Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8510001525282864
cohesive_energy=4.2903370704706045
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7044595903145597e-19, 2.3866343575390797e-19, 3.3934902196437003e-19, 3.9069557873080197e-19, 4.3337115555402594e-19, 4.69865534923278e-19, 5.014460385560519e-19, 5.289810461879759e-19, 5.531002132362119e-19, 5.74282590514326e-19, 5.92895076471504e-19, 6.092340737850359e-19, 6.23541511126656e-19, 6.3601285404571195e-19, 6.46817933265408e-19, 6.560977403295359e-19, 6.63975642838914e-19, 6.705557822747519e-19, 6.759342892350899e-19, 6.8018967037499395e-19, 6.833956258196279e-19, 6.856178448109859e-19, 6.86912403531258e-19, 6.87333775986e-19, 6.86881962175212e-19, 6.8544320755788e-19, 6.8285248794070195e-19, 6.788854985949179e-19, 6.73285891259088e-19, 6.657588654325559e-19, 6.5595995313901195e-19, 6.434693841003479e-19, 6.277824726768539e-19, 6.082855852177079e-19, 5.842160856451259e-19, 5.54636700628218e-19, 5.183794434007979e-19, 4.739815266960239e-19, 4.1958442561845597e-19, 3.52813714396506e-19, 2.7059481606952796e-19, 1.6890146075628e-19, 4.2371163262763994e-20, -1.162414395852948e-19, -3.17106003754548e-19, -5.75384888038518e-19, -9.14871697193412e-19, -1.37499599818197e-18, -2.0254717007027998e-18, -3.0000437036323195e-18, -4.5841477852008e-18, -7.462329934051079e-18, -1.3498482337347059e-17, -2.85136171199712e-17]
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: 0.013302402856800821
Energy: 0.013801045124344309
Energy: 1.972723387513692
Energy: 1.1010363272290564
Energy: 0.013801045124344309
Energy: 0.21491514547775323
Energy: 1.0999163535120626
Energy: 0.21491514547775323
Energy: 1.9727233874900223
Energy: 1.099916353511082
Energy: 1.4247454963189363
Energy: 1.099916353511082
Energy: 1.101036327228076
Energy: 0.21491514547775323
Energy: 1.099916353511082
Energy: 0.21491514547775323

minimum gb energy = 0.013302402856800821 eV
minimum distance =  2.427857592348 Angstroms
sigma value = 1


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

Energy: 2.0942902339116887
Energy: 0.9216826274081525
Energy: 1.1333779486226458
Energy: 1.109464769025388
Energy: 1.8441901790751476
Energy: 0.8691645550214746
Energy: 0.8688292249740127
Energy: 0.8691645550214746
Energy: 1.834416954114537
Energy: 0.8693775768765343
Energy: 0.8698501554237452
Energy: 0.8693775768753114
Energy: 1.844454456322264
Energy: 0.8691757714486834
Energy: 0.8693066052686242
Energy: 0.8691757714486834
Energy: 1.5100670381301873
Energy: 0.8760672510465323
Energy: 1.1788366984367082
Energy: 0.8760672510453092
Energy: 1.8447848460041583
Energy: 0.8688755634629037
Energy: 1.1372882398492072
Energy: 0.8688755634629037
Energy: 1.6409358200235855
Energy: 0.8686987554849369
Energy: 1.1413807926625776
Energy: 0.8686987554837139
Energy: 1.515126744779785
Energy: 0.8686294566824813
Energy: 1.1410477808519737
Energy: 0.8686294566837043
Energy: 1.3178859713131748
Energy: 0.9327770298884319
Energy: 1.4697055069510612
Energy: 0.9327770298884319
Energy: 1.5135891548802738
Energy: 0.9331384854014787
Energy: 1.51249877735013
Energy: 0.9331384854002557
Energy: 1.4669682186923514
Energy: 0.9353136031031359
Energy: 1.4154691521587646
Energy: 0.9353136031031359
Energy: 1.1416826581304105
Energy: 0.8682966073241236
Energy: 1.5119459270799052
Energy: 0.8682966073253465
Energy: 1.141217991703551
Energy: 0.8687076175739489
Energy: 1.5121497029241175
Energy: 0.8687076175739489
Energy: 1.1277004608552794
Energy: 0.869140695784974
Energy: 1.8449196860137573
Energy: 0.869140695784974
Energy: 1.1449785519951239
Energy: 0.8756002888024506
Energy: 1.6041660953274601
Energy: 0.8756002888024506
Energy: 0.8694752092290875
Energy: 0.869280552267271
Energy: 1.8358883731645288
Energy: 0.869280552267271
Energy: 0.8694751945511471
Energy: 0.8693098863942567
Energy: 1.8399314148397794
Energy: 0.8693098863942567
Energy: 0.8685100055511658
Energy: 0.8689475611808488
Energy: 1.8443972969277842
Energy: 0.8689475611808488
Energy: 0.8691827482464611
Energy: 0.869211651733327
Energy: 1.718006924708653
Energy: 0.8692116517345501
Energy: 0.9519315219746299
Energy: 0.8690657555324293
Energy: 1.8366841220219023
Energy: 0.8690657555324293
Energy: 0.9666547377339219
Energy: 0.8687373366495258
Energy: 1.8424065842605766
Energy: 0.8687373366507487
Energy: 0.9666196028585258
Energy: 0.8684923133352149
Energy: 1.7218571587003153
Energy: 0.8684923133352149
Energy: 0.9732263798921262
Energy: 0.8690111501457665
Energy: 1.5104211419870353
Energy: 0.8690111501445434
Energy: 1.3206380063365708
Energy: 0.8688502828282278
Energy: 1.7228823764610353
Energy: 0.8688502828282278
Energy: 1.3207395672375215
Energy: 0.8687841607153162
Energy: 1.7223091061056865
Energy: 0.8687841607153162
Energy: 1.3198853323087025
Energy: 0.9356399158132523
Energy: 1.3217149909086987
Energy: 0.9356399158156983
Energy: 1.3193946111653567
Energy: 0.868718890274054
Energy: 1.3201973718816387
Energy: 0.8687188902752772
Energy: 1.722429951466281
Energy: 0.8691034796355946
Energy: 1.319153335187471
Energy: 0.8691034796380407
Energy: 1.6052493889931416
Energy: 0.8689897500637345
Energy: 1.3277844982374094
Energy: 0.8689897500637345
Energy: 1.6042369044624998
Energy: 0.8687752220191374
Energy: 0.9666421230433448
Energy: 0.8687752220179144
Energy: 1.7229804159888054
Energy: 0.86887827798664
Energy: 0.9939123650599859
Energy: 0.86887827798664
Energy: 1.8425053392757467
Energy: 0.8698220526178946
Energy: 0.9543485070791032
Energy: 0.8698220526178946
Energy: 1.8316721151604047
Energy: 0.8690397629151098
Energy: 0.9520937511327175
Energy: 0.8690397629163327

minimum gb energy = 0.8682966073241236 eV
minimum distance =  2.32901405040753 Angstroms
sigma value = 1


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

Energy: 2.361356744481395
Energy: 1.0755358914704458
Energy: 0.9031700558145027
Energy: 0.9023333409856924
Energy: 1.7427013168191812
Energy: 0.9028758322927943
Energy: 0.9028674487363902
Energy: 0.9028758322927943
Energy: 1.7597317947929956
Energy: 0.9022303627828259
Energy: 0.9016640530271331
Energy: 0.9022303627828259
Energy: 1.7609384949671703
Energy: 0.902347704505085
Energy: 0.9031148002138877
Energy: 0.9023477045036905
Energy: 1.5202781373915124
Energy: 0.902847578655487
Energy: 1.0966052787005613
Energy: 0.902847578655487
Energy: 1.761015613776441
Energy: 0.902270973330931
Energy: 1.0956999931310016
Energy: 0.902270973330931
Energy: 1.760707558280759
Energy: 0.9026318876732693
Energy: 1.1119241183739899
Energy: 0.9026318876732693
Energy: 1.5237035605681324
Energy: 0.9045991578045006
Energy: 1.1106130836608505
Energy: 0.9045991578045006
Energy: 1.5226767327973052
Energy: 0.9822753526128253
Energy: 1.3611070004534167
Energy: 0.9822753526142197
Energy: 1.5226660725646142
Energy: 0.9819644249504412
Energy: 1.522078814007024
Energy: 0.9819644249504412
Energy: 1.5224427874698425
Energy: 0.9813792156630083
Energy: 1.2915747824918902
Energy: 0.9813792156616139
Energy: 1.1114245445967925
Energy: 0.904431517335099
Energy: 1.2931112078615663
Energy: 0.904431517335099
Energy: 1.1116998780562906
Energy: 0.9026631137614898
Energy: 1.5228920752824509
Energy: 0.9026631137614898
Energy: 1.096789866500248
Energy: 0.9026347819902932
Energy: 1.761437792219164
Energy: 0.9026347819902932
Energy: 1.0967664333674674
Energy: 0.9027845144385988
Energy: 1.742921004553616
Energy: 0.9027845144385988
Energy: 0.9022724384911333
Energy: 0.9023289229728186
Energy: 1.7428749322394743
Energy: 0.9023289229728186
Energy: 0.9021127318657263
Energy: 0.9022423871430516
Energy: 1.7607405568044976
Energy: 0.9022423871430516
Energy: 0.9019761166247838
Energy: 0.9030574438197069
Energy: 1.7618757674428402
Energy: 0.9030574438197069
Energy: 0.902469368389608
Energy: 0.9028818814581677
Energy: 1.5207236683786247
Energy: 0.9028818814581677
Energy: 1.0961226347836779
Energy: 0.9021561231734128
Energy: 1.7606773193307776
Energy: 0.9021561231734128
Energy: 1.1109817017774826
Energy: 0.9021171066734027
Energy: 1.7598304671647373
Energy: 0.9021171066734027
Energy: 1.1109996013423513
Energy: 0.9033890419078137
Energy: 1.5221415053533636
Energy: 0.9033890419078137
Energy: 1.110649032949333
Energy: 0.9820724685840713
Energy: 1.5226636240168867
Energy: 0.9820724685840713
Energy: 1.5230773766472623
Energy: 0.9819994055908668
Energy: 1.522538002211513
Energy: 0.9819994055922613
Energy: 1.2916925061834383
Energy: 0.9830640962070231
Energy: 1.524643285778571
Energy: 0.9830640962084175
Energy: 1.2915475755445602
Energy: 1.0719597866345223
Energy: 1.0976391166941792
Energy: 1.0719597866345223
Energy: 1.5231442904027082
Energy: 0.902221582229146
Energy: 1.111010132836321
Energy: 0.902221582229146
Energy: 1.7606614801335534
Energy: 0.9020671317488188
Energy: 1.0987701796201776
Energy: 0.9020671317488188
Energy: 1.742987837448885
Energy: 0.9027272704422393
Energy: 1.096764104245075
Energy: 0.9027272704422393

minimum gb energy = 0.9016640530271331 eV
minimum distance =  2.33619604247207 Angstroms
sigma value = 25


