Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.593729183077813
cohesive_energy=4.272647501189812
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016712991873542818
Energy: 0.017491074660744142
Energy: 0.30193606866291745
Energy: 0.017491074660744142
Energy: 0.017491074660744142
Energy: 0.9749811315846246
Energy: 0.017491074660744142
Energy: 0.9749811315846246
Energy: 0.30193606866291745
Energy: 0.017491074660744142
Energy: 0.016712991873542818
Energy: 0.017491074660744142
Energy: 0.017491074660744142
Energy: 0.9749811315846246
Energy: 0.017491074660744142
Energy: 0.9749811315846246

minimum gb energy = 0.016712991873542818 eV
minimum distance =  2.49304366564423 Angstroms
sigma value = 1


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

Energy: 1.1412979959347425
Energy: 1.1660651455659787
Energy: 1.1413600975372138
Energy: 1.1660651455659787
Energy: 1.0248221275954343
Energy: 1.0137847808608222
Energy: 1.030719782660927
Energy: 1.0137847808623617
Energy: 0.9961716396561672
Energy: 1.1465985090065
Energy: 1.0457434156280339
Energy: 1.1465985090072701
Energy: 0.9961384794821326
Energy: 1.0426075782933883
Energy: 1.0141244796249793
Energy: 1.0426075494259266
Energy: 0.9989436194015151
Energy: 1.111461250307417
Energy: 1.026671495257995
Energy: 1.1114612503081869
Energy: 1.0133385617354338
Energy: 1.006024545505298
Energy: 0.9950201252447091
Energy: 1.0060245454914434
Energy: 1.0287272539190013
Energy: 1.093599294428088
Energy: 1.012929905796922
Energy: 1.093599294428088
Energy: 0.9946162379132371
Energy: 1.116361650819593
Energy: 0.9804750673646171
Energy: 1.1163616508603877
Energy: 1.013456037679332
Energy: 1.0155643745360572
Energy: 1.004081750965307
Energy: 1.0155643745352876
Energy: 0.9935221767011198
Energy: 1.1451712981941569
Energy: 0.9825806165336908
Energy: 1.1451712981949265
Energy: 1.0149227353570307
Energy: 1.0605630322579254
Energy: 1.0137669161686438
Energy: 1.0605630322571555
Energy: 1.1001190874014621
Energy: 1.1157594665809638
Energy: 1.016685860890141
Energy: 1.1157594665801942
Energy: 1.0101731842153987
Energy: 1.0585634041302625
Energy: 1.0287878323300093
Energy: 1.0585634041318017
Energy: 1.0313770852850337
Energy: 1.163218128542842
Energy: 1.003311329574998
Energy: 1.1632181285436116
Energy: 1.0060541043399773
Energy: 1.116570434266694
Energy: 1.0126324466056975
Energy: 1.116570434266694
Energy: 1.0234884427102977
Energy: 1.0290199142624228
Energy: 1.0104751597688326
Energy: 1.0290199142701197
Energy: 1.0168171622620208
Energy: 1.1467915884236333
Energy: 0.997122723851001
Energy: 1.1467915884244027
Energy: 1.0306748210328351
Energy: 1.0577938983382702
Energy: 1.0261536074442625
Energy: 1.0577938983375004
Energy: 0.9698333498988521
Energy: 1.168232763772098
Energy: 1.0205867972011529
Energy: 1.1682327637713283
Energy: 1.0116948041998595
Energy: 1.0144128725382624
Energy: 1.0156320183274603
Energy: 1.0144128725351835
Energy: 0.9955727687557019
Energy: 1.14654509866338
Energy: 0.9823009488993054
Energy: 1.14654509866338
Energy: 1.0140811477000395
Energy: 1.023738368691353
Energy: 1.005651081266924
Energy: 1.023738368691353
Energy: 1.0050886583902199
Energy: 1.1111694849755245
Energy: 0.9963194421907755
Energy: 1.1111694849747547
Energy: 1.0031549940650621
Energy: 1.0947861296513008
Energy: 1.0125155699376762
Energy: 1.0947861296520704
Energy: 1.0132957541930157
Energy: 1.0060710667617079
Energy: 1.0286594882667142
Energy: 1.006071066766326
Energy: 1.0232830714388368
Energy: 1.110666709674204
Energy: 1.009877533703658
Energy: 1.1106667096734344
Energy: 0.9950362122520623
Energy: 1.018618878899541
Energy: 1.0129448075349772
Energy: 1.01861887890185
Energy: 0.9983765028841091
Energy: 1.1467474288436659
Energy: 1.1155754985899176
Energy: 1.1467474288428963
Energy: 1.0238055604606868
Energy: 1.4756539451824755
Energy: 1.0036384491697965
Energy: 1.4756539451824755
Energy: 1.1417570099962515
Energy: 1.1692255682150334
Energy: 0.9856301776121401
Energy: 1.1692255682150334
Energy: 1.0285827323252779
Energy: 1.0182207022543683
Energy: 1.0100697483692684
Energy: 1.018220702252829
Energy: 1.0080723949225512
Energy: 1.1491835976273848
Energy: 1.0156099450301856
Energy: 1.1491835976281544
Energy: 0.9992654305409812
Energy: 1.0230711611092398
Energy: 1.0171099277903624
Energy: 1.0230711611084702

minimum gb energy = 0.9698333498988521 eV
minimum distance =  2.31533305871469 Angstroms
sigma value = 1


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

Energy: 1.2092839000613553
Energy: 1.2578244802149692
Energy: 1.212065074277872
Energy: 1.2578244802140917
Energy: 1.0653888802120055
Energy: 1.5125011715202659
Energy: 1.0533403553175469
Energy: 1.5125011715202659
Energy: 1.0500495684291955
Energy: 1.2572676712437185
Energy: 1.0529542600378388
Energy: 1.2572676712420032
Energy: 1.0584591582877643
Energy: 1.0653332706726943
Energy: 1.0517180539382722
Energy: 1.0653332706893688
Energy: 1.058770856939372
Energy: 1.1806372508756258
Energy: 1.0466500055789645
Energy: 1.1806372509966954
Energy: 1.1871903520098979
Energy: 1.1783838358264327
Energy: 1.036251814244664
Energy: 1.1783838358264327
Energy: 1.0651511596924155
Energy: 1.065712806093447
Energy: 1.062776560226971
Energy: 1.0657128060916918
Energy: 1.0346711203365517
Energy: 1.3139400660411507
Energy: 1.0362525596266448
Energy: 1.313940066043744
Energy: 1.058961055404878
Energy: 1.07915316824533
Energy: 1.0532715861514137
Energy: 1.07915316824533
Energy: 1.0593393651074974
Energy: 1.3140107211027245
Energy: 1.0761545294916501
Energy: 1.3140107211044798
Energy: 1.0652735929720833
Energy: 1.234059415716581
Energy: 1.0678210834140103
Energy: 1.2340594157157034
Energy: 1.0477664469684609
Energy: 1.2416865292651322
Energy: 1.0537378976547405
Energy: 1.2416865292668875
Energy: 1.0784020217509307
Energy: 1.1803497413885773
Energy: 1.0463897323281166
Energy: 1.1803497413859445
Energy: 1.0780787587030636
Energy: 1.1792762306074598
Energy: 1.0647447813325892
Energy: 1.179276230604827
Energy: 1.0475002066931203
Energy: 1.2416249002815771
Energy: 1.0530700902592642
Energy: 1.2416249002815771
Energy: 1.0647033936255346
Energy: 1.2336117999427345
Energy: 1.0679920954811373
Energy: 1.2336117999436118
Energy: 1.058802451775408
Energy: 1.3140379762964427
Energy: 1.0033352667514324
Energy: 1.3140379762981982
Energy: 1.0589785970452064
Energy: 1.0783822088050203
Energy: 1.0531870759216702
Energy: 1.0783822088041426
Energy: 1.0347590795064199
Energy: 1.3138675540733833
Energy: 1.0358055190859998
Energy: 1.3138675540751388
Energy: 1.064697296062788
Energy: 1.065799037294466
Energy: 1.0518510942376165
Energy: 1.0657990372918333
Energy: 1.1871930304771103
Energy: 1.1783350853646792
Energy: 1.0547640809101066
Energy: 1.178335085362924
Energy: 1.0588567398495772
Energy: 1.1797387892957731
Energy: 1.0463251791240826
Energy: 1.1797387893001612
Energy: 1.0588611920033697
Energy: 1.0647549586595144
Energy: 1.0687407078399154
Energy: 1.0647549586577991
Energy: 1.0500484813959519
Energy: 1.257240662991063
Energy: 1.053563713166431
Energy: 1.2572406629919408
Energy: 1.0651927178466347
Energy: 1.5122209532527986
Energy: 1.053195981696848
Energy: 1.512220953251043
Energy: 1.2092839000604778
Energy: 1.2578244802149692
Energy: 1.1102203316492236
Energy: 1.2578244802140917
Energy: 1.065388880212883
Energy: 1.5125011715202659
Energy: 1.0533403553175469
Energy: 1.5125011715202659
Energy: 1.050049568428318
Energy: 1.2572676712445963
Energy: 1.0529542600369612
Energy: 1.2572676712428807
Energy: 1.0584591582851313
Energy: 1.0653332706525094
Energy: 1.0517180539382722
Energy: 1.065333270669184

minimum gb energy = 1.0033352667514324 eV
minimum distance =  2.27761594872163 Angstroms
sigma value = 25


