790721793611659
Energy: 0.2999069324453815
Energy: 0.39187896465260386
Energy: 0.7790721793618902
Energy: 0.2999069324453815
Energy: 0.3916868289653597
Energy: 0.2999069324453815
Energy: 0.7790721793618902
Energy: 0.2999069324446572
Energy: 0.3921111988839964
Energy: 0.7790721793618902
Energy: 0.29990693244393285
Energy: 0.3918142926490202
Energy: 0.2999069324446572
Energy: 0.7790721793647876
Energy: 0.2999069324453815
Energy: 0.3919150603801595
Energy: 0.7790721793618902
Energy: 0.2999069324446572
Energy: 0.3918245284863733
Energy: 0.29990693244320854
Energy: 0.7790721793611659
Energy: 0.29990693244610583
Energy: 0.3920240274974916
Energy: 0.7790721793618902
Energy: 0.29990693244610583
Energy: 0.3916803052991536
Energy: 0.2999069324453815
Energy: 0.7790721793611659
Energy: 0.29990693244393285
Energy: 0.39182198567721793
Energy: 0.7790721793618902
Energy: 0.2999069324446572
Energy: 0.3916893286272248
Energy: 0.2999069324453815
Energy: 0.779072179365512
Energy: 0.2999069324446572
Energy: 0.39181735323645844
Energy: 0.7790721793611659
Energy: 0.2999069324453815
Energy: 0.39176979155251834
Energy: 0.29990693244320854
Energy: 0.7790721793611659
Energy: 0.29990693244610583
Energy: 0.3916794755377756

minimum gb energy = 0.167689742495071 eV
minimum distance =  2.42101646078294 Angstroms
sigma value = 23