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

Energy: 2.218858220042151
Energy: 1.0784542085254007
Energy: 0.9642994456290547
Energy: 1.053053202697688
Energy: 1.6442726853554848
Energy: 0.9642020085637633
Energy: 0.9638913395777866
Energy: 0.9642020085621421
Energy: 1.657133924944494
Energy: 0.9634007306012714
Energy: 0.9631153488221856
Energy: 0.9634007306012714
Energy: 1.6568066426960306
Energy: 0.9636647956207489
Energy: 0.963686366181858
Energy: 0.9636647956207489
Energy: 1.5334484591573392
Energy: 0.9889476017347415
Energy: 1.2694865474717776
Energy: 0.9889476017347415
Energy: 1.6567257428509707
Energy: 0.9637073612752078
Energy: 1.2874337621729475
Energy: 0.9637073612752078
Energy: 1.6568512329651928
Energy: 1.0486514829952454
Energy: 1.3200769510667303
Energy: 1.0486514829952454
Energy: 1.3202391113176333
Energy: 1.0482475204857542
Energy: 1.3165155569815645
Energy: 1.0482475204857542
Energy: 1.3166978050002653
Energy: 1.0482332561777108
Energy: 1.4510379555586554
Energy: 1.0482332561777108
Energy: 1.288321339384628
Energy: 0.9812462536829957
Energy: 1.656720912342872
Energy: 0.9812462536829957
Energy: 1.2989415909989368
Energy: 0.9886585007919697
Energy: 1.653429956210703
Energy: 0.9886585007903488
Energy: 0.963539337738438
Energy: 0.9637531040450967
Energy: 1.6526573273812069
Energy: 0.9637531040450967
Energy: 0.9625384394088525
Energy: 0.9631822827196473
Energy: 1.656255814576451
Energy: 0.9631822827180264
Energy: 0.9637193881273326
Energy: 1.0053643156616225
Energy: 1.6564870856217164
Energy: 1.0053643156616225
Energy: 0.9627722803462258
Energy: 0.9647987157563911
Energy: 1.5322283305071447
Energy: 0.9647987157563911
Energy: 1.078313281553301
Energy: 0.9638380060784495
Energy: 1.6542218115497531
Energy: 0.9638380060784495
Energy: 1.0962751168846814
Energy: 0.9631323301828866
Energy: 1.659848357286227
Energy: 0.9631323301828866
Energy: 1.0967224989394655
Energy: 0.9636897025158615
Energy: 1.5311390844589294
Energy: 0.9636897025158615
Energy: 1.1233202335919117
Energy: 0.9632228863275206
Energy: 1.3179450892684375
Energy: 0.9632228863275206
Energy: 1.5313300698003125
Energy: 1.0522852258700657
Energy: 1.53167753384052
Energy: 1.0522852258700657
Energy: 1.4124652778084745
Energy: 1.052077544645654
Energy: 1.5315613590136075
Energy: 1.052077544645654
Energy: 1.4120946297945582
Energy: 0.9633078759783202
Energy: 1.096898714280133
Energy: 0.9633078759783202
Energy: 1.5319024733920312
Energy: 0.9633871973566612
Energy: 1.0969451932172714
Energy: 0.9633871973566612
Energy: 1.6590420609572905
Energy: 0.9631692630325036
Energy: 1.092091764507571
Energy: 0.9631692630325036
Energy: 1.6510510652463393
Energy: 0.9638233891878496
Energy: 1.0664022419040058
Energy: 0.9638233891878496

minimum gb energy = 0.9625384394088525 eV
minimum distance =  2.3212172239735 Angstroms
sigma value = 9


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

Energy: 1.9610514844081728
Energy: 1.1687634794195998
Energy: 0.9954233858390105
Energy: 0.9952760524445091
Energy: 1.5000573312385912
Energy: 0.9965754969860211
Energy: 0.9959963558498816
Energy: 0.996575496986219
Energy: 1.5333304072913614
Energy: 0.9953013478603852
Energy: 0.9918531915823462
Energy: 0.9953013478605829
Energy: 1.5334446822102321
Energy: 0.995238243160893
Energy: 0.9945100010131859
Energy: 0.9952382431607173
Energy: 1.2737034126863715
Energy: 0.9963636827469159
Energy: 1.246338929317175
Energy: 0.9963636827469159
Energy: 1.533482316951458
Energy: 1.0608023148979295
Energy: 1.2459020981846103
Energy: 1.060802314895029
Energy: 1.5340646773458624
Energy: 0.9950772775505743
Energy: 0.9785156352101493
Energy: 0.995077277550003
Energy: 1.3270056534425272
Energy: 1.1089645026212103
Energy: 1.2802428833667718
Energy: 1.108964502621606
Energy: 1.2806332888538579
Energy: 1.1099484838570524
Energy: 1.5335954551851598
Energy: 1.1099484838568545
Energy: 1.3281010010290042
Energy: 0.994821933158824
Energy: 1.533861035000392
Energy: 0.9948219331589997
Energy: 1.2464375640660572
Energy: 0.9960043854472053
Energy: 1.4990294927945407
Energy: 0.9960043854476008
Energy: 0.991725362627744
Energy: 0.9951559749656395
Energy: 1.4996715889661776
Energy: 0.9951559749654417
Energy: 0.9953918675078809
Energy: 0.9953377292806053
Energy: 1.5310783850186442
Energy: 0.995337729280803
Energy: 0.995541804166277
Energy: 1.0637804005884113
Energy: 1.5333565323536966
Energy: 1.0637804005884113
Energy: 0.9958310692161215
Energy: 0.9967001540570951
Energy: 1.2736826572680995
Energy: 0.9967001540570951
Energy: 1.2458641683515108
Energy: 1.0597996287156422
Energy: 1.5336082240947824
Energy: 1.059799628716609
Energy: 0.9786497662112603
Energy: 0.9956838485757172
Energy: 1.5336280772301694
Energy: 0.995683848575893
Energy: 0.9788320170132987
Energy: 1.1099258824032967
Energy: 1.3284697160933356
Energy: 1.1099258824034726
Energy: 1.2807847764494473
Energy: 1.1096388279730764
Energy: 1.2760679597204936
Energy: 1.109638827973274
Energy: 1.533641020794821
Energy: 0.9952760569182963
Energy: 1.3293235336843223
Energy: 0.9952760569180985
Energy: 1.4990469014324308
Energy: 0.9955531617250881
Energy: 1.2460296660930932
Energy: 0.9955531617256814

minimum gb energy = 0.9785156352101493 eV
minimum distance =  2.33704294182616 Angstroms
sigma value = 25


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

Energy: 1.71592513790149
Energy: 1.1145173332792426
Energy: 1.0930368907485208
Energy: 1.09242676470448
Energy: 1.340218095316427
Energy: 1.125068817585466
Energy: 1.1958356667753083
Energy: 1.1250688175852213
Energy: 1.3485171952219845
Energy: 1.091879329555539
Energy: 1.091382975568754
Energy: 1.09187932955505
Energy: 1.3932480697589138
Energy: 1.1109341417852425
Energy: 1.110656372411906
Energy: 1.1109341417857317
Energy: 1.2789516977645061
Energy: 1.1318659359535608
Energy: 1.346413647602992
Energy: 1.1318659359535608
Energy: 1.346821907804026
Energy: 1.1600874899865954
Energy: 1.346658929020019
Energy: 1.1600874899870846
Energy: 1.345708426264315
Energy: 1.1315388112857427
Energy: 1.414032949059305
Energy: 1.1315388112855254
Energy: 1.091224320954067
Energy: 1.09312290985306
Energy: 1.4161942243173853
Energy: 1.0931229098528155
Energy: 1.0915013796780337
Energy: 1.0917929401850162
Energy: 1.3934372214407265
Energy: 1.0917929401852609
Energy: 1.1951663399853574
Energy: 1.1247558291860167
Energy: 1.397036105490804
Energy: 1.1247558291855275
Energy: 1.1097475033105701
Energy: 1.09280199473279
Energy: 1.391278053282526
Energy: 1.0928019947330345
Energy: 1.2357311982582737
Energy: 1.1251446025118894
Energy: 1.3917372566065502
Energy: 1.125144602512134
Energy: 1.283722455461102
Energy: 1.0917717045686341
Energy: 1.3931833104506135
Energy: 1.0917717045683897
Energy: 1.2835974786835709
Energy: 1.092121589310218
Energy: 1.286728579235812
Energy: 1.0921215893099736
Energy: 1.3150607850774176
Energy: 1.0918180852845525
Energy: 1.2845402984017336
Energy: 1.0918180852840633
Energy: 1.395739110439318
Energy: 1.0921076590825476
Energy: 1.3435380798853707
Energy: 1.0921076590825476
Energy: 1.3400454458254665
Energy: 1.0924405418935041
Energy: 1.234496200019327
Energy: 1.0924405418927976

minimum gb energy = 1.091224320954067 eV
minimum distance =  2.29952196980185 Angstroms
sigma value = 17