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

Energy: 1.1822859426874692
Energy: 1.3199677064890425
Energy: 1.296084116546894
Energy: 1.3199677064890425
Energy: 1.1414258689232102
Energy: 1.1219611093926065
Energy: 1.1286321218441724
Energy: 1.1219611093834247
Energy: 1.0908270660612676
Energy: 1.318955122516319
Energy: 1.125747376512134
Energy: 1.318955122516319
Energy: 1.1092019729820022
Energy: 1.1461483129185868
Energy: 1.1263312860862928
Energy: 1.146148312917613
Energy: 1.1266256273659265
Energy: 1.2595538324185531
Energy: 1.1152413392128635
Energy: 1.2595538324185531
Energy: 1.2734842847071028
Energy: 1.3047431214087144
Energy: 1.1406985016279814
Energy: 1.3047431214087144
Energy: 1.1319782842608987
Energy: 1.132250056393454
Energy: 1.166358416103842
Energy: 1.132250056393454
Energy: 1.3122951059531456
Energy: 1.3213806236964676
Energy: 1.1216120457440426
Energy: 1.3213806236964676
Energy: 1.1668043070937575
Energy: 1.2255661964034676
Energy: 1.1421154283253505
Energy: 1.2255661964034676
Energy: 1.1276262021216337
Energy: 1.296537327574472
Energy: 1.0973130904269508
Energy: 1.296537327574472
Energy: 1.1137366102934427
Energy: 1.274119289813924
Energy: 1.1302511416142274
Energy: 1.2741192898108633
Energy: 1.1143296891518109
Energy: 1.2747539342945338
Energy: 1.1291400875386202
Energy: 1.2747539342945338
Energy: 1.1258032344816584
Energy: 1.2660574603069816
Energy: 1.0960193738351345
Energy: 1.266057460308002
Energy: 1.1678016099818316
Energy: 1.2085863636548344
Energy: 1.1403957143541201
Energy: 1.2085863636640164
Energy: 1.0643919888047055
Energy: 1.275583453307377
Energy: 1.119306454299969
Energy: 1.2755834533063566
Energy: 1.1282172668359856
Energy: 1.1323702425547995
Energy: 1.1273886900411156
Energy: 1.1323702425558198
Energy: 1.0818876647652125
Energy: 1.3214411775781598
Energy: 1.0576110811316177
Energy: 1.3214411775791801
Energy: 1.1267436654710146
Energy: 1.2300069484785254
Energy: 1.1108814986946183
Energy: 1.2300069484775051
Energy: 1.094177436971409
Energy: 1.1558356665995098
Energy: 1.1255176058105065
Energy: 1.1558356665984897
Energy: 1.1409238531108836
Energy: 1.2443099781128992
Energy: 1.1287662728099388
Energy: 1.244309978090455
Energy: 1.1465049359142336
Energy: 1.216159019209289
Energy: 1.1314270321805724
Energy: 1.216159019209289
Energy: 1.1768965212542328
Energy: 1.327700444292378
Energy: 1.1105079606266872
Energy: 1.3277004442933982
Energy: 1.1404505615077114
Energy: 1.3812413739423566
Energy: 1.1283204478206634
Energy: 1.3812413739454172
Energy: 1.0890389224053076
Energy: 1.3213865953746085
Energy: 1.1280669849672769
Energy: 1.3213865953746085
Energy: 1.1291067118831797
Energy: 1.147036243151186
Energy: 1.124960710629934
Energy: 1.1470362431267478

minimum gb energy = 1.0576110811316177 eV
minimum distance =  2.2840809573463 Angstroms
sigma value = 9


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

Energy: 1.2262472579201622
Energy: 1.2779199750753811
Energy: 1.3822718638556886
Energy: 1.2779199751447237
Energy: 1.2395736303759686
Energy: 1.2003212404488355
Energy: 1.1926766710205887
Energy: 1.2003212404488355
Energy: 1.150937820409828
Energy: 1.3012910069199006
Energy: 1.1765162955267285
Energy: 1.3012910069125987
Energy: 1.2238109321012671
Energy: 1.2576154277193037
Energy: 1.1855730694370625
Energy: 1.257615427714436
Energy: 1.3033192155013051
Energy: 1.2818882794796367
Energy: 1.2119175921863936
Energy: 1.281888279480854
Energy: 1.1084605275516315
Energy: 1.3589889054242672
Energy: 1.2077126346255884
Energy: 1.3589889054218331
Energy: 1.2244016779789935
Energy: 1.2007915335956931
Energy: 1.2005742028983573
Energy: 1.2007915335956931
Energy: 1.2005978449254042
Energy: 1.3585573526687527
Energy: 1.1611441477742632
Energy: 1.3585573526663188
Energy: 1.2240885142435445
Energy: 1.4048089364130163
Energy: 1.212720453759321
Energy: 1.404808936593052
Energy: 1.2139092458993912
Energy: 1.3580152150476392
Energy: 1.1855937867248068
Energy: 1.3580152150476392
Energy: 1.1689183440538986
Energy: 1.2960640348923467
Energy: 1.1763856166378621
Energy: 1.2960640348935635
Energy: 1.2237622012906657
Energy: 1.299978776576948
Energy: 1.1852574843951562
Energy: 1.2999787765720796
Energy: 1.107323784442151
Energy: 1.325976293928633
Energy: 1.0939693263786594
Energy: 1.3259762939335014
Energy: 1.2728198314133292
Energy: 1.2128423258563639
Energy: 1.1865247674984836
Energy: 1.2128423258551468
Energy: 1.1073317984535176
Energy: 1.3010199606719346
Energy: 1.298749807383606
Energy: 1.301019960751013
Energy: 1.2230614531717316
Energy: 1.2992966819679908
Energy: 1.1856569494707998
Energy: 1.2992966821249305
Energy: 1.1677244533760853
Energy: 1.29565355920013
Energy: 1.1763042248618645
Energy: 1.2956535591989127
Energy: 1.2138872268132577
Energy: 1.358052585531208
Energy: 1.1853562179903805
Energy: 1.358052585531208
Energy: 1.224487740759485
Energy: 1.404269690482074
Energy: 1.2131027151491536
Energy: 1.404269690482074
Energy: 1.2003984736259494
Energy: 1.3582888926560097
Energy: 1.1613236665381876
Energy: 1.3582888926560097
Energy: 1.224211660117344
Energy: 1.2008220619976344
Energy: 1.2015752505692594
Energy: 1.2008220619988517

minimum gb energy = 1.0939693263786594 eV
minimum distance =  2.35395097603263 Angstroms
sigma value = 25


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

Energy: 1.2021585403300852
Energy: 1.4263067681009813
Energy: 1.5093291593385363
Energy: 1.4263067681024864
Energy: 1.1659646397934753
Energy: 1.5699980848023949
Energy: 1.1381890965799066
Energy: 1.5699980848039001
Energy: 1.1375945405039791
Energy: 1.4981388271873364
Energy: 1.1367045833331315
Energy: 1.4981388271858314
Energy: 1.2029179469883642
Energy: 1.4100957322871681
Energy: 1.3402899227763543
Energy: 1.4100957322871681
Energy: 1.2676283412820697
Energy: 1.1655379803521688
Energy: 1.2371743506618558
Energy: 1.1655379803506636
Energy: 1.1416241723985858
Energy: 1.4958719815856791
Energy: 1.137222881874673
Energy: 1.4958719815856791
Energy: 1.1357830448062394
Energy: 1.293083525373099
Energy: 1.1399758572634635
Energy: 1.2930835253700887
Energy: 1.339936277188892
Energy: 1.4132108449993754
Energy: 1.2054953135360897
Energy: 1.413210861520788
Energy: 1.1361988888934582
Energy: 1.3543591965601165
Energy: 1.1666216399369718
Energy: 1.3543591965601165
Energy: 1.3477055622681942
Energy: 1.4700815452487948
Energy: 1.1391469651474586
Energy: 1.470081545251805
Energy: 1.1905009902562398
Energy: 1.4586302349431963
Energy: 1.3824372299183587
Energy: 1.4586302349431963
Energy: 1.2238750181209934
Energy: 1.273040159386743
Energy: 1.3481203898332383
Energy: 1.2730401593611569
Energy: 1.258290731731827
Energy: 1.45238447570225
Energy: 1.1361856429757962
Energy: 1.4523844757157958
Energy: 1.2221511699722056
Energy: 1.1540400970286864
Energy: 1.2019794792476268
Energy: 1.154041651702319
Energy: 1.2445304300035576
Energy: 1.4112968780822148
Energy: 1.3376433356222879
Energy: 1.4112968780822148
Energy: 1.165376677119999
Energy: 1.334133212166798
Energy: 1.1411284301052231
Energy: 1.3341329886882287
Energy: 1.13753676571824
Energy: 1.2528369272841051
Energy: 1.3479585142107613
Energy: 1.2528369272826

minimum gb energy = 1.1357830448062394 eV
minimum distance =  2.33824461027544 Angstroms
sigma value = 17