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

Energy: 1.5892803607147772
Energy: 1.1479113874278861
Energy: 1.1585553512470976
Energy: 1.156743152109211
Energy: 1.3328125581123336
Energy: 1.2470245697303939
Energy: 1.2780568863395039
Energy: 1.2470245697303939
Energy: 1.358931736720559
Energy: 1.156743419915831
Energy: 1.1569411582608595
Energy: 1.156743419915831
Energy: 1.3473587956734077
Energy: 1.1613824960993444
Energy: 1.1619094117945723
Energy: 1.1613824961006989
Energy: 1.3447508344726102
Energy: 1.1963234030247538
Energy: 1.3475651136908011
Energy: 1.1963234030233993
Energy: 1.3580521879421017
Energy: 1.1313593221238478
Energy: 1.3458797933823696
Energy: 1.131359322125202
Energy: 1.2749512609846767
Energy: 1.1305946396606872
Energy: 1.3391837564056046
Energy: 1.1305946396620414
Energy: 1.169667217831053
Energy: 1.174187484160651
Energy: 1.367913316952458
Energy: 1.174187484160651
Energy: 1.1453972009970133
Energy: 1.1299430037976743
Energy: 1.356468640608733
Energy: 1.12994300379632
Energy: 1.1512833145239707
Energy: 1.1458237521126435
Energy: 1.3561476765445608
Energy: 1.1458237521126435
Energy: 1.157065205395653
Energy: 1.1324567903253346
Energy: 1.3415419862483196
Energy: 1.1324567903253346
Energy: 1.3511054083440555
Energy: 1.1523015141682704
Energy: 1.3557812199273531
Energy: 1.1523015141682704
Energy: 1.3422543871396604
Energy: 1.1525552160134855
Energy: 1.349588252648692
Energy: 1.1525552160134855
Energy: 1.3424096421613458
Energy: 1.1305956560156298
Energy: 1.155717026865796
Energy: 1.1305956560156298
Energy: 1.3567917326443613
Energy: 1.1299307893262363
Energy: 1.1508925585330758
Energy: 1.1299307893262363
Energy: 1.3456340036783734
Energy: 1.1306353163680511
Energy: 1.157003152114753
Energy: 1.1306353163680511
Energy: 1.359639031543479
Energy: 1.1304479082945758
Energy: 1.1305328005752786
Energy: 1.13044790829593
Energy: 1.3599499277614433
Energy: 1.1318245905700672
Energy: 1.3162496083117448
Energy: 1.1318245905714215
Energy: 1.346002459845873
Energy: 1.130417730188079
Energy: 1.3453951777990165
Energy: 1.1304177301894334
Energy: 1.15966383939786
Energy: 1.196277042905625
Energy: 1.3321212965672478
Energy: 1.196277042905625
Energy: 1.1610724434638604
Energy: 1.1616860465269472
Energy: 1.3442306881745005
Energy: 1.1616860465269472
Energy: 1.158605209953104
Energy: 1.1570172061816622
Energy: 1.344904413705144
Energy: 1.1570172061830164
Energy: 1.2138675498089009
Energy: 1.2317592300493678
Energy: 1.352531479255563
Energy: 1.2317592300520765
Energy: 1.2251675039703844
Energy: 1.1578873862653944
Energy: 1.3588360609081243
Energy: 1.1578873862640402
Energy: 1.294677848614499
Energy: 1.1577251930420722
Energy: 1.344660716265229
Energy: 1.1577251930420722
Energy: 1.2605329763266055
Energy: 1.1567478069211103
Energy: 1.34625488040362
Energy: 1.1567478069224646
Energy: 1.2732445030620163
Energy: 1.1567475729590642
Energy: 1.2641846484650134
Energy: 1.15674757295771
Energy: 1.3590603885854315
Energy: 1.1573811887464591
Energy: 1.2607822072035797
Energy: 1.1573811887464591
Energy: 1.3451541936329998
Energy: 1.1574368122062744
Energy: 1.3796318364291738
Energy: 1.15743681220492
Energy: 1.366788573634577
Energy: 1.157881207237899
Energy: 1.214281944435618
Energy: 1.1578812072365448

minimum gb energy = 1.1299307893262363 eV
minimum distance =  2.28041726765086 Angstroms
sigma value = 53


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

Energy: 1.095864077747733
Energy: 1.1021045848747697
Energy: 1.1324886211732323
Energy: 1.155841824142396
Energy: 1.0981973552810902
Energy: 1.1536631874722514
Energy: 1.1847642942013674
Energy: 1.1536631874725702
Energy: 1.2746180049022855
Energy: 1.1400821900293954
Energy: 1.1860143718351015
Energy: 1.1400821900290763
Energy: 1.2739114804847171
Energy: 1.1884625953144674
Energy: 1.271027042032373
Energy: 1.1884625953144674
Energy: 1.2718465002966672
Energy: 1.1570233140953377
Energy: 1.1859569667912806
Energy: 1.1570233140953377
Energy: 1.2742178284462158
Energy: 1.1343369837116297
Energy: 1.2737029500173167
Energy: 1.1343369837116297
Energy: 1.2731465322699467
Energy: 1.134823165741907
Energy: 1.09853342305682
Energy: 1.134823165742545
Energy: 1.1863425919387303
Energy: 1.156859519006636
Energy: 1.0989996392090688
Energy: 1.156859519006636
Energy: 1.1857969468151468
Energy: 1.1566330285764526
Energy: 1.2740051852897247
Energy: 1.156633028576134
Energy: 1.180909446528824
Energy: 1.1329401473446885
Energy: 1.273917453353348
Energy: 1.1329401473443694
Energy: 1.1811935326327885
Energy: 1.1519744150391606
Energy: 1.271637564497302
Energy: 1.1519744150388418
Energy: 1.2683452024780406
Energy: 1.1878787109412252
Energy: 1.2749576270909144
Energy: 1.1878787109412252
Energy: 1.0989324211868197
Energy: 1.1376560258878978
Energy: 1.273975929751325
Energy: 1.1376560258882167

minimum gb energy = 1.095864077747733 eV
minimum distance =  2.29936963126481 Angstroms
sigma value = 9


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

Energy: 2.0919730541668584
Energy: 1.3184661510491018
Energy: 1.3510347758934615
Energy: 1.340362924933186
Energy: 1.4375472931008597
Energy: 1.3245079675485536
Energy: 1.3979287464203267
Energy: 1.3245079675485536
Energy: 1.2961224471927464
Energy: 1.2890624641456698
Energy: 1.2941317014009726
Energy: 1.2890624641445159
Energy: 1.2938352533889872
Energy: 1.2894238032833674
Energy: 1.292450663753559
Energy: 1.2894238032822134
Energy: 1.293014291598977
Energy: 1.2847922673122016
Energy: 1.32772999396091
Energy: 1.2847922673122016
Energy: 1.3876256279515393
Energy: 1.3167836514458298
Energy: 1.3731863828165254
Energy: 1.3167836514446758
Energy: 1.398627500141976
Energy: 1.4001122664259524
Energy: 1.5395859645089751
Energy: 1.4001122664247985
Energy: 1.4944056198567028
Energy: 1.3982852421298666
Energy: 1.540847781537223
Energy: 1.3982852421298666
Energy: 1.4620292571957234
Energy: 1.2159962944533527
Energy: 1.3799943482814114
Energy: 1.2159962944545066
Energy: 1.3563323814809796
Energy: 1.2982405232293885
Energy: 1.2160453090309689
Energy: 1.2982405232293885
Energy: 1.4648108175932013
Energy: 1.2169006423666644
Energy: 1.2141993300328322
Energy: 1.2169006423666644
Energy: 1.4188905288062836
Energy: 1.3106116113867767
Energy: 1.2932150258613302
Energy: 1.3106116113867767
Energy: 1.54171807289928
Energy: 1.2904086252441849
Energy: 1.290164058925952
Energy: 1.2904086252441849
Energy: 1.5410008797244403
Energy: 1.290775473142371
Energy: 1.4892892151230226
Energy: 1.290775473141217
Energy: 1.4403582560897996
Energy: 1.2113044605317724
Energy: 1.4882827800597656
Energy: 1.2113044605317724
Energy: 1.3189237605586894
Energy: 1.2257391973409846
Energy: 1.5087363926569453
Energy: 1.2257391973409846
Energy: 1.2106972943491512
Energy: 1.2113351251993558
Energy: 1.5651920679444271
Energy: 1.2113351251982016
Energy: 1.2534054167384951
Energy: 1.2774065721049948
Energy: 1.4796720787375814
Energy: 1.277406572106149
Energy: 1.2357698622364708
Energy: 1.2352379646823435
Energy: 1.5438589282075164
Energy: 1.2352379646811895
Energy: 1.3370886195499303
Energy: 1.2579664392570058
Energy: 1.5607380153285888
Energy: 1.2579664392581595
Energy: 1.455148844128444
Energy: 1.2442680973442064
Energy: 1.4546769388394656
Energy: 1.2442680973453606
Energy: 1.483432468613296
Energy: 1.235658526698417
Energy: 1.4536482070189072
Energy: 1.2356585266972633
Energy: 1.4846884857981892
Energy: 1.235650088385193
Energy: 1.2350346120640254
Energy: 1.235650088386347
Energy: 1.4883071753203667
Energy: 1.2456161005842343
Energy: 1.235755356173631
Energy: 1.2456161005842343
Energy: 1.5057412734087834
Energy: 1.2122285999986817
Energy: 1.209626084455768
Energy: 1.2122285999986817
Energy: 1.4375002677697204
Energy: 1.2116888291777148
Energy: 1.2118383851978805
Energy: 1.2116888291777148
Energy: 1.5079998241107093
Energy: 1.2112639210231237
Energy: 1.4409241887133797
Energy: 1.211263921024278
Energy: 1.4878259963811284
Energy: 1.296674433715149
Energy: 1.4687620962646992
Energy: 1.296674433713995
Energy: 1.2897793497364924
Energy: 1.291087217165534
Energy: 1.6082853852106416
Energy: 1.29108721716438
Energy: 1.2891774243699634
Energy: 1.326763465294102
Energy: 1.4442084534076765
Energy: 1.326763465294102
Energy: 1.2157463399844641
Energy: 1.2185511625287784
Energy: 1.474057071990123
Energy: 1.2185511625276244
Energy: 1.216073008380968
Energy: 1.2172702275026417
Energy: 1.4515878737470687
Energy: 1.2172702275026417
Energy: 1.2154817806871225
Energy: 1.297420299948685
Energy: 1.4385984766819384
Energy: 1.2974202999475308
Energy: 1.3849837695300966
Energy: 1.3165119856948753
Energy: 1.4853309354769548
Energy: 1.3165119856948753
Energy: 1.6073358611439998
Energy: 1.4141346016895662
Energy: 1.4177742881702042
Energy: 1.4141346016907206

minimum gb energy = 1.209626084455768 eV
minimum distance =  2.26502511312688 Angstroms
sigma value = 73