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

Energy: 1.338141779959595
Energy: 1.3846222070428378
Energy: 1.571939923619302
Energy: 1.3846222071681025
Energy: 1.3077115362908864
Energy: 1.3228625292219542
Energy: 1.1868399239228553
Energy: 1.322862529222807
Energy: 1.2626433959643184
Energy: 1.4389001863469075
Energy: 1.1875053609488841
Energy: 1.4389001863469075
Energy: 1.1889139099915917
Energy: 1.4538602086541068
Energy: 1.2779011082758205
Energy: 1.4538602086558114
Energy: 1.351237288541639
Energy: 1.44007675592131
Energy: 1.2499760020726605
Energy: 1.44007675592131
Energy: 1.216672512092283
Energy: 1.4753711286015414
Energy: 1.2512242194514354
Energy: 1.4753711286006892
Energy: 1.191870427183967
Energy: 1.346787025691853
Energy: 1.1890477268507615
Energy: 1.3467870256935575
Energy: 1.2423201821060468
Energy: 1.4954073760675348
Energy: 1.2145723713274048
Energy: 1.4954073760666824
Energy: 1.219389145136106
Energy: 1.3761721289311963
Energy: 1.334913244186526
Energy: 1.376172128932901
Energy: 1.4225542271511245
Energy: 1.3758288570731247
Energy: 1.1882484537353648
Energy: 1.3758288570731247
Energy: 1.1928501728508683
Energy: 1.3487579840899107
Energy: 1.2654207316729011
Energy: 1.3487579841520974
Energy: 1.2164776579761774
Energy: 1.3254590269077822
Energy: 1.2198455618027395
Energy: 1.3254590269077822
Energy: 1.3763543625890224
Energy: 1.3310249252483644
Energy: 1.326194331900165
Energy: 1.3310249165781358
Energy: 1.1946837211801404
Energy: 1.5375071091391332
Energy: 1.312904593270786
Energy: 1.5375071091416905
Energy: 1.306027953035937
Energy: 1.3300072258642146
Energy: 1.2188378818878922
Energy: 1.3300072258642146
Energy: 1.2644029714072984
Energy: 1.4955005975515816
Energy: 1.2434231759871237
Energy: 1.4955005975515816
Energy: 1.1884278923698754
Energy: 1.3677795479268224
Energy: 1.433556358819221
Energy: 1.3677795479285273
Energy: 1.3031893305383722
Energy: 1.3128412936427991
Energy: 1.2166831464573638
Energy: 1.3128412936427991
Energy: 1.2595057642778775
Energy: 1.3966036108219353
Energy: 1.280575029143016
Energy: 1.3966036108219353
Energy: 1.2623597424856468
Energy: 1.4030935258772739
Energy: 1.189777954894743
Energy: 1.403093525882388
Energy: 1.2614759114971368
Energy: 1.3055444326272576
Energy: 1.2617016910678311
Energy: 1.3055444087194141
Energy: 1.258634652918318
Energy: 1.3410629396072664
Energy: 1.418077163383877
Energy: 1.3410629395578655
Energy: 1.392513221024858
Energy: 1.326187561258519
Energy: 1.1864788127609458
Energy: 1.3261875765796307
Energy: 1.2838768849027804
Energy: 1.3968737379141227
Energy: 1.26386500353328
Energy: 1.3968737377616198
Energy: 1.3176208736261803
Energy: 1.4355517862196396
Energy: 1.2630602847860617
Energy: 1.4355517862094107
Energy: 1.3055392618154458
Energy: 1.3991527663945753
Energy: 1.1880550636277185
Energy: 1.3991527663937227
Energy: 1.2241224524347591
Energy: 1.3415429466999216
Energy: 1.4678329316513408
Energy: 1.3415429466999216
Energy: 1.2416991658033425
Energy: 1.4757710123233854
Energy: 1.2632961154710576
Energy: 1.4757710123233854
Energy: 1.4404695988633662
Energy: 1.379038599743097
Energy: 1.191837046070461
Energy: 1.379038599743097
Energy: 1.2147087442261126
Energy: 1.3951924047805582
Energy: 1.3762841980785196
Energy: 1.3951924047788533

minimum gb energy = 1.1864788127609458 eV
minimum distance =  2.2693672014752 Angstroms
sigma value = 53


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

Energy: 1.1590169111486406
Energy: 1.1588742253655215
Energy: 1.582998174194813
Energy: 1.1588742253635593
Energy: 1.3424357535965667
Energy: 1.2571275181676274
Energy: 1.2046199195115674
Energy: 1.2571275181676274
Energy: 1.1602831877900852
Energy: 1.3861783818814126
Energy: 1.2099260986845215
Energy: 1.3861783818853375
Energy: 1.1601934176497866
Energy: 1.3856232210954977
Energy: 1.209905709050532
Energy: 1.3856232210954977
Energy: 1.3421089685354493
Energy: 1.2571863041854934
Energy: 1.2046767971740135
Energy: 1.2571863041854934
Energy: 1.1590169111486406
Energy: 1.1588742253655215
Energy: 1.3320899863569193
Energy: 1.158874225367484
Energy: 1.3424357535965667
Energy: 1.2571275181617403
Energy: 1.2087006756503096
Energy: 1.2571275181656651
Energy: 1.1602831877900852
Energy: 1.386178381893187
Energy: 1.3722181753918012
Energy: 1.386178381893187
Energy: 1.1601934176497866
Energy: 1.3856232210954977
Energy: 1.2596705707134985
Energy: 1.3856232210954977
Energy: 1.3421089685354493
Energy: 1.2571863041835307
Energy: 1.2995880950383616
Energy: 1.2571863041854934
Energy: 1.1590169111486406
Energy: 1.1588742253635593
Energy: 1.3702627447323161
Energy: 1.1588742253635593
Energy: 1.3424357535965667
Energy: 1.2571275181676274
Energy: 1.2572752210177554
Energy: 1.2571275181676274
Energy: 1.1602831877900852
Energy: 1.3861783819127662
Energy: 1.3722181754114253
Energy: 1.3861783818892621

minimum gb energy = 1.1588742253635593 eV
minimum distance =  2.2866816116381 Angstroms
sigma value = 9


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

Energy: 1.262516974712125
Energy: 1.3990286343440492
Energy: 1.6054226130528704
Energy: 1.3990286343774592
Energy: 1.4412352336597771
Energy: 1.3076546210767381
Energy: 1.2391840986549756
Energy: 1.3076546210752855
Energy: 1.2280167232279333
Energy: 1.237182313641895
Energy: 1.2489274775291686
Energy: 1.2371823136404425
Energy: 1.2947617850303603
Energy: 1.4368431253011866
Energy: 1.2729388894129847
Energy: 1.4368431253011866
Energy: 1.4417983994133805
Energy: 1.3073576537242533
Energy: 1.2381281772964472
Energy: 1.3073576537228009
Energy: 1.2371283686654466
Energy: 1.2376939822023982
Energy: 1.2962289137623169
Energy: 1.2376939822009454
Energy: 1.4912010408161411
Energy: 1.5435734281464937
Energy: 1.277023702790648
Energy: 1.5435734281464937
Energy: 1.246092804046628
Energy: 1.5328559481028854
Energy: 1.3590522029208334
Energy: 1.5328559481014326
Energy: 1.2307320666048571
Energy: 1.454496046386754
Energy: 1.2454200445242074
Energy: 1.4544960463874803
Energy: 1.2291461774742467
Energy: 1.299107770025558
Energy: 1.2560727259601498
Energy: 1.299107770025558
Energy: 1.2482603458625323
Energy: 1.5241006112796036
Energy: 1.4490308251270172
Energy: 1.52410061128033
Energy: 1.4394806445075063
Energy: 1.397739904407448
Energy: 1.2335538929067993
Energy: 1.397739919702547
Energy: 1.230607315048223
Energy: 1.3196466671903473
Energy: 1.4026086002798765
Energy: 1.319646667387045
Energy: 1.3002895646777788
Energy: 1.527418528273872
Energy: 1.2687091032673221
Energy: 1.527418528273872
Energy: 1.2764029022765853
Energy: 1.3799711506344865
Energy: 1.3210604044039427
Energy: 1.3799711506323076
Energy: 1.2349656318113063
Energy: 1.4539119473941062
Energy: 1.2893926304329446
Energy: 1.4539119473941062
Energy: 1.3853647059697516
Energy: 1.3832517715619599
Energy: 1.2500593271018796
Energy: 1.383251771559781
Energy: 1.2513126299120807
Energy: 1.2976149018883727
Energy: 1.3940403157922099
Energy: 1.2976149018861938
Energy: 1.408097139676564
Energy: 1.3226964044151943
Energy: 1.239562048891241
Energy: 1.3226964044057525
Energy: 1.253699292317728
Energy: 1.3242634916371552
Energy: 1.3852645426517993
Energy: 1.3242634916378815
Energy: 1.3048943422864783
Energy: 1.5182993229085844
Energy: 1.297126569412866
Energy: 1.5182993229093107
Energy: 1.3418232243710895
Energy: 1.3564512782188987
Energy: 1.2290124102082671
Energy: 1.3564512782181726
Energy: 1.2460060481757251
Energy: 1.376846233226919
Energy: 1.2307694779112381
Energy: 1.376846233226919
Energy: 1.4928771200741073
Energy: 1.3829822336389874
Energy: 1.2452781114515998
Energy: 1.3829822338640776
Energy: 1.2545440634419218
Energy: 1.497381158803502
Energy: 1.5250198793885932
Energy: 1.497381158801323
Energy: 1.2574139108598432
Energy: 1.2373054488183854
Energy: 1.2280867787049599
Energy: 1.2373054488191115
Energy: 1.3288437139858744
Energy: 1.3844898096398135
Energy: 1.2938707312618596
Energy: 1.3844898096390872
Energy: 1.2754341723285652
Energy: 1.43718521617761
Energy: 1.2943999045312486
Energy: 1.43718521617761
Energy: 1.2754207997934561
Energy: 1.2458577591734186
Energy: 1.2269519167500098
Energy: 1.245857759174145
Energy: 1.2539681015220203
Energy: 1.4979183246995402
Energy: 1.529930905254396
Energy: 1.4979183246980876
Energy: 1.5546153742252993
Energy: 1.388367215498054
Energy: 1.2442711895332872
Energy: 1.3883672163830298
Energy: 1.2374436052999245
Energy: 1.3009688126620023
Energy: 1.2288820403892158
Energy: 1.3009688126627286
Energy: 1.2553895821931549
Energy: 1.3576826468020404
Energy: 1.2277930616017794
Energy: 1.3576826468027667
Energy: 1.3011627325540391
Energy: 1.5289715781550821
Energy: 1.294623799531184
Energy: 1.528971578166703
Energy: 1.2387186740843614
Energy: 1.435923587789938
Energy: 1.4922921048381115
Energy: 1.435923587789938

minimum gb energy = 1.2269519167500098 eV
minimum distance =  2.29815515126262 Angstroms
sigma value = 73


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

Energy: 1.2435753702081465
Energy: 1.2426155501696887
Energy: 1.7128061276911817
Energy: 1.2426155501685365
Energy: 1.435082854445669
Energy: 1.3958424447173534
Energy: 1.2754475076827225
Energy: 1.3958424447185056
Energy: 1.259741059075665
Energy: 1.4761193295085766
Energy: 1.2641892096064067
Energy: 1.476119329509729
Energy: 1.2197375833712627
Energy: 1.3721722258878155
Energy: 1.2820807661504279
Energy: 1.3721722258878155
Energy: 1.2173408332005828
Energy: 1.3320795867153263
Energy: 1.2427966379005528
Energy: 1.3320795867153263
Energy: 1.2616799951854958
Energy: 1.4662765253568093
Energy: 1.419726047872929
Energy: 1.4662765204096653
Energy: 1.515542328087651
Energy: 1.4650813818317623
Energy: 1.2714612112278507
Energy: 1.4650813818260007
Energy: 1.2194881153346477
Energy: 1.2428515080071696
Energy: 1.4596416318484393
Energy: 1.2428515080060172
Energy: 1.4364925163602453
Energy: 1.2432758069818406
Energy: 1.2429779858146472
Energy: 1.2432758069818406
Energy: 1.2788364939028842
Energy: 1.315270712291143
Energy: 1.2813712506989856
Energy: 1.315270712291143
Energy: 1.217288180027373
Energy: 1.4585561366036726
Energy: 1.4351045188808547
Energy: 1.4585561366048247
Energy: 1.4973772558094274
Energy: 1.3737469255532835
Energy: 1.2196699170661411
Energy: 1.3737469255532835
Energy: 1.2602495483034004
Energy: 1.3140945197265685
Energy: 1.3531650379611804
Energy: 1.3140945197265685
Energy: 1.527142160016092
Energy: 1.3535808455277396
Energy: 1.2616963311188103
Energy: 1.3535808339863238
Energy: 1.2375063770336818
Energy: 1.5314393461339475
Energy: 1.503538459453162
Energy: 1.5314393461351
Energy: 1.4336173647822625
Energy: 1.2431585511741186
Energy: 1.2197647738419886
Energy: 1.243158551172966
Energy: 1.2716177839556781
Energy: 1.463221626633638
Energy: 1.2602179492384982
Energy: 1.4632216266324858
Energy: 1.2415727986764684
Energy: 1.4749241205798256
Energy: 1.2600361645542186
Energy: 1.4749241205798256
Energy: 1.3412957424952086
Energy: 1.2430305315719792
Energy: 1.2167179217029684
Energy: 1.2430305315616081
Energy: 1.269688633065846
Energy: 1.5247778575114697
Energy: 1.5140808965808978
Energy: 1.5247778575045556
Energy: 1.7019893850505365
Energy: 1.64589272295334
Energy: 1.260101191124092
Energy: 1.64589272295334
Energy: 1.2820626114237084
Energy: 1.3532312048109771
Energy: 1.3342740410631766
Energy: 1.3532312048109771

minimum gb energy = 1.2167179217029684 eV
minimum distance =  2.30702941674957 Angstroms
sigma value = 7


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

Energy: 1.2695582010872601
Energy: 1.2683554175201468
Energy: 1.7437325519607263
Energy: 1.2683554175168876
Energy: 1.4556207887627268
Energy: 1.3424094356841565
Energy: 1.2671272978124084
Energy: 1.342409435685786
Energy: 1.2294873011174279
Energy: 1.2701121749422168
Energy: 1.2470875270961272
Energy: 1.270112174923513
Energy: 1.262876908192331
Energy: 1.3562857513267983
Energy: 1.2666544787718301
Energy: 1.3562857513259836
Energy: 1.2303569196845126
Energy: 1.325684087501344
Energy: 1.281396313645113
Energy: 1.325684087501344
Energy: 1.2339941536413046
Energy: 1.2761916803825402
Energy: 1.4167861869761031
Energy: 1.2761916803548727
Energy: 1.5112544607363183
Energy: 1.496793212584197
Energy: 1.2874937871583019
Energy: 1.4967932125850116
Energy: 1.2333432931467516
Energy: 1.2784743158935266
Energy: 1.4505462025960836
Energy: 1.2784743158951564
Energy: 1.3577143906518485
Energy: 1.3557427493840304
Energy: 1.259406183725481
Energy: 1.3557427493432885
Energy: 1.2341811702344587
Energy: 1.3675595427905134
Energy: 1.447513348288944
Energy: 1.3675595427896985
Energy: 1.2706436642188292
Energy: 1.4362137806966428
Energy: 1.2778642966260423
Energy: 1.4362137806933835
Energy: 1.2997808900988466
Energy: 1.3264187766913094
Energy: 1.2739898442222497
Energy: 1.3264187766913094
Energy: 1.2692927449661378
Energy: 1.435195917331363
Energy: 1.27772876239536
Energy: 1.4351959173329927
Energy: 1.2663840578936603
Energy: 1.2450388138058972
Energy: 1.2727789553037416
Energy: 1.2450388138042674
Energy: 1.2415253848462904
Energy: 1.4569200407010408
Energy: 1.516336973030294
Energy: 1.4569200407010408
Energy: 1.6864788277098184
Energy: 1.2465206742904134
Energy: 1.254813124768325
Energy: 1.2465206742904134
Energy: 1.2403144972586293
Energy: 1.327815396638927
Energy: 1.3011040053598901
Energy: 1.327815396638927
Energy: 1.2765252542324756
Energy: 1.2827469788980712
Energy: 1.2733076204072205
Energy: 1.2827469788907377
Energy: 1.2394270125051567
Energy: 1.4356193835807827
Energy: 1.2773948753138062
Energy: 1.4356193835799678
Energy: 1.2340229967766334
Energy: 1.3254553883525473
Energy: 1.2842787309548502
Energy: 1.3254553883525473
Energy: 1.2686020356330228
Energy: 1.361853400465535
Energy: 1.260243641302652
Energy: 1.361853400450868
Energy: 1.234675932199504
Energy: 1.4207044375582905
Energy: 1.474703633501829
Energy: 1.42070443755992
Energy: 1.4639174282300773
Energy: 1.3565903172425446
Energy: 1.2778546902565844
Energy: 1.3565903172433595
Energy: 1.2736392229893596
Energy: 1.269070843011253
Energy: 1.4197437023484645
Energy: 1.2690708430104378
Energy: 1.3966435662422974
Energy: 1.3259776513531314
Energy: 1.2872655666027382
Energy: 1.3259776513515016
Energy: 1.2631899537952809
Energy: 1.2698291015872802
Energy: 1.2903463104770037
Energy: 1.2698291015750578
Energy: 1.2302074448628824
Energy: 1.3692359120175537
Energy: 1.3550757783115295
Energy: 1.369235912015924
Energy: 1.2630037588651848
Energy: 1.3272413080774497
Energy: 1.2664681404423945
Energy: 1.3272413080774497
Energy: 1.2284433756694588
Energy: 1.2694321662286927
Energy: 1.35862968431157
Energy: 1.2694321662327668
Energy: 1.536357774425802
Energy: 1.300165139084769
Energy: 1.2666680195078677
Energy: 1.3001651390863986
Energy: 1.2283701093701278
Energy: 1.2721561655734355
Energy: 1.534843010189455
Energy: 1.2721561655766949

minimum gb energy = 1.2283701093701278 eV
minimum distance =  2.29513979941731 Angstroms
sigma value = 29


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

Energy: 1.2713867673463661
Energy: 1.164409966401657
Energy: 1.663741150645124
Energy: 1.164409966401657
Energy: 1.2092805330999532
Energy: 1.2555096333960007
Energy: 1.2555474906263404
Energy: 1.2555096300932602
Energy: 1.1752876286932707
Energy: 1.3087631798145214
Energy: 1.1779697817020813
Energy: 1.308763179813954
Energy: 1.256719132953189
Energy: 1.2478275649477935
Energy: 1.2212825522565702
Energy: 1.2478275943981847
Energy: 1.253049379350027
Energy: 1.2430347632270864
Energy: 1.1756654113192964
Energy: 1.2430347632270864
Energy: 1.1758503141889198
Energy: 1.308360227716921
Energy: 1.1758916609530545
Energy: 1.308360227716353
Energy: 1.175601508382643
Energy: 1.2432705077576491
Energy: 1.2545329860710641
Energy: 1.2432705077573651
Energy: 1.2199575028186567
Energy: 1.2435788131480638
Energy: 1.2565259791860661
Energy: 1.243578850351776
Energy: 1.1778507569448264
Energy: 1.3091939393968428
Energy: 1.18572504844428
Energy: 1.3091939393970948

minimum gb energy = 1.164409966401657 eV
minimum distance =  2.31338655003124 Angstroms
sigma value = 5