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

Energy: 1.7008785627349776
Energy: 1.340384757601278
Energy: 1.3784608408489711
Energy: 1.377418098845085
Energy: 1.483196334679303
Energy: 1.3099395897414323
Energy: 1.3855974780149456
Energy: 1.3099395897414323
Energy: 1.3146506653739147
Energy: 1.2798377933648517
Energy: 1.314959648293367
Energy: 1.2798377933646643
Energy: 1.3159602614916146
Energy: 1.2810298067482486
Energy: 1.3122834865594217
Energy: 1.281029806748436
Energy: 1.3108436977124944
Energy: 1.2920575131918823
Energy: 1.3393519307589954
Energy: 1.2920575131918823
Energy: 1.3727352568812816
Energy: 1.3226325957110123
Energy: 1.420874876237167
Energy: 1.3226325957110123
Energy: 1.389990759960725
Energy: 1.3774552526656685
Energy: 1.552407445539508
Energy: 1.3774552526662094
Energy: 1.5320936637382245
Energy: 1.3903231262978117
Energy: 1.552454981994221
Energy: 1.3903231262983737
Energy: 1.521428266431807
Energy: 1.2042269513751431
Energy: 1.4200730976398548
Energy: 1.2042269513747894
Energy: 1.4075568451989477
Energy: 1.20370365247886
Energy: 1.2044203612136148
Energy: 1.20370365247886
Energy: 1.52211032635501
Energy: 1.2044797855509697
Energy: 1.1998026424330772
Energy: 1.2044797855511569
Energy: 1.4851068575225863
Energy: 1.275406274220753
Energy: 1.2371041283815274
Energy: 1.2754062742209404
Energy: 1.5150089056142726
Energy: 1.2373050729457893
Energy: 1.237215700888287
Energy: 1.2373050729456019
Energy: 1.514801157805981
Energy: 1.2381559667186506
Energy: 1.4749252833327118
Energy: 1.2381559667186506
Energy: 1.5326013430207992
Energy: 1.2289556465709444
Energy: 1.5324825041002579
Energy: 1.2289556465711107
Energy: 1.4341409925585906
Energy: 1.2380343164608532
Energy: 1.6057578643390962
Energy: 1.2380343164612277
Energy: 1.2370511798076198
Energy: 1.2370967398576365
Energy: 1.605831951456513
Energy: 1.2370967398579902
Energy: 1.2541100471628068
Energy: 1.3145462323552586
Energy: 1.4591253581116048
Energy: 1.3145462323554458
Energy: 1.2021954510016073
Energy: 1.204572136621008
Energy: 1.5349077751189908
Energy: 1.204572136621008
Energy: 1.2045269320384777
Energy: 1.203406208561844
Energy: 1.5218326278023009
Energy: 1.2034062085627597
Energy: 1.4205836700370083
Energy: 1.2035965069813481
Energy: 1.5237800494286553
Energy: 1.2035965069815353
Energy: 1.600363699225765
Energy: 1.4117151703748365
Energy: 1.5334325795064538
Energy: 1.4117151703742956

minimum gb energy = 1.1998026424330772 eV
minimum distance =  2.26317417129051 Angstroms
sigma value = 7


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

Energy: 2.355372789373898
Energy: 1.2772519173024177
Energy: 1.360899514610584
Energy: 1.3755815274854548
Energy: 1.6454582975027574
Energy: 1.2725415612330857
Energy: 1.4002772308673659
Energy: 1.2725415612330857
Energy: 1.3575193227991762
Energy: 1.2501748454368262
Energy: 1.3325931234283495
Energy: 1.2501748454368262
Energy: 1.33287224644406
Energy: 1.2502711715453525
Energy: 1.328937522358918
Energy: 1.2502711715453525
Energy: 1.3289613184644677
Energy: 1.2525277338827538
Energy: 1.3341747911121484
Energy: 1.2525277338814593
Energy: 1.371569617173258
Energy: 1.2700728575349005
Energy: 1.433101210127932
Energy: 1.2700728575361953
Energy: 1.4021542586231996
Energy: 1.3751992582476023
Energy: 1.568309219190287
Energy: 1.3751992582476023
Energy: 1.6060016776755979
Energy: 1.401938082455494
Energy: 1.5707071450277537
Energy: 1.401938082455494
Energy: 1.5740422686260334
Energy: 1.2177226346708594
Energy: 1.5173285843102704
Energy: 1.2177226346721541
Energy: 1.459387836390002
Energy: 1.2209897982888889
Energy: 1.217869000716963
Energy: 1.2209897982888889
Energy: 1.5728776651919107
Energy: 1.2176079117059255
Energy: 1.2138420440713473
Energy: 1.2176079117059255
Energy: 1.5134396247603905
Energy: 1.2161780131453872
Energy: 1.2174885396229063
Energy: 1.216178013146682
Energy: 1.5744433382615068
Energy: 1.217806856992753
Energy: 1.21782858853474
Energy: 1.2178068569940474
Energy: 1.5742025095533423
Energy: 1.2186424120739285
Energy: 1.4103538237967819
Energy: 1.2186424120739285
Energy: 1.6087610424926253
Energy: 1.2712697495650556
Energy: 1.5183407552163948
Energy: 1.2712697495650556
Energy: 1.5904303457399493
Energy: 1.4193950924016954
Energy: 1.6452656124332485
Energy: 1.4193950924016954
Energy: 1.4022475161355983
Energy: 1.2727147430064336
Energy: 1.6455741329470839
Energy: 1.272714743005139
Energy: 1.3580348193656362
Energy: 1.253756449265583
Energy: 1.4329521487394727
Energy: 1.253756449265583
Energy: 1.3312346598968945
Energy: 1.2520878700503038
Energy: 1.334453343148871
Energy: 1.2520878700503038
Energy: 1.3336031727068745
Energy: 1.2546650354219533
Energy: 1.3330915702951904
Energy: 1.254665035423248
Energy: 1.4341168669408633
Energy: 1.252804467607806
Energy: 1.3737264436850198
Energy: 1.252804467607806
Energy: 1.5686592465263272
Energy: 1.402149260086344
Energy: 1.4033681732697425
Energy: 1.402149260086344
Energy: 1.5687594963329765
Energy: 1.4027983515527611
Energy: 1.6094089741292872
Energy: 1.4027983515527611
Energy: 1.517740409280221
Energy: 1.2169278989832713
Energy: 1.5868990122891764
Energy: 1.2169278989832713
Energy: 1.4096267895818715
Energy: 1.2205525228505694
Energy: 1.4592590645798809
Energy: 1.2205525228492746
Energy: 1.215148047293804
Energy: 1.2174051589920243
Energy: 1.4569819265650839
Energy: 1.2174051589933188
Energy: 1.2121799750407438
Energy: 1.2160441084200955
Energy: 1.5090084551570688
Energy: 1.2160441084200955
Energy: 1.2154706310822025
Energy: 1.2174755410192297
Energy: 1.574790841100354
Energy: 1.2174755410192297
Energy: 1.2180071682036024
Energy: 1.2203195344792095
Energy: 1.5737947966981773
Energy: 1.2203195344792095
Energy: 1.5181752691974686
Energy: 1.2173696665907117
Energy: 1.5869969903806762
Energy: 1.2173696665907117
Energy: 1.6448556834179802
Energy: 1.2723981072120476
Energy: 1.5889789855587453
Energy: 1.2723981072120476

minimum gb energy = 1.2121799750407438 eV
minimum distance =  2.27947342598238 Angstroms
sigma value = 29


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

Energy: 1.6471606504186824
Energy: 1.095024869854503
Energy: 1.2739424808322648
Energy: 1.2737707920021815
Energy: 1.4522202476460746
Energy: 1.149959003027792
Energy: 1.2721705555861045
Energy: 1.1499590030273663
Energy: 1.2798686356329623
Energy: 1.1469137641969462
Energy: 1.2802742863536143
Energy: 1.1469137641969462
Energy: 1.279011908262127
Energy: 1.1444493687642425
Energy: 1.065395129534529
Energy: 1.1444493687642425
Energy: 1.280635313587267
Energy: 1.1457683561291543
Energy: 1.3117349434413041
Energy: 1.1457683561287033
Energy: 1.2705753105874864
Energy: 1.1443419722058314
Energy: 1.312210485182596
Energy: 1.1443419722067083
Energy: 1.333833815181049
Energy: 1.3327495485656549
Energy: 1.266738392764213
Energy: 1.3327495485656549
Energy: 1.3273045907605725
Energy: 1.151075804982123
Energy: 1.3354633234326356
Energy: 1.151075804982123
Energy: 1.454328223363112
Energy: 1.1501996491040758
Energy: 1.312426451085927
Energy: 1.1501996491040758

minimum gb energy = 1.065395129534529 eV
minimum distance =  2.35162592455614 Angstroms
sigma value = 5


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

Energy: 1.6194434055441922
Energy: 1.4893453115736364
Energy: 1.7212175714765767
Energy: 1.459720771184147
Energy: 1.1917466817085307
Energy: 1.1737519842144803
Energy: 1.2734112949839316
Energy: 1.1737519842144803
Energy: 1.1661135657565427
Energy: 1.167650956239426
Energy: 1.37850944009823
Energy: 1.167650956239426
Energy: 1.162598577132494
Energy: 1.1690812367186552
Energy: 1.4100790151542841
Energy: 1.1690812367186552
Energy: 1.1640638652486546
Energy: 1.169903919051232
Energy: 1.2753431558382207
Energy: 1.169903919050009
Energy: 1.1970804502162915
Energy: 1.201683846551831
Energy: 1.280375936806733
Energy: 1.201683846550608
Energy: 1.1959277177389473
Energy: 1.2020238553819678
Energy: 1.360497129958534
Energy: 1.2020238553807452
Energy: 1.1986875582240437
Energy: 1.1994046861244612
Energy: 1.3691889672078967
Energy: 1.1994046861256842
Energy: 1.1984770322788139
Energy: 1.2006683462057341
Energy: 1.3227276928712266
Energy: 1.2006683462057341
Energy: 1.4591211238602626
Energy: 1.4010303043750352
Energy: 1.4205609559801122
Energy: 1.401030304376258
Energy: 1.265021292393108
Energy: 1.2179264711416706
Energy: 1.3091555383766025
Energy: 1.2179264711428934
Energy: 1.402629673541982
Energy: 1.2506650606929341
Energy: 1.334908185435911
Energy: 1.2506650606929341
Energy: 1.37900315458842
Energy: 1.317379789901989
Energy: 1.3320568317722625
Energy: 1.3173797899032116
Energy: 1.229548934132448
Energy: 1.2017345991745243
Energy: 1.1983542262777194
Energy: 1.2017345991745243
Energy: 1.3724367147809275
Energy: 1.2009705633656051
Energy: 1.1983454301910474
Energy: 1.2009705633668284
Energy: 1.3622541208062307
Energy: 1.1998348273361406
Energy: 1.1982740780316412
Energy: 1.1998348273361406
Energy: 1.2784546030073753
Energy: 1.203413447748668
Energy: 1.1992497103428499
Energy: 1.2034134477498908
Energy: 1.3577511828866973
Energy: 1.1677402185478176
Energy: 1.1621774221714143
Energy: 1.1677402185465946
Energy: 1.356486019861425
Energy: 1.1983081355116272
Energy: 1.165381726310224
Energy: 1.1983081355116272
Energy: 1.3570372752364586
Energy: 1.16887369064275
Energy: 1.1656549006560055
Energy: 1.168873690643973
Energy: 1.434632264077998
Energy: 1.293641429327916
Energy: 1.258025401663956
Energy: 1.293641429327916
Energy: 1.641198593802262
Energy: 1.404164129932457
Energy: 1.268825644540442
Energy: 1.404164129932457
Energy: 1.2614696336281987
Energy: 1.1707035286332415
Energy: 1.1654458169443693
Energy: 1.1707035286332415
Energy: 1.2963117214959439
Energy: 1.2133475429057359
Energy: 1.2713131665594377
Energy: 1.213347542904513
Energy: 1.2975146602732095
Energy: 1.1680188053206337
Energy: 1.2115060565729483
Energy: 1.1680188053206337
Energy: 1.2608075940446812
Energy: 1.2190114918111217
Energy: 1.2608799651335019
Energy: 1.2190114918111217
Energy: 1.2585342617937807
Energy: 1.2195824485944868
Energy: 1.2609768359905937
Energy: 1.2195824485957099
Energy: 1.2614349344159106
Energy: 1.216224449120331
Energy: 1.2587326330945212
Energy: 1.2162244491191077
Energy: 1.1792394950422063
Energy: 1.2182700436233183
Energy: 1.2631152971267494
Energy: 1.2182700436233183
Energy: 1.2109494197880268
Energy: 1.212180127677297
Energy: 1.3548325501577074
Energy: 1.2121801276785198
Energy: 1.2716106520291286
Energy: 1.2128005264340112
Energy: 1.3544082905178083
Energy: 1.212800526435234
Energy: 1.166137439173449
Energy: 1.1699835033114458
Energy: 1.2633656584822115
Energy: 1.1699835033114458
Energy: 1.2099285947179201
Energy: 1.5361819399916836
Energy: 1.5245935543847808
Energy: 1.5361819399904608

minimum gb energy = 1.1621774221714143 eV
minimum distance =  2.27685561401376 Angstroms
sigma value = 1


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

Energy: 2.2780248925346434
Energy: 1.2526869598986141
Energy: 1.431562793843196
Energy: 1.4342029614773686
Energy: 1.1819092743707311
Energy: 1.1232824075390602
Energy: 1.239747641137271
Energy: 1.123282407540751
Energy: 1.2033967719834784
Energy: 1.2016134560696294
Energy: 1.3638444668100953
Energy: 1.2016134560696294
Energy: 1.2021757794572803
Energy: 1.2057789966141828
Energy: 1.2783888190649848
Energy: 1.2057789966158738
Energy: 1.2030521607130553
Energy: 1.2081689970036307
Energy: 1.23952937824303
Energy: 1.2081689970019396
Energy: 1.2145864433130922
Energy: 1.1995395410980298
Energy: 1.240760035851896
Energy: 1.1995395410980298
Energy: 1.214068221372851
Energy: 1.1995319850327963
Energy: 1.285826203159839
Energy: 1.1995319850327963
Energy: 1.2510842581175359
Energy: 1.1977757384984182
Energy: 1.285533893218091
Energy: 1.1977757384984182
Energy: 1.1227072600039323
Energy: 1.141857605010797
Energy: 1.2941515013613973
Energy: 1.141857605010797
Energy: 1.2892955354344715
Energy: 1.2930002017162858
Energy: 1.5575084464521374
Energy: 1.2930002017162858
Energy: 1.1239322380020411
Energy: 1.142127083439491
Energy: 1.1770091782475054
Energy: 1.142127083439491
Energy: 1.1230970780482687
Energy: 1.0929024136202135
Energy: 1.1764651907032488
Energy: 1.0929024136185226
Energy: 1.1206148615502218
Energy: 1.096476663510987
Energy: 1.1766810613099743
Energy: 1.096476663510987
Energy: 1.1222481051318918
Energy: 1.0947505337148358
Energy: 1.1769674220533888
Energy: 1.0947505337148358
Energy: 1.2781563353339258
Energy: 1.2898104585344672
Energy: 1.3156882728802604
Energy: 1.2898104585344672
Energy: 1.2784120779897217
Energy: 1.1519227644696184
Energy: 1.2826958434280156
Energy: 1.1519227644696184
Energy: 1.2973456794641347
Energy: 1.1525410011308512
Energy: 1.231967527158694
Energy: 1.1525410011308512
Energy: 1.2744164806205467
Energy: 1.2089005969797595
Energy: 1.2251405891717693
Energy: 1.2089005969797595
Energy: 1.2746632713719126
Energy: 1.2093202531032177
Energy: 1.2252817417985211
Energy: 1.2093202531032177
Energy: 1.2812936970632314
Energy: 1.2085288048115121
Energy: 1.2125705684611596
Energy: 1.2085288048115121
Energy: 1.440970463079492
Energy: 1.202728505444396
Energy: 1.2898265987152215
Energy: 1.202728505444396
Energy: 1.454041371446544
Energy: 1.4411592742132395
Energy: 1.289284723751424
Energy: 1.4411592742132395
Energy: 1.2029878865379438
Energy: 1.2416492218883914
Energy: 1.2258196820262393
Energy: 1.2416492218867003
Energy: 1.1817159675233584
Energy: 1.3437825832936143
Energy: 1.211706346145154
Energy: 1.3437825832936143

minimum gb energy = 1.0929024136185226 eV
minimum distance =  2.25776264132012 Angstroms
sigma value = 17


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

Energy: 1.3460199838326556
Energy: 1.490744535421096
Energy: 1.6834816678237314
Energy: 1.5975370240688411
Energy: 1.148632862060616
Energy: 1.1819189849765688
Energy: 1.1781907493634542
Energy: 1.1819189849776142
Energy: 1.145119994755019
Energy: 1.1476899268102307
Energy: 1.3805975341249788
Energy: 1.1476899268091854
Energy: 1.1453300485181648
Energy: 1.149651255239467
Energy: 1.380501154929348
Energy: 1.1496512552405123
Energy: 1.1470030925057917
Energy: 1.150235708565528
Energy: 1.2337396795606905
Energy: 1.1502357085665729
Energy: 1.2218225888896983
Energy: 1.1819156651417735
Energy: 1.233827152859595
Energy: 1.1819156651428186
Energy: 1.2221630295187227
Energy: 1.1826653385023131
Energy: 1.220755993946057
Energy: 1.1826653385044035
Energy: 1.2337227607041692
Energy: 1.1823137508682
Energy: 1.219807592396015
Energy: 1.1823137508713355
Energy: 1.270316262548935
Energy: 1.1482369409789286
Energy: 1.144636732245788
Energy: 1.1482369409789286
Energy: 1.333580324836777
Energy: 1.1513459365008372
Energy: 1.1488451042960202
Energy: 1.1513459365008372
Energy: 1.1808814073158862
Energy: 1.1491715003541705
Energy: 1.145785036258004
Energy: 1.1491715003552154
Energy: 1.383364032367225
Energy: 1.1783076252288511
Energy: 1.1780952341986386
Energy: 1.1783076252288511
Energy: 1.4811715048341239
Energy: 1.4097687726871553
Energy: 1.1776793086797501
Energy: 1.4097687726882007
Energy: 1.1807358410229913
Energy: 1.1546780852329606
Energy: 1.145808830066389
Energy: 1.1546780852319154
Energy: 1.3888238106199289
Energy: 1.14816829871261
Energy: 1.2519968144293143
Energy: 1.148168298711565
Energy: 1.1912546014782777
Energy: 1.1472361955139974
Energy: 1.1393795963483222
Energy: 1.1472361955129522
Energy: 1.1808319815108226
Energy: 1.1807584132003497
Energy: 1.2880054061600261
Energy: 1.1807584131993045
Energy: 1.179665305578555
Energy: 1.182416892213124
Energy: 1.2889691837852282
Energy: 1.1824168922120788
Energy: 1.1853399749416171
Energy: 1.176737101159554
Energy: 1.2894060771212492
Energy: 1.176737101159554
Energy: 1.2046653685847801
Energy: 1.22705598545366
Energy: 1.3097810397435887
Energy: 1.2270559854547052
Energy: 1.163429142863613
Energy: 1.164178693781079
Energy: 1.3413490187053856
Energy: 1.164178693781079
Energy: 1.159633722889958
Energy: 1.1652331317585194
Energy: 1.3634053629566172
Energy: 1.165233131756429
Energy: 1.160417465642655
Energy: 1.1684355625193608
Energy: 1.1546044238354738
Energy: 1.168435562522496
Energy: 1.2678794917987761
Energy: 1.3929254814456387
Energy: 1.394804652401002
Energy: 1.3929254814435483
Energy: 1.178370537299912
Energy: 1.1643013942511176
Energy: 1.2737173853745427
Energy: 1.1643013942511176
Energy: 1.1595589855961064
Energy: 1.1655819715930407
Energy: 1.160309028088016
Energy: 1.1655819715919957
Energy: 1.4494748434583804
Energy: 1.4256616394371626
Energy: 1.1886608421611007
Energy: 1.4256616394371626
Energy: 1.1542004415234455
Energy: 1.1647302434712252
Energy: 1.1685492539712241
Energy: 1.1647302434722704
Energy: 1.361454623236144
Energy: 1.1644352049068067
Energy: 1.1599459461015722
Energy: 1.1644352049078517
Energy: 1.3268476648416618
Energy: 1.1671695934708464
Energy: 1.1586196527834234
Energy: 1.1671695934729367
Energy: 1.2964942850422239
Energy: 1.166670461633192
Energy: 1.1591308955348092
Energy: 1.166670461633192
Energy: 1.306265793868871
Energy: 1.1829173636525243
Energy: 1.1808165360999194
Energy: 1.1829173636535695
Energy: 1.2899040368341401
Energy: 1.1795641314215066
Energy: 1.1832113049481023
Energy: 1.1795641314204612
Energy: 1.303227267315026
Energy: 1.1772294808875285
Energy: 1.181365396333889
Energy: 1.1772294808885735
Energy: 1.1446273399876614
Energy: 1.1483532247811072
Energy: 1.1810496524531664
Energy: 1.1483532247842427
Energy: 1.2278801300196478
Energy: 1.2228147051562
Energy: 1.2889263752773426
Energy: 1.2228147051562
Energy: 1.1452253809033424
Energy: 1.1485525219615342
Energy: 1.1807562356588972
Energy: 1.148552521958399
Energy: 1.1671087005966183
Energy: 1.1783657753365726
Energy: 1.4012156975470618
Energy: 1.178365775337618

minimum gb energy = 1.1393795963483222 eV
minimum distance =  2.25898781760421 Angstroms
sigma value = 89