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

Energy: 1.1563429511501255
Energy: 1.1694513925631569
Energy: 1.6690398229431684
Energy: 1.169451392562387
Energy: 1.3524071836929685
Energy: 1.621702799329387
Energy: 1.098322320005478
Energy: 1.6217027993286173
Energy: 1.106479347776859
Energy: 1.1548347856529066
Energy: 1.3699792818143937
Energy: 1.154834785662913
Energy: 1.0887523804532666
Energy: 1.3620038679568174
Energy: 1.1198722756658408
Energy: 1.362003867958357
Energy: 1.1293194299415625
Energy: 1.2152531531819881
Energy: 1.4051489594580457
Energy: 1.2152531531881459
Energy: 1.13996801415924
Energy: 1.174070361664771
Energy: 1.098114263533874
Energy: 1.174070361657074
Energy: 1.1061546638700517
Energy: 1.2200180419483961
Energy: 1.114784728737651
Energy: 1.2200180419491657
Energy: 1.1045667648493653
Energy: 1.4131551618901201
Energy: 1.1087874684445347
Energy: 1.4131551618893505
Energy: 1.1292234304633793
Energy: 1.2193697794430265
Energy: 1.0959837470032343
Energy: 1.2193697794430265
Energy: 1.1262675803451716
Energy: 1.2208082167439125
Energy: 1.0969730032385954
Energy: 1.2208082167439125
Energy: 1.1211746452688758
Energy: 1.6896035127766391
Energy: 1.1068990299406385
Energy: 1.6896035127750992
Energy: 1.1081165410043299
Energy: 1.234364393452926
Energy: 1.1770135673813074
Energy: 1.2343643934513864
Energy: 1.1402129849745168
Energy: 1.1733501681796301
Energy: 1.1724451106055742
Energy: 1.1733501681803997
Energy: 1.130311918680695
Energy: 1.170325667784765
Energy: 1.488938019221802
Energy: 1.170325667784765
Energy: 1.269630042135118
Energy: 1.3623959055510602
Energy: 1.1069347243803282
Energy: 1.3623959055495207
Energy: 1.1157272814403874
Energy: 1.1524091092463278
Energy: 1.110559981870548
Energy: 1.1524091092455582
Energy: 1.355199013816834
Energy: 1.3866370658430023
Energy: 1.0973082526263942
Energy: 1.3866370658437719
Energy: 1.1301819732777596
Energy: 1.173130421273076
Energy: 1.2345192096639588
Energy: 1.1731304212623
Energy: 1.2961293607976034
Energy: 1.2227000993607915
Energy: 1.101772451772103
Energy: 1.2227000993607915
Energy: 1.1073619160488635
Energy: 1.4712520357754613
Energy: 1.1470906511580363
Energy: 1.4712520357746919
Energy: 1.093553510075867
Energy: 1.4085119098626264
Energy: 1.1231010338239964
Energy: 1.4085119098595476
Energy: 1.129964045464158
Energy: 1.214961397379518
Energy: 1.1340780707530944
Energy: 1.2149613973802875
Energy: 1.1012365401555007
Energy: 1.4109128232124488
Energy: 1.0926204631239393
Energy: 1.4109128232124488
Energy: 1.1741118911405348
Energy: 1.4094293740600017
Energy: 1.1069726362676806
Energy: 1.4094293741061144
Energy: 1.1782373122058731
Energy: 1.1617254451670376
Energy: 1.1101271694710229
Energy: 1.1617254451639585
Energy: 1.1509950140134133
Energy: 1.1709623399729672
Energy: 1.1295427708523513
Energy: 1.170962339973737
Energy: 1.101099512224514
Energy: 1.194230555813882
Energy: 1.3641624550011682
Energy: 1.1942305558277369
Energy: 1.1425966129998533
Energy: 1.6000402186075946
Energy: 1.1157305262516723
Energy: 1.6000402186083644
Energy: 1.1071938312212073
Energy: 1.6381235272887755
Energy: 1.6050009974168271
Energy: 1.6381235272887755
Energy: 1.2888859636551449
Energy: 1.178299542904707
Energy: 1.1301617126846395
Energy: 1.1782995429262588
Energy: 1.0948078720528078
Energy: 1.1346934059581233
Energy: 1.323503228048684
Energy: 1.1346934059573537
Energy: 1.3546252618563899
Energy: 1.1775115729046495
Energy: 1.1095876345142512
Energy: 1.177511586834011
Energy: 1.1174154658158308
Energy: 1.5988642887681404
Energy: 1.0790110345500057
Energy: 1.5988642887689097

minimum gb energy = 1.0790110345500057 eV
minimum distance =  2.26378302637468 Angstroms
sigma value = 1


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

Energy: 1.1024374632250598
Energy: 1.1017530010427259
Energy: 1.625273971692483
Energy: 1.1017530010427259
Energy: 1.4057168313423511
Energy: 1.1244708333829287
Energy: 1.0583409674398345
Energy: 1.1244708333829287
Energy: 1.015098346278521
Energy: 1.1022366022797496
Energy: 1.2794203801675093
Energy: 1.1022366022808139
Energy: 1.331145477758677
Energy: 1.1622766469232217
Energy: 1.0529667517759855
Energy: 1.1622766469200294
Energy: 1.018296665554068
Energy: 1.2114635468463304
Energy: 1.390728677717905
Energy: 1.2114635468452661
Energy: 1.0211669555500187
Energy: 1.1037649646883099
Energy: 1.053077370143034
Energy: 1.1037649646829888
Energy: 1.0178234719524446
Energy: 1.2114805033077232
Energy: 1.0930460114733072
Energy: 1.2114805033077232
Energy: 1.0182546070717213
Energy: 1.102519792604944
Energy: 1.0741682014488163
Energy: 1.102519792734734
Energy: 1.1027468457483518
Energy: 1.1028182281636751
Energy: 1.0948885485990638
Energy: 1.1028182281636751
Energy: 1.1031925889733474
Energy: 1.1025992392741575
Energy: 1.0952967133049691
Energy: 1.1025992392741575
Energy: 1.0183829377912674
Energy: 1.102190580008063
Energy: 1.0739266932071352
Energy: 1.1021905800059344
Energy: 1.01760359146242
Energy: 1.2117559221233873
Energy: 1.0849870892046103
Energy: 1.2117559221233873
Energy: 1.0209679855931002
Energy: 1.103367572002262
Energy: 1.0529038045264951
Energy: 1.103367571895885
Energy: 1.0185471550446719
Energy: 1.2112375267285365
Energy: 1.3887216917647665
Energy: 1.2112375267274722
Energy: 1.331266939792113
Energy: 1.1622441061872775
Energy: 1.0526270474627084
Energy: 1.1622441061872775
Energy: 1.015031186850646
Energy: 1.1022693860400912
Energy: 1.2788195428194604
Energy: 1.1022693860422197
Energy: 1.4056862164856347
Energy: 1.124633513598966
Energy: 1.0587378373341163
Energy: 1.1246335135872596
Energy: 1.1024374632250598
Energy: 1.1017530010427259
Energy: 1.347503315388445
Energy: 1.10175300104379
Energy: 1.4057168313434152
Energy: 1.1244708333818645
Energy: 1.0583409674398345
Energy: 1.1244708333829287
Energy: 1.015098346278521
Energy: 1.1022366022797496
Energy: 1.6125436395677073
Energy: 1.1022366022808139
Energy: 1.3311454777597413
Energy: 1.1622766469232217
Energy: 1.0529667517759855
Energy: 1.1622766469221577
Energy: 1.018296665554068
Energy: 1.2114635468473947
Energy: 1.3907286777168408
Energy: 1.2114635468452661
Energy: 1.0211669555489542
Energy: 1.1037649646883099
Energy: 1.053077370143034
Energy: 1.1037649647202374
Energy: 1.0178234719524446
Energy: 1.2114805033066587
Energy: 1.0930460114743712
Energy: 1.2114805033066587

minimum gb energy = 1.015031186850646 eV
minimum distance =  2.3016969411611 Angstroms
sigma value = 17