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

Energy: 2.120075840582052
Energy: 1.0981197214786642
Energy: 1.4283481141062764
Energy: 1.3676846098424082
Energy: 1.0941470928321517
Energy: 1.1067587906222192
Energy: 1.0962350202978426
Energy: 1.1067587906222192
Energy: 1.1004593071524855
Energy: 1.1043850518572231
Energy: 1.2278331963897913
Energy: 1.1043850518580312
Energy: 1.0968306652312254
Energy: 1.106690432159849
Energy: 1.2267962667785737
Energy: 1.1066904321596
Energy: 1.099657121566502
Energy: 1.1123346987936678
Energy: 1.1926542994227425
Energy: 1.1123346987931084
Energy: 1.1690089723308974
Energy: 1.1110984893668336
Energy: 1.1908547387124997
Energy: 1.1110984893665539
Energy: 1.169203033581655
Energy: 1.1071171261924861
Energy: 1.1695912381926243
Energy: 1.1071171261919266
Energy: 1.1918478796562073
Energy: 1.1124651667669798
Energy: 1.1646144836541064
Energy: 1.1124651667672596
Energy: 1.180008377303556
Energy: 1.1070929314678946
Energy: 1.0972012396451991
Energy: 1.1070929314678946
Energy: 1.180021763885166
Energy: 1.1141135565581002
Energy: 1.0989381883185607
Energy: 1.1141135565578202
Energy: 1.1792681031899197
Energy: 1.1039844619710848
Energy: 1.1006736473014607
Energy: 1.103984461970805
Energy: 1.0954686547298051
Energy: 1.1041066861713413
Energy: 1.1739906642164957
Energy: 1.1041066861710616
Energy: 1.3756472654648872
Energy: 1.095968254777528
Energy: 1.1740132706446236
Energy: 1.0959682547778078
Energy: 1.100169974652995
Energy: 1.1910867545459891
Energy: 1.100574556184461
Energy: 1.1910867545459891
Energy: 1.0944812469261544
Energy: 1.1053402506429189
Energy: 1.0998163241366528
Energy: 1.105340250644286

minimum gb energy = 1.0941470928321517 eV
minimum distance =  2.26666984388852 Angstroms
sigma value = 13


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

Energy: 1.297285556129511
Energy: 1.0813200454414447
Energy: 1.3686748767795949
Energy: 1.3369333507401435
Energy: 1.0724534445761926
Energy: 1.0811321846925286
Energy: 1.0780497118013634
Energy: 1.0811321846936748
Energy: 1.0785104209514782
Energy: 1.078935340003106
Energy: 1.2631228435289703
Energy: 1.078935340003106
Energy: 1.076816454570799
Energy: 1.0783963548108944
Energy: 1.2562742757552956
Energy: 1.078396354812041
Energy: 1.1664609087549993
Energy: 1.0841302042941683
Energy: 1.1506087014982989
Energy: 1.0841302042941683
Energy: 1.2025658091100884
Energy: 1.0650483685918353
Energy: 1.102988536460926
Energy: 1.0650483685918353
Energy: 1.1955575160271554
Energy: 1.0644978030142838
Energy: 1.1161373456547472
Energy: 1.0644978030142838
Energy: 1.2178442227223327
Energy: 1.0653909787231188
Energy: 1.1031986647217928
Energy: 1.0653909787231188
Energy: 1.1795026253585001
Energy: 1.0664512671286333
Energy: 1.1061384149613476
Energy: 1.0664512671286333
Energy: 1.1958141318701083
Energy: 1.0666346639892759
Energy: 1.1018650960663934
Energy: 1.0666346639892759
Energy: 1.1941301307480725
Energy: 1.0702415325046633
Energy: 1.1501664358819228
Energy: 1.0702415325046633
Energy: 1.0772448767037366
Energy: 1.077991924113411
Energy: 1.1762384925007496
Energy: 1.077991924113411
Energy: 1.0833247146144835
Energy: 1.0779879606198857
Energy: 1.1757324273594083
Energy: 1.0779879606198857
Energy: 1.07888204223149
Energy: 1.0833790357265811
Energy: 1.1774075870847729
Energy: 1.0833790357265811
Energy: 1.1726392672647319
Energy: 1.0787970413557584
Energy: 1.075972520132068
Energy: 1.0787970413546122
Energy: 1.1726004663854677
Energy: 1.0781418832832514
Energy: 1.0791045507632158
Energy: 1.0781418832832514
Energy: 1.079144024905193
Energy: 1.083355013140708
Energy: 1.0792923410963429
Energy: 1.083355013140708
Energy: 1.0798374499515444
Energy: 1.0801948904643344
Energy: 1.2537587190684718
Energy: 1.0801948904654806
Energy: 1.0817059610242787
Energy: 1.0790773092376582
Energy: 1.0722183780251373
Energy: 1.0790773092376582
Energy: 1.1757664134819539
Energy: 1.0810622752220385
Energy: 1.07842647284353
Energy: 1.0810622752231847
Energy: 1.2991212023412362
Energy: 1.0800016321054131
Energy: 1.0769594644402514
Energy: 1.0800016321042671
Energy: 1.1498780507419073
Energy: 1.0812254061948416
Energy: 1.0786924674875853
Energy: 1.0812254061948416
Energy: 1.1068744272324234
Energy: 1.066390738456202
Energy: 1.1975689359724355
Energy: 1.066390738456202
Energy: 1.1091464434625495
Energy: 1.0652812683328634
Energy: 1.128256181293014
Energy: 1.0652812683328634
Energy: 1.101637161408284
Energy: 1.0663685102876679
Energy: 1.1780180678936827
Energy: 1.0663685102899605
Energy: 1.1027826691791673
Energy: 1.069235599597101
Energy: 1.1797056335477956
Energy: 1.069235599597101
Energy: 1.1048201055803277
Energy: 1.0670252684026043
Energy: 1.1960865207755378
Energy: 1.0670252684026043
Energy: 1.152632947261156
Energy: 1.0681335159332233
Energy: 1.1946938314134794
Energy: 1.068133515932077
Energy: 1.1501963528304178
Energy: 1.0793912926014144
Energy: 1.0768365664432593
Energy: 1.079391292600268
Energy: 1.1922878216026374
Energy: 1.0787283750042989
Energy: 1.079312686925385
Energy: 1.0787283750042989
Energy: 1.1761857383146535
Energy: 1.0863454495352725
Energy: 1.0787442313339646
Energy: 1.0863454495352725
Energy: 1.0778252709226086
Energy: 1.078199451301544
Energy: 1.1728532029919918
Energy: 1.078199451301544
Energy: 1.0781135776921442
Energy: 1.0790145206361357
Energy: 1.1728201139996526
Energy: 1.0790145206361357
Energy: 1.0786610098278793
Energy: 1.083588281975947
Energy: 1.07941742606075
Energy: 1.083588281975947
Energy: 1.0723555730126557
Energy: 1.0782242714012737
Energy: 1.0840986555329866
Energy: 1.0782242714012737

minimum gb energy = 1.0644978030142838 eV
minimum distance =  2.28580004692628 Angstroms
sigma value = 37


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

Energy: 1.275225292451693
Energy: 1.0364915289847174
Energy: 1.2934133836855375
Energy: 1.2697671878158123
Energy: 1.0233375176508395
Energy: 1.0291439774549038
Energy: 1.0322497425998785
Energy: 1.029143977455509
Energy: 1.033730719366971
Energy: 1.0319957576988545
Energy: 1.1793049711096264
Energy: 1.0319957576988545
Energy: 1.033032454977834
Energy: 1.02968724606105
Energy: 1.2128026584258336
Energy: 1.029687246060445
Energy: 1.0829370626082728
Energy: 1.044584273877933
Energy: 1.0376957283858135
Energy: 1.0445842738781121
Energy: 1.1007563823217337
Energy: 1.0024448582488665
Energy: 1.0370744677455257
Energy: 1.0024448582490681
Energy: 1.1007147191747535
Energy: 1.0012906336069567
Energy: 1.037336152316357
Energy: 1.0012906336069567
Energy: 1.134363338369361
Energy: 0.9892045574741457
Energy: 1.0375656889041243
Energy: 0.9892045574743473
Energy: 1.0733271278445198
Energy: 0.9867953761550378
Energy: 1.0729134344536202
Energy: 0.986795376155217
Energy: 1.0729820698557304
Energy: 0.9859865396119621
Energy: 1.0733071066138389
Energy: 0.9859865396119621
Energy: 1.081298199518323
Energy: 1.070101379701134
Energy: 1.1345672083847793
Energy: 1.070101379700753
Energy: 1.0378296348022318
Energy: 1.0020456237450461
Energy: 1.1620098395515877
Energy: 1.0020456237452477
Energy: 1.0362552180580396
Energy: 1.0019710137186613
Energy: 1.129395236477892
Energy: 1.0019710137186613
Energy: 1.0366845885653062
Energy: 1.003348866244232
Energy: 1.0834996228338083
Energy: 1.0033488662438512
Energy: 1.1550414443959416
Energy: 1.0294389473543104
Energy: 1.0344582207339836
Energy: 1.0294389473537053
Energy: 1.0805039447316414
Energy: 1.0298176383007884
Energy: 1.0336036302830354
Energy: 1.0298176383009903
Energy: 1.0388743438460784
Energy: 1.044546779857922
Energy: 1.0342606356240516
Energy: 1.0445467798573391
Energy: 1.270024707881399
Energy: 1.035850835425363
Energy: 1.1249624400280187
Energy: 1.035850835425744
Energy: 1.033604738160628
Energy: 1.031778892728734
Energy: 1.124901687898671
Energy: 1.0317788927283527
Energy: 1.0233375176453268
Energy: 1.0293455557538393
Energy: 1.0337126516996953
Energy: 1.0293455557534361

minimum gb energy = 0.9859865396119621 eV
minimum distance =  2.27931212748157 Angstroms
sigma value = 25