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

Energy: 1.0841208765822872
Energy: 1.0819021377827232
Energy: 1.656117542034104
Energy: 1.0819021377814075
Energy: 1.2914271585191857
Energy: 1.2763929165318342
Energy: 1.0471346388448102
Energy: 1.2763929165331498
Energy: 1.0358614748269213
Energy: 1.0640526436462345
Energy: 1.3607201098349284
Energy: 1.0640526436462345
Energy: 1.257802817796041
Energy: 1.2380510704776673
Energy: 1.027422538001292
Energy: 1.2380510704763517
Energy: 1.0213597868729383
Energy: 1.149611144039803
Energy: 1.4256267195629795
Energy: 1.1496111440424341
Energy: 1.0062012442824195
Energy: 1.5128166254121544
Energy: 1.049528334718749
Energy: 1.5128166254128124
Energy: 1.0488494709356595
Energy: 1.12450181145433
Energy: 1.147575442659375
Energy: 1.12450181145433
Energy: 1.013142984536643
Energy: 1.2935457044463172
Energy: 1.0232399105736265
Energy: 1.293545704446975
Energy: 1.0773898542047555
Energy: 1.3317717880048516
Energy: 1.081004679829033
Energy: 1.3317717880055095
Energy: 1.0785909673651703
Energy: 1.2965422751707003
Energy: 1.048221573316774
Energy: 1.2965422751707003
Energy: 1.0353018787017358
Energy: 1.4561541722811409
Energy: 1.0131059933200033
Energy: 1.4561541722811409
Energy: 1.0375930964764908
Energy: 1.118407205491826
Energy: 1.0215619311838868
Energy: 1.1184072054911682
Energy: 1.007929108274052
Energy: 1.4711299290204634
Energy: 1.026748081265094
Energy: 1.4711299290198054
Energy: 1.0442034011775754
Energy: 1.148092631542996
Energy: 1.0838124822353512
Energy: 1.1480926315410225
Energy: 1.0141141516480656
Energy: 1.2982964921211737
Energy: 1.0930985519731313
Energy: 1.2982964921211737
Energy: 1.034805999903641
Energy: 1.2984046323460745
Energy: 1.415740455757865
Energy: 1.2984046323447591
Energy: 1.2524302865109305
Energy: 1.2978041884196243
Energy: 1.037425541790561
Energy: 1.2978041884222555
Energy: 1.0268860140498335
Energy: 1.091249308509246
Energy: 1.0309289906838466
Energy: 1.0912493085118773
Energy: 1.2639217600415025
Energy: 1.3083961480349025
Energy: 1.049668276620925
Energy: 1.3083961480349025
Energy: 1.048810403706247
Energy: 1.0621069070934157
Energy: 1.2102537286149802
Energy: 1.0621069070927578
Energy: 1.4248529951965594
Energy: 1.057301400122684
Energy: 1.0378860060131536
Energy: 1.057301400118737
Energy: 1.025562956291583
Energy: 1.3209626157359717
Energy: 1.4238629640684848
Energy: 1.3209626157372873
Energy: 1.2137236029954819
Energy: 1.2573254232513438
Energy: 1.0504523453013583
Energy: 1.2573254232506859
Energy: 1.035991314294946
Energy: 1.1276341099556693
Energy: 1.2958326447681403
Energy: 1.1276341099543536
Energy: 1.0456941548875136
Energy: 1.0986431139298594
Energy: 1.0252172094331553
Energy: 1.0986431138976873
Energy: 1.0271370815988434
Energy: 1.1511952941042523
Energy: 1.0378135378820794
Energy: 1.1511952941009633
Energy: 1.2663508387901614
Energy: 1.4754758567060533
Energy: 1.0465805461355426
Energy: 1.475475856706711
Energy: 1.0964498137370888
Energy: 1.3108568918041659
Energy: 1.0231995791456434
Energy: 1.3108568918054815
Energy: 1.0874271988435495
Energy: 1.1478841223007918
Energy: 1.0335984685380086
Energy: 1.1478841223007918
Energy: 1.0255838906415136
Energy: 1.4726334788071342
Energy: 1.050259979271805
Energy: 1.4726334788058186
Energy: 1.039891293343175
Energy: 1.1483271964371444
Energy: 1.0567706996868844
Energy: 1.1483271964364865
Energy: 1.0124968944923882
Energy: 1.4545742064486813
Energy: 1.0313835943801826
Energy: 1.4545742064473657
Energy: 1.0476747662258223
Energy: 1.2977670527707361
Energy: 1.2961161377763215
Energy: 1.2977670527674472
Energy: 1.0889315353609064
Energy: 1.33228031119713
Energy: 1.0518597532223173
Energy: 1.332280311196472
Energy: 1.031006287226393
Energy: 1.0867511970564874
Energy: 1.0651212062335245
Energy: 1.0867511970439894
Energy: 1.141267513822402
Energy: 1.1268404397086582
Energy: 1.0468525033902116
Energy: 1.1268404397073426
Energy: 1.0503373784304149
Energy: 1.4533471861445473
Energy: 1.0084663002045597
Energy: 1.4533471861445473
Energy: 1.2424790839039734
Energy: 1.1523204657713109
Energy: 1.0290722321941141
Energy: 1.1523204657686794

minimum gb energy = 1.0062012442824195 eV
minimum distance =  2.28975489176519 Angstroms
sigma value = 89


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

Energy: 0.9308028993865669
Energy: 0.9306413027088614
Energy: 1.5557989187461414
Energy: 0.9306413027088614
Energy: 0.9346930369640774
Energy: 0.9793683429545406
Energy: 0.9472501944043312
Energy: 0.9793683429562617
Energy: 0.945091314148855
Energy: 1.13581557755131
Energy: 1.7412552776459618
Energy: 1.135815577549589
Energy: 1.4030605748659213
Energy: 0.9795700749632341
Energy: 0.9473172760655892
Energy: 0.9795700749632341
Energy: 0.9315567320986059
Energy: 1.024650952470184
Energy: 0.9509169364421047
Energy: 1.024650952470184
Energy: 0.9315280320056526
Energy: 0.931422799465815
Energy: 0.9351991499867294
Energy: 0.931422799465815
Energy: 0.945293393000712
Energy: 1.1367260336858398
Energy: 0.9455689635900154
Energy: 1.1367260336858398
Energy: 0.9153119074138404
Energy: 1.1319360188432033
Energy: 0.9475959722072634
Energy: 1.1319360188517698
Energy: 0.9322821298902639
Energy: 1.0257718230216202
Energy: 0.9290344607953744
Energy: 1.025771823019899
Energy: 0.979527075980398
Energy: 1.0215621446006093
Energy: 0.9348788385361798
Energy: 1.0215621451390862
Energy: 0.9302939766934333
Energy: 0.9797654243474878
Energy: 0.9445097090402554
Energy: 0.9797654243474878
Energy: 0.9314977388865919
Energy: 1.1324557088916234
Energy: 0.9476783373471074
Energy: 1.1324557088899023
Energy: 0.9323887204363354
Energy: 0.9326649817959923
Energy: 0.9147480532733531
Energy: 0.9326649817959923
Energy: 0.9358739257308099
Energy: 1.0222057470970962
Energy: 0.9358297296778098
Energy: 1.0222057470970962
Energy: 0.9115577051882725
Energy: 0.9324092961485988
Energy: 0.9324641157762228
Energy: 0.9324092961417143

minimum gb energy = 0.9115577051882725 eV
minimum distance =  2.31780639430566 Angstroms
sigma value = 13


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

Energy: 0.9351862742499839
Energy: 0.8861064650687447
Energy: 1.584294856307405
Energy: 0.8861064650687447
Energy: 1.1779619571411928
Energy: 0.9145578027028808
Energy: 0.8745691967929848
Energy: 0.9145578027036021
Energy: 0.8869757516975542
Energy: 1.104862215625503
Energy: 1.0857465946639606
Energy: 1.104862215623339
Energy: 1.1048661890319855
Energy: 0.9146903914463389
Energy: 0.869107134404003
Energy: 0.914690391449946
Energy: 0.8986441681582934
Energy: 1.105111707429959
Energy: 0.954618229483167
Energy: 1.10511170745665
Energy: 1.0799866411233825
Energy: 0.915592933330023
Energy: 0.905789004404041
Energy: 0.9155929333285803
Energy: 0.8949083826005673
Energy: 0.9596032714849331
Energy: 1.5180356758799827
Energy: 0.9596032714820476
Energy: 0.8681276694834067
Energy: 1.1300691772070368
Energy: 0.9058360504517312
Energy: 1.1300691772063154
Energy: 0.8987023578590126
Energy: 0.9589426376657108
Energy: 1.2999224921626222
Energy: 0.9589426376657108
Energy: 1.0791731789978831
Energy: 1.1315505582394556
Energy: 0.8691451982460845
Energy: 1.131550559608056
Energy: 0.8952147183883197
Energy: 0.9854711111344765
Energy: 0.9050596818331966
Energy: 0.9854711111337551
Energy: 1.3331743437156336
Energy: 0.98349876921938
Energy: 0.8765066954130318
Energy: 0.9834987692201014
Energy: 0.9458449124115227
Energy: 0.9089014604457987
Energy: 0.9067829352992562
Energy: 0.9089014604465201
Energy: 1.3856862477754075
Energy: 0.983804094654382
Energy: 0.8780655014571295
Energy: 0.983804094652218
Energy: 0.8931933041100769
Energy: 0.8852158723051274
Energy: 0.8751233960272226
Energy: 0.8852158722878142
Energy: 0.9215429050715502
Energy: 0.9840926112679229
Energy: 0.8798314411388539
Energy: 0.9840926112657588
Energy: 0.9120126690996807
Energy: 0.8847751961260555
Energy: 0.8741913529962763
Energy: 0.8847751961274983
Energy: 0.8936477424131074
Energy: 0.9542976396525458
Energy: 0.9156519359845192
Energy: 0.95429763965471
Energy: 0.9117588784797194
Energy: 0.9103736476427912
Energy: 0.916640218501492
Energy: 0.9103736476435126
Energy: 0.9123964583192222
Energy: 0.9120271177906817
Energy: 0.9181667813199661
Energy: 0.9120271177899603
Energy: 0.8946492333103943
Energy: 0.9543207493374836
Energy: 0.9167094063435176
Energy: 0.9543207493403691
Energy: 0.91221484917404
Energy: 0.884799479182976
Energy: 0.8742116169570201
Energy: 0.8847994793250235
Energy: 0.9206331622875368
Energy: 0.984296762746307
Energy: 0.8799409900008985
Energy: 0.9842967627434213
Energy: 0.893112007623801
Energy: 0.8852702571433626
Energy: 0.8748713940443128
Energy: 0.8852702571455267
Energy: 1.346031296218206
Energy: 0.9837063114581474
Energy: 0.8664463058651415
Energy: 0.9837063114530976
Energy: 0.9459097671577873
Energy: 0.9092327681128943
Energy: 0.9066652101550814
Energy: 0.9092327681150584
Energy: 1.3320719626703317
Energy: 0.9839317078507325
Energy: 0.8667317417808217
Energy: 0.9839317078406987
Energy: 0.8962517884129085
Energy: 0.9848269125223295
Energy: 0.9051906070553215
Energy: 0.9848269125223295
Energy: 1.079249937029719
Energy: 1.1292090593314612
Energy: 0.8694984955423856
Energy: 1.1292090593300186
Energy: 0.8976762646855355
Energy: 0.9586564753247807
Energy: 1.299878222060129
Energy: 0.9586564753247807
Energy: 0.8679235125630845
Energy: 1.1292041813776934
Energy: 0.9056812836111786
Energy: 1.1292041813935638
Energy: 0.8990583931567301
Energy: 0.9593443112819913
Energy: 1.4198620650406175
Energy: 0.9593443112870411
Energy: 1.0627405041878972
Energy: 0.915394255296634
Energy: 0.9054480969747529
Energy: 0.9153942552959126
Energy: 0.8937309307253025
Energy: 1.103998703007101
Energy: 0.9495607660092894
Energy: 1.1039987030208072
Energy: 1.1013669798739165
Energy: 0.916231204213489
Energy: 0.8692457885880441
Energy: 0.9162312042163746

minimum gb energy = 0.8664463058651415 eV
minimum distance =  2.32447076434287 Angstroms
sigma value = 37