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

Energy: 1.22679229929739
Energy: 0.9635824766592326
Energy: 1.169527630462416
Energy: 1.1681231113380415
Energy: 0.9579884313502941
Energy: 0.9657901474413483
Energy: 0.9634671298171026
Energy: 0.9657901474413483
Energy: 0.9638467812019462
Energy: 0.961850286401057
Energy: 0.9738429658024186
Energy: 0.9618502863995172
Energy: 0.9635770330511213
Energy: 0.9570117083321183
Energy: 1.0673349743409855
Energy: 0.9570117083321183
Energy: 0.9680730609544256
Energy: 0.9304405917939219
Energy: 0.9687458500618522
Energy: 0.9304405917939219
Energy: 1.069639611455036
Energy: 0.9292588667220905
Energy: 0.9682925170390316
Energy: 0.9292588667220905
Energy: 1.0696142975899596
Energy: 0.9276571394421871
Energy: 0.9692855636322967
Energy: 0.9276571394421871
Energy: 1.0094227663807698
Energy: 0.9251873479952838
Energy: 1.0279143826199146
Energy: 0.9251873479952838
Energy: 0.9815102918832428
Energy: 0.9006330170533833
Energy: 1.0454180263800001
Energy: 0.9006330170518435
Energy: 0.9827093762096715
Energy: 0.9008493174804902
Energy: 1.006693847330074
Energy: 0.9008493174804902
Energy: 0.9748994396945984
Energy: 0.8930107141928776
Energy: 1.0353002193116756
Energy: 0.8930107141928776
Energy: 1.003718858678943
Energy: 0.8914310561563938
Energy: 1.0041108944810382
Energy: 0.8914310561548539
Energy: 1.0044838309758644
Energy: 0.8919766805744066
Energy: 1.0036529986784426
Energy: 0.8919766805744066
Energy: 1.0371167169728943
Energy: 0.9030017539530825
Energy: 0.9843836784708756
Energy: 0.9030017539530825
Energy: 1.0450574754230055
Energy: 0.9013345863354171
Energy: 0.9827983838151948
Energy: 0.9013345863354171
Energy: 1.0280992621141398
Energy: 0.9015163935228668
Energy: 0.9818827195433241
Energy: 0.9015163935244068
Energy: 0.9686853465308719
Energy: 0.9295896135982161
Energy: 1.0091577450699178
Energy: 0.9295896135997559
Energy: 0.9718396938910294
Energy: 0.9280245669512741
Energy: 0.9723690692572619
Energy: 0.9280245669512741
Energy: 0.9684479736982268
Energy: 0.9314803770467204
Energy: 1.0313312533164225
Energy: 0.9314803770467204
Energy: 0.9685649218327256
Energy: 0.9657830920327409
Energy: 0.9635024460190528
Energy: 0.9657830920312009
Energy: 1.1807014704219867
Energy: 0.9586609380808827
Energy: 0.9640468057923006
Energy: 0.9586609380824227
Energy: 0.968554075852998
Energy: 0.9606718590825197
Energy: 0.9640196782684892
Energy: 0.9606718590840595
Energy: 0.9686851903021345
Energy: 0.9632138579129741
Energy: 0.964781061509171
Energy: 0.9632138579129741
Energy: 0.9669302333491503
Energy: 0.9607531124197533
Energy: 0.9636424184759864
Energy: 0.9607531124197533
Energy: 0.9638278481374144
Energy: 0.9625594402777136
Energy: 0.9638488489563061
Energy: 0.9625594402777136
Energy: 0.9714663728777627
Energy: 0.9579352257273509
Energy: 0.9640800450415743
Energy: 0.9579352257273509

minimum gb energy = 0.8914310561548539 eV
minimum distance =  2.29044785852277 Angstroms
sigma value = 41


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

Energy: 1.163466203800169
Energy: 0.8982827487046475
Energy: 1.0680323884202174
Energy: 1.0666837343533393
Energy: 0.8944689048120609
Energy: 0.8693293289208892
Energy: 0.9040383476172498
Energy: 0.8693293289208892
Energy: 0.8986208829344356
Energy: 0.8935305194598248
Energy: 0.9095401793222282
Energy: 0.8935305194598248
Energy: 0.8997319476478354
Energy: 0.8916242220960722
Energy: 0.8913446266532024
Energy: 0.8916242220960722
Energy: 0.9043502541525642
Energy: 0.8792741394574831
Energy: 0.9042050456178139
Energy: 0.8792741394574831
Energy: 0.8955976083757043
Energy: 0.8673560675225707
Energy: 0.9042799133539745
Energy: 0.8673560675225707
Energy: 1.0212322198795842
Energy: 0.8656870409604419
Energy: 0.9059617311999018
Energy: 0.8656870409617045
Energy: 0.9384468804666045
Energy: 0.9281592789811254
Energy: 0.9780801093879603
Energy: 0.9281592789823878
Energy: 0.9167409146491997
Energy: 0.8381616975310711
Energy: 0.9270984586929956
Energy: 0.8381616975323333
Energy: 0.9188242014340766
Energy: 0.8386143274624799
Energy: 0.9281393269012715
Energy: 0.8386143274612173
Energy: 0.9217556896470901
Energy: 0.8227893623875018
Energy: 0.9643127227701029
Energy: 0.8227893623875018
Energy: 0.9198156471056169
Energy: 0.8222729668424996
Energy: 0.9300969942696751
Energy: 0.8222729668412372
Energy: 0.9335349310580672
Energy: 0.8226174178774355
Energy: 0.9315031370988405
Energy: 0.8226174178774355
Energy: 0.9572779364381621
Energy: 0.8162926330154542
Energy: 0.9055192844717508
Energy: 0.8162926330167167
Energy: 0.9035943696523114
Energy: 0.8154647948113648
Energy: 0.903149780359083
Energy: 0.8154647948113648
Energy: 0.9218751742546574
Energy: 0.8167658203482618
Energy: 0.9491934178580099
Energy: 0.8167658203469993
Energy: 0.9041263843225303
Energy: 0.8218320369706635
Energy: 0.9572067695929238
Energy: 0.8218320369694011
Energy: 0.926873360924284
Energy: 0.8216721751622215
Energy: 0.9187150343177298
Energy: 0.821672175160959
Energy: 0.9415552503049844
Energy: 0.8214583327878127
Energy: 0.9181958666047408
Energy: 0.8214583327878127
Energy: 0.9602618296437972
Energy: 0.838519746008995
Energy: 0.9167370566667072
Energy: 0.838519746008995
Energy: 0.9766885738920419
Energy: 0.8396860701747121
Energy: 0.9186196192539041
Energy: 0.8396860701747121
Energy: 0.9149462374362228
Energy: 0.8391401361341414
Energy: 0.917892483991791
Energy: 0.839140136135404
Energy: 0.9054522030548275
Energy: 0.8661905200117436
Energy: 0.9171717519328304
Energy: 0.8661905200104811
Energy: 0.9045171919440071
Energy: 0.8659388646069218
Energy: 0.9163679864927099
Energy: 0.8659388646069218
Energy: 0.9045509322672567
Energy: 0.8684293265952038
Energy: 0.9045703660542229
Energy: 0.8684293265952038
Energy: 0.9143497425508664
Energy: 0.8931874609054382
Energy: 0.9001957719738323
Energy: 0.8931874609041757
Energy: 0.9023885134220146
Energy: 0.8920124161768472
Energy: 0.8988144687978307
Energy: 0.8920124161768472
Energy: 0.9045216851663131
Energy: 0.9233900396220083
Energy: 0.8987086120978751
Energy: 0.9233900396232707
Energy: 0.9011112180533802
Energy: 0.8918163299959033
Energy: 0.8990196660549712
Energy: 0.8918163299946409
Energy: 0.8986072055392339
Energy: 0.8926901954152386
Energy: 0.8992846534186
Energy: 0.8926901954139761
Energy: 0.8985082007078371
Energy: 0.8976058175695427
Energy: 0.8987849632476608
Energy: 0.8976058175708049
Energy: 0.9073153401996917
Energy: 0.8919201834423262
Energy: 0.9017860835446471
Energy: 0.8919201834410637

minimum gb energy = 0.8154647948113648 eV
minimum distance =  2.29547219736325 Angstroms
sigma value = 15


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

Energy: 0.9491027679352427
Energy: 0.8425065982591845
Energy: 0.9855155976997246
Energy: 0.9852720255576268
Energy: 0.83911780681215
Energy: 0.8152418664927177
Energy: 0.8471405546544352
Energy: 0.8152418664927177
Energy: 0.8422778885879283
Energy: 0.837635319302839
Energy: 0.8530757312320003
Energy: 0.8376353193060472
Energy: 0.8433475435980968
Energy: 0.8367819171219786
Energy: 0.8376510990601568
Energy: 0.8367819171219786
Energy: 0.8480213868087461
Energy: 0.8242043908456465
Energy: 0.8473567914755167
Energy: 0.8242043908445771
Energy: 0.8506392975082427
Energy: 0.8148097953811668
Energy: 0.8540032777017593
Energy: 0.8148097953800975
Energy: 0.8719633549497909
Energy: 0.814383308523512
Energy: 0.8483719669443127
Energy: 0.814383308521373
Energy: 0.8595147230214869
Energy: 0.8669340914043148
Energy: 0.8592004913601021
Energy: 0.8669340914043148
Energy: 0.8592820273804345
Energy: 0.7881098982192092
Energy: 0.8525810288586232
Energy: 0.7881098982181397
Energy: 0.8591783727336343
Energy: 0.7885921115138245
Energy: 0.8841018810587796
Energy: 0.7885921115127549
Energy: 0.8761852503116394
Energy: 0.769647558216444
Energy: 0.8790676681710633
Energy: 0.7696475582153747
Energy: 0.8586559725190602
Energy: 0.7703395581525274
Energy: 0.8690356122132565
Energy: 0.7703395581525274
Energy: 0.8934182788302435
Energy: 0.7704390525860169
Energy: 0.8688992461673292
Energy: 0.7704390525838779
Energy: 0.8946334813811759
Energy: 0.7586439019238973
Energy: 0.8620810081915986
Energy: 0.7586439019228765
Energy: 0.8855991644916914
Energy: 0.760274453794715
Energy: 0.8552829424064875
Energy: 0.760274453794715
Energy: 0.8641971096467571
Energy: 0.7603621157041406
Energy: 0.8938695663723398
Energy: 0.7603621157020016
Energy: 0.8545918789436332
Energy: 0.7565900532910217
Energy: 0.8962602024549976
Energy: 0.7565900532899522
Energy: 0.8508218129933416
Energy: 0.7554873409782058
Energy: 0.8497218535629071
Energy: 0.7554873409771364
Energy: 0.8963477635898339
Energy: 0.7568177744973006
Energy: 0.85636660760856
Energy: 0.7568177744973006
Energy: 0.8940339162123071
Energy: 0.7602114967789391
Energy: 0.8704627745067456
Energy: 0.7602114967778696
Energy: 0.8565488320660158
Energy: 0.7598278041429365
Energy: 0.8869866016718665
Energy: 0.7598278041429365
Energy: 0.8632713299430157
Energy: 0.758566043961981
Energy: 0.8944019880295557
Energy: 0.758566043961981
Energy: 0.8714676372133877
Energy: 0.7703855400089169
Energy: 0.8934617252429454
Energy: 0.7703855400089169
Energy: 0.8694333928835077
Energy: 0.7699039221746664
Energy: 0.8672120504284526
Energy: 0.7699039221746664
Energy: 0.8798098306396759
Energy: 0.769579819258427
Energy: 0.8585152282054517
Energy: 0.769579819260566
Energy: 0.878903640018565
Energy: 0.7872332917555871
Energy: 0.8587502748397149
Energy: 0.7872332917555871
Energy: 0.8657502107501005
Energy: 0.7882675614031632
Energy: 0.8587888551340173
Energy: 0.7882675614042326
Energy: 0.8473244280068055
Energy: 0.7885506997881655
Energy: 0.8608212251491452
Energy: 0.7885506997881655
Energy: 0.8480199198158492
Energy: 0.8147828768896781
Energy: 0.8571866282656714
Energy: 0.8147828768907476
Energy: 0.85286521836816
Energy: 0.8142008545711822
Energy: 0.8578504021339878
Energy: 0.8142008545733213
Energy: 0.8476216289614432
Energy: 0.85185707826719
Energy: 0.8593806639506306
Energy: 0.8518570782682594
Energy: 0.8565565731484188
Energy: 0.8365632254779504
Energy: 0.8428795315490861
Energy: 0.8365632254800892
Energy: 0.8454584396675191
Energy: 0.8371768487619494
Energy: 0.8423371763485662
Energy: 0.8371768487608799
Energy: 0.8472419041200124
Energy: 0.815238875185063
Energy: 0.8423011566728829
Energy: 0.8152388751839935
Energy: 1.0008560043304242
Energy: 0.9796495715791378
Energy: 0.8442576508822282
Energy: 0.9796495715769987
Energy: 0.8419577945564722
Energy: 0.8387748247389106
Energy: 0.845560502233606
Energy: 0.8387748247378413
Energy: 0.8520211654677777
Energy: 0.8380890068185961
Energy: 0.8424740232324283
Energy: 0.8380890068175265

minimum gb energy = 0.7554873409771364 eV
minimum distance =  2.29805447809137 Angstroms
sigma value = 85


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

Energy: 0.8412020762886214
Energy: 0.7192521064313613
Energy: 0.8546489677702542
Energy: 0.8540520495830112
Energy: 0.7275698852568059
Energy: 0.7140787487563267
Energy: 0.7487584850571221
Energy: 0.7140787487554201
Energy: 0.7365466266746719
Energy: 0.7312589085250256
Energy: 0.7413564211660862
Energy: 0.7312589085250256
Energy: 0.7371393088463374
Energy: 0.7290103835942986
Energy: 0.7357513087369846
Energy: 0.729010383593371
Energy: 0.7488074373206843
Energy: 0.7563322636983817
Energy: 0.748712728611007
Energy: 0.7563322636983817
Energy: 0.7731903734423539
Energy: 0.7148985205499199
Energy: 0.7484266165116612
Energy: 0.7148985205489925
Energy: 0.7382640834348536
Energy: 0.7146336869171414
Energy: 0.7485881077243826
Energy: 0.7146336869171414
Energy: 0.7791927415957018
Energy: 0.7784450130132955
Energy: 0.7785883050449978
Energy: 0.7784450130142232
Energy: 0.768234704166174
Energy: 0.6992082249426214
Energy: 0.7500237970660237
Energy: 0.6992082249426214
Energy: 0.7663478940767914
Energy: 0.6993403654749486
Energy: 0.7776578154094538
Energy: 0.6993403654749486
Energy: 0.774031593328455
Energy: 0.6925731284588841
Energy: 0.8013049403636378
Energy: 0.6925731284579566
Energy: 0.7780020620743883
Energy: 0.6902539978022434
Energy: 0.7839603695155652
Energy: 0.690253997803171
Energy: 0.8072768801917958
Energy: 0.6908665309154751
Energy: 0.7843121722092135
Energy: 0.6908665309145476
Energy: 0.8084838535102779
Energy: 0.6888642398385351
Energy: 0.7837755904083067
Energy: 0.6888642398385351
Energy: 0.8010321601785136
Energy: 0.6867474236121932
Energy: 0.7810007379519286
Energy: 0.6867474236121932
Energy: 0.7877181271780145
Energy: 0.6877592114805948
Energy: 0.8149485245711922
Energy: 0.6877592114805948
Energy: 0.7855986047186566
Energy: 0.6871058461787313
Energy: 0.8155972352014944
Energy: 0.6871058461787313
Energy: 0.7855935791993448
Energy: 0.6865314540992874
Energy: 0.8161181132364655
Energy: 0.6865314540992874
Energy: 0.8201035929347128
Energy: 0.687099117553592
Energy: 0.7874714690757094
Energy: 0.687099117553592
Energy: 0.820309921883823
Energy: 0.6863732715282788
Energy: 0.7867900399992972
Energy: 0.6863732715282788
Energy: 0.7874161815977652
Energy: 0.6861536092760994
Energy: 0.7870385738417949
Energy: 0.6861536092760994
Energy: 0.7870775967832111
Energy: 0.6872505305715911
Energy: 0.8214093737183775
Energy: 0.6872505305715911
Energy: 0.8040437919991023
Energy: 0.6861997967472298
Energy: 0.8201578654245062
Energy: 0.6861997967481572
Energy: 0.8161350462611461
Energy: 0.6857086099301907
Energy: 0.7852987147280284
Energy: 0.6857086099311182
Energy: 0.8159748142799415
Energy: 0.6880137189315193
Energy: 0.7854129195794536
Energy: 0.6880137189305917
Energy: 0.8150902848473561
Energy: 0.6871580139828848
Energy: 0.8013965608510325
Energy: 0.6871580139828848
Energy: 0.7837790903589259
Energy: 0.6869480623106125
Energy: 0.8017542985180521
Energy: 0.6869480623106125
Energy: 0.7837625642331104
Energy: 0.6857293685920232
Energy: 0.8074208650130242
Energy: 0.6857293685920232
Energy: 0.7841645469609907
Energy: 0.6905153069252733
Energy: 0.7665606141425025
Energy: 0.6905153069252733
Energy: 0.7846663828492433
Energy: 0.6909642109891623
Energy: 0.773410629669147
Energy: 0.6909642109910173
Energy: 0.8011562117694354
Energy: 0.73318005664172
Energy: 0.7731079141265905
Energy: 0.73318005664172
Energy: 0.7621737177141077
Energy: 0.6984803747610434
Energy: 0.7666710602613981
Energy: 0.6984803747619709
Energy: 0.7488748593562168
Energy: 0.6994029344335936
Energy: 0.766509226298073
Energy: 0.6994029344335936
Energy: 0.7487774779196121
Energy: 0.7259281222897174
Energy: 0.7790579772553871
Energy: 0.7259281222906449
Energy: 0.7491704092249388
Energy: 0.714016738378376
Energy: 0.756856961787035
Energy: 0.714016738378376
Energy: 0.7485912107828293
Energy: 0.7155830466518446
Energy: 0.7667924006785679
Energy: 0.7155830466518446
Energy: 0.7549514480701927
Energy: 0.7160658267448877
Energy: 0.7491062426806657
Energy: 0.7160658267439602
Energy: 0.7220717234323366
Energy: 0.7294161440945593
Energy: 0.7382044837700382
Energy: 0.7294161440945593
Energy: 0.7487004394622238
Energy: 0.7309764181122974
Energy: 0.736544658897729
Energy: 0.7309764181122974
Energy: 0.7486016075565757
Energy: 0.7155276816284317
Energy: 0.7491972382351247
Energy: 0.7155276816284317
Energy: 0.7365959750172979
Energy: 0.7294291074594105
Energy: 0.7230734874708943
Energy: 0.729429107458483
Energy: 0.7366204426981415
Energy: 0.7157770668291406
Energy: 0.7366596407475691
Energy: 0.7157770668291406
Energy: 0.7383866433172236
Energy: 0.73065396574303
Energy: 0.7365203608936516
Energy: 0.73065396574303

minimum gb energy = 0.6857086099301907 eV
minimum distance =  2.29062145022378 Angstroms
sigma value = 113


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

Energy: 0.01504995082647995
Energy: 0.015660010246757252
Energy: 0.9095877771654526
Energy: 0.10472331620514722
Energy: 0.01589413399929983
Energy: 0.10539360855584438
Energy: 0.09175748828882427
Energy: 0.10539360855584438
Energy: 0.08910223887942983
Energy: 0.10520902810573594
Energy: 0.01572261396178928
Energy: 0.10520902810573594
Energy: 0.0889575044554174
Energy: 0.10531282534636593
Energy: 0.01694900000748078
Energy: 0.10531282534636593
Energy: 0.0903549160551781
Energy: 0.10459441417596485
Energy: 0.08969686207706618
Energy: 0.10459441417596485
Energy: 0.015565978858231189
Energy: 0.10503423706437687
Energy: 0.08895312481819491
Energy: 0.10503423706437687

minimum gb energy = 0.01504995082647995 eV
minimum distance =  2.44300187252096 Angstroms
sigma value = 1