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

Energy: 1.0641275555288703
Energy: 0.8881644196840432
Energy: 1.5155790897863295
Energy: 0.8881644196828021
Energy: 1.0736491139961941
Energy: 0.8538125442714758
Energy: 0.8093942485858758
Energy: 0.8538125442714758
Energy: 1.0005124244277162
Energy: 1.1983240383655964
Energy: 1.1680827319256744
Energy: 1.1983240383643552
Energy: 0.9965224742721884
Energy: 0.8544440653346868
Energy: 0.8168368356345088
Energy: 0.8544440653346868
Energy: 0.814985220266511
Energy: 0.8534740661917417
Energy: 1.0393169228105075
Energy: 0.8534740661917417
Energy: 0.8230106301288992
Energy: 0.8540343584365221
Energy: 1.0028964575568142
Energy: 0.8540343584365221
Energy: 0.7974634064635773
Energy: 0.9209069468758823
Energy: 1.4102104855152422
Energy: 0.9209069468932579
Energy: 0.7903670058105593
Energy: 0.8546797102909257
Energy: 0.8572312804699203
Energy: 0.8546797102921668
Energy: 0.8102192789786261
Energy: 0.8535101886731452
Energy: 1.3999449302042912
Energy: 0.8535101886731452
Energy: 1.1681242200701105
Energy: 1.1899409887026442
Energy: 1.002579617518189
Energy: 1.1899409887038852
Energy: 0.8145698172924328
Energy: 0.9434856214138951
Energy: 1.018828890904024
Energy: 0.9434856214138951
Energy: 1.1897880069158133
Energy: 0.8536795387736272
Energy: 0.8178843760046501
Energy: 0.8536795387736272
Energy: 1.0006580308634
Energy: 0.8536555865891927
Energy: 0.8220156666108133
Energy: 0.8536555865891927
Energy: 1.4044242419344364
Energy: 0.9053026221747129
Energy: 0.7964287543121024
Energy: 0.905302622177195
Energy: 1.0628402305929305
Energy: 0.9058770351240153
Energy: 0.8089681646391762
Energy: 0.9058770351227741
Energy: 1.0661788571998811
Energy: 0.8537564707131841
Energy: 0.8091783904118843
Energy: 0.8537564707131841
Energy: 1.0005255648700269
Energy: 0.9523825111245144
Energy: 0.7784057600744289
Energy: 0.9523825111245144
Energy: 1.0081113059571158
Energy: 0.9450273389922113
Energy: 0.8144574312076964
Energy: 0.9450273389934524
Energy: 0.8145785114666753
Energy: 0.8546301199204932
Energy: 0.8113814083500458
Energy: 0.8546301199204932
Energy: 0.8112146402786956
Energy: 0.8542275214453622
Energy: 1.0004166228852254
Energy: 0.8542275214441212

minimum gb energy = 0.7784057600744289 eV
minimum distance =  2.32489873789845 Angstroms
sigma value = 25


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

Energy: 0.796872896287606
Energy: 0.7432366175622367
Energy: 1.4549891139608016
Energy: 0.7432366174595507
Energy: 1.5385181940371506
Energy: 0.7669594997588804
Energy: 0.7450744553157281
Energy: 0.7669594997608188
Energy: 0.7384560835824837
Energy: 0.738213870639565
Energy: 1.4127495363887344
Energy: 0.738213870639565
Energy: 1.0147456950673641
Energy: 0.7670422387029138
Energy: 0.7453097750709735
Energy: 0.7670422387029138
Energy: 0.7446105026922014
Energy: 0.767303642229584
Energy: 0.7520968125243087
Energy: 0.767303642229584
Energy: 0.7084025602613909
Energy: 0.7666226815140065
Energy: 0.7448756714250272
Energy: 0.7666226815023768
Energy: 0.7455550282254628
Energy: 0.7388475837212497
Energy: 0.7878517442253697
Energy: 0.7388475837212497
Energy: 0.9732093993508254
Energy: 0.7975258518105621
Energy: 0.7399385623748299
Energy: 0.797525851752457
Energy: 0.7447770494747725
Energy: 0.7667152620826281
Energy: 1.4250382647576996
Energy: 0.7667152621232884
Energy: 0.70912660629019
Energy: 0.7391587012249798
Energy: 0.7982745361512082
Energy: 0.7391587012249798
Energy: 0.7455855668257675
Energy: 0.7387074825554435
Energy: 1.3429204709956124
Energy: 0.7387074825564127
Energy: 1.0108295505127098
Energy: 1.0592492292414608
Energy: 0.7398910182067422
Energy: 1.0592492292414608
Energy: 0.7438936296894385
Energy: 0.7665595769915928
Energy: 1.1868246179422999
Energy: 0.7665595769915928
Energy: 1.0275190820156401
Energy: 0.738387464714942
Energy: 0.7445980258677304
Energy: 0.738387464714942
Energy: 0.7454219019705666
Energy: 0.7389499134092393
Energy: 0.7094596467374312
Energy: 0.7389499134102085
Energy: 1.018487292709802
Energy: 0.87322902681036
Energy: 0.7440779162420633
Energy: 0.87322902681036
Energy: 0.7450073839207979
Energy: 0.7977904918028947
Energy: 0.7016775800103725
Energy: 0.7977904918028947
Energy: 1.071685091767626
Energy: 0.7668596754341129
Energy: 0.7451005182926038
Energy: 0.7668596754321746
Energy: 0.803811870287821
Energy: 0.7383624062367891
Energy: 0.7094676803934974
Energy: 0.7383624062387273
Energy: 1.3323207381450974
Energy: 0.8734295469425246
Energy: 0.744297605827311
Energy: 0.8734295469502777
Energy: 0.7448191434086273
Energy: 1.0605026392962829
Energy: 0.7050603520356271
Energy: 1.060502639317604
Energy: 0.7436762568768845
Energy: 0.7676424772633068
Energy: 0.7459025791950693
Energy: 0.7676424772623375
Energy: 0.745440697209605
Energy: 1.0395886184312864
Energy: 1.0258504509489719
Energy: 1.0395886184332248
Energy: 0.709124141742992
Energy: 0.8754114493312523
Energy: 0.7437163920579699
Energy: 0.8754114493293141
Energy: 0.7439417398598578
Energy: 0.8727478957575375
Energy: 1.0252024501314227
Energy: 0.8727478957585065
Energy: 0.7083184052924005
Energy: 0.7972767413187893
Energy: 0.7459699894369847
Energy: 0.7972767413187893

minimum gb energy = 0.7016775800103725 eV
minimum distance =  2.32478466016923 Angstroms
sigma value = 41


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

Energy: 1.1541773631847043
Energy: 0.6985143601720349
Energy: 1.4231919124219692
Energy: 0.6985143601712404
Energy: 1.5425278509933877
Energy: 0.6798841435058547
Energy: 0.6653551702525331
Energy: 0.6798841435058547
Energy: 0.6963755487867628
Energy: 0.6638090478585986
Energy: 1.3164761768159172
Energy: 0.6638090478546259
Energy: 1.1632531824327241
Energy: 0.6790106099128203
Energy: 0.6655616866167974
Energy: 0.6790106099159984
Energy: 0.6612871495180206
Energy: 0.7196879607010603
Energy: 0.6809656266005637
Energy: 0.7196879611775706
Energy: 0.9025199189536024
Energy: 0.6787450003959238
Energy: 0.6655159989704557
Energy: 0.6787450002537725
Energy: 0.6645489602118044
Energy: 0.6781791856563842
Energy: 0.7041095664040132
Energy: 0.6781791856579733
Energy: 0.6452196289718876
Energy: 0.697339066960673
Energy: 0.6619536260136989
Energy: 0.6973390669622621
Energy: 0.6680772586578252
Energy: 0.7007287545938994
Energy: 1.0637646563478829
Energy: 0.7007287552737412
Energy: 0.642662869555586
Energy: 0.6619630139779805
Energy: 0.696956805976397
Energy: 0.6619630139906933
Energy: 0.664645837260878
Energy: 0.9093874914766912
Energy: 1.3502172872399862
Energy: 0.9093874916474463
Energy: 0.6446811555207231
Energy: 0.6970368448936166
Energy: 1.1554645291817487
Energy: 0.6970368452462502
Energy: 0.668424714812732
Energy: 0.6969907412548763
Energy: 1.4634475435907768
Energy: 0.696990741621017
Energy: 0.8991962724456712
Energy: 0.7629828093919897
Energy: 0.696985640185201
Energy: 0.7629828093951679
Energy: 0.6646046964960042
Energy: 0.6797712982553208
Energy: 1.1533306507976142
Energy: 0.6797712982545262
Energy: 0.9156876037261151
Energy: 0.9184542600167308
Energy: 0.6618743928554371
Energy: 0.9184542600159362
Energy: 0.668048830467206
Energy: 0.6962827724934906
Energy: 1.0311076115813655
Energy: 0.6962827726467656
Energy: 0.912470295937444
Energy: 0.7629923432113505
Energy: 0.66526562835846
Energy: 0.7629923432097614
Energy: 0.6645966081520392
Energy: 0.6988373711832273
Energy: 0.6449306961834738
Energy: 0.6988373711824328
Energy: 0.9195526124964369
Energy: 0.6963620796704912
Energy: 0.6723984900426246
Energy: 0.6963620796704912
Energy: 0.7004268511480998
Energy: 0.6989808683859646
Energy: 0.6501793856242138
Energy: 0.6989808683891428
Energy: 1.365572469554643
Energy: 0.9941563924540198
Energy: 0.6656411337734327
Energy: 0.9941563924524307
Energy: 1.1581752090075796
Energy: 0.6963694013965239
Energy: 0.6450880556936758
Energy: 0.6963694013973185
Energy: 1.1720438525201147
Energy: 0.9729289283217153
Energy: 0.672690618221901
Energy: 0.9729289283193316
Energy: 0.699869456351665
Energy: 0.7611135325835334
Energy: 0.6422275215809796
Energy: 0.7611135325851224
Energy: 1.1561775991557557
Energy: 0.9943892826557491
Energy: 0.6657991270300774
Energy: 0.9943892827201072
Energy: 0.664450025044155
Energy: 0.9183166670146325
Energy: 0.9265266444590806
Energy: 0.9183166670162215
Energy: 0.665163405838069
Energy: 0.9728289014230822
Energy: 0.6727583218460158
Energy: 0.9728289014230822
Energy: 0.6686396272022709
Energy: 0.7608152785731327
Energy: 0.9127400017889318
Energy: 0.7608152785731327
Energy: 0.645774004575422
Energy: 1.0149567394609595
Energy: 0.6691044257345476
Energy: 1.0149567394609595
Energy: 0.6710005536924643
Energy: 0.6960220434673285
Energy: 0.9235392391031364
Energy: 0.6960220432592299
Energy: 0.6450796968525346
Energy: 0.9733533007422837
Energy: 0.7042551099713317
Energy: 0.9733533007422837

minimum gb energy = 0.6422275215809796 eV
minimum distance =  2.31177355082167 Angstroms
sigma value = 15


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

Energy: 1.038384218473708
Energy: 0.6339155906345675
Energy: 1.0179496791705755
Energy: 0.6339155999352214
Energy: 1.537655848707769
Energy: 0.6291927069300995
Energy: 0.6295755674825979
Energy: 0.6291927069247149
Energy: 0.6576754884910011
Energy: 0.6285609778171102
Energy: 1.2410040570004286
Energy: 0.6285609798563322
Energy: 1.185047349106996
Energy: 0.6300004093175665
Energy: 0.629778795174357
Energy: 0.6300004093317013
Energy: 0.6268397562843283
Energy: 0.6369129153410589
Energy: 0.6265538648562232
Energy: 0.6369129309444792
Energy: 1.0408944642524929
Energy: 0.6297467934166321
Energy: 0.6295317748785513
Energy: 0.6297467934637486
Energy: 0.629144722453211
Energy: 0.6421692269466162
Energy: 0.6424953095450903
Energy: 0.6421695550109761
Energy: 0.8123577991518425
Energy: 0.6474230669464555
Energy: 0.6300511655227359
Energy: 0.6474230670944745
Energy: 0.6315479273935115
Energy: 0.6451601475604597
Energy: 0.948326124230828
Energy: 0.645160147816112
Energy: 0.5952130566519073
Energy: 0.6289614208467825
Energy: 0.6274857280146398
Energy: 0.6289614209059533
Energy: 0.628978371157962
Energy: 0.8227110693309551
Energy: 1.0511072222646967
Energy: 0.8227110836735528
Energy: 0.5927169015495554
Energy: 0.6307750622936459
Energy: 0.6585108944628286
Energy: 0.6307750178846078
Energy: 0.6313478515026328
Energy: 0.8952465297292349
Energy: 1.4634016476299048
Energy: 0.8952465305258079
Energy: 0.5949019627766756
Energy: 0.6284218260158057
Energy: 1.0381212829882198
Energy: 0.628421826018498
Energy: 0.6289912363255199
Energy: 0.8274906423986317
Energy: 1.3737947040732559
Energy: 0.8274906424060356
Energy: 0.8302951549627736
Energy: 0.6272678218719296
Energy: 0.6589821933177015
Energy: 0.6272678219230233
Energy: 0.6315539920173068
Energy: 0.6436529832468318
Energy: 1.3033638180022453
Energy: 0.6436529832522165
Energy: 0.8474851133567757
Energy: 0.6326110148389665
Energy: 0.6272598236074403
Energy: 0.6326110147555032
Energy: 0.6290371529577612
Energy: 0.6272746836357378
Energy: 1.0296582104899705
Energy: 0.6272746739434669
Energy: 0.8407330549501203
Energy: 0.8267157931797691
Energy: 0.6299439689157978
Energy: 0.8267157931656341
Energy: 0.6318094151936821
Energy: 0.6599653954547368
Energy: 0.9392056302839074
Energy: 0.6599654144873739
Energy: 0.8491794982509026
Energy: 0.6457135890568941
Energy: 0.634515536551162
Energy: 0.6457135894458184
Energy: 0.6290677868247204
Energy: 0.6270728457173727
Energy: 0.5947000272125192
Energy: 0.6270728457126609
Energy: 1.2046637120645258
Energy: 0.6281123430601523
Energy: 0.6297316776962258
Energy: 0.6281123047823035
Energy: 0.6604188574630735
Energy: 0.9065153181671156
Energy: 0.592311580250688
Energy: 0.9065153181644233
Energy: 1.210744313558598
Energy: 0.6428112583861152
Energy: 0.6344793495953973
Energy: 0.6428112583867883
Energy: 1.0404422232409936
Energy: 0.879978011784504
Energy: 0.5944562527207983
Energy: 0.8799780117851771
Energy: 1.3862518034308533
Energy: 0.6307513497602422
Energy: 0.629858298795431
Energy: 0.630751349758896
Energy: 0.6601078686719659
Energy: 0.6617576813730127
Energy: 0.6041502899815214
Energy: 0.6617577942057032
Energy: 1.0536310305161842
Energy: 0.6422964102978167
Energy: 0.6344940710943957
Energy: 0.6422964082168631
Energy: 0.6288782276638125
Energy: 0.884882256668905
Energy: 0.8432364171425575
Energy: 0.8848822566695781
Energy: 1.0549253187697887
Energy: 0.6310011724771112
Energy: 0.6295741722239377
Energy: 0.6310011724501875
Energy: 0.6314447348433687
Energy: 0.9177291335018765
Energy: 0.836651026236865
Energy: 0.917729133429856
Energy: 0.6134612341639734
Energy: 0.9064764535697378
Energy: 0.6344678438125659
Energy: 0.9064764535697378
Energy: 0.6161984097088156
Energy: 0.6878207650311838
Energy: 0.8456239956921394
Energy: 0.6878207652080843
Energy: 0.5954945115084179
Energy: 0.6314103089112665
Energy: 0.631711263128363
Energy: 0.6314103090955712
Energy: 0.6315016168694935
Energy: 0.9180297931387664
Energy: 1.2784864251163564
Energy: 0.918029793142805

minimum gb energy = 0.592311580250688 eV
minimum distance =  2.30236787538849 Angstroms
sigma value = 85


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

Energy: 1.0516189724456444
Energy: 0.6421174869484255
Energy: 1.3106223037118752
Energy: 0.642117486949593
Energy: 1.5808961457572204
Energy: 0.6218408134271362
Energy: 0.582268396554638
Energy: 0.621840813440563
Energy: 1.012734759472446
Energy: 0.7143391775200488
Energy: 0.723846148818377
Energy: 0.7143391775212165
Energy: 1.2896392823826521
Energy: 0.7004750842014704
Energy: 0.5823363173263231
Energy: 0.7004750843438314
Energy: 0.7085536516529463
Energy: 0.673971354411614
Energy: 0.6693964022356873
Energy: 0.6739713544110303
Energy: 1.1425103479986065
Energy: 0.7110145693139526
Energy: 0.5824613584229755
Energy: 0.7110145693145363
Energy: 0.6679741010190585
Energy: 0.954113033294109
Energy: 0.7008119684252111
Energy: 0.9541130332946928
Energy: 0.9840398918514076
Energy: 0.698753075268751
Energy: 0.5927800505253293
Energy: 0.6987530752623294
Energy: 0.5918381540561718
Energy: 0.7572200005677513
Energy: 1.0325867383772085
Energy: 0.7572200005665837
Energy: 0.8084915397884143
Energy: 0.7876551427442302
Energy: 0.6686793231769895
Energy: 0.7876551427442302
Energy: 0.5840019481570543
Energy: 0.7760719622925317
Energy: 1.0340755624256186
Energy: 0.7760719622983694
Energy: 0.6222082415376863
Energy: 0.62078334778813
Energy: 0.7097086757599997
Energy: 0.6207833480909758
Energy: 0.5819117601706649
Energy: 0.7570792239394232
Energy: 1.2997482968733867
Energy: 0.7570792238623918
Energy: 0.5321089004988738
Energy: 0.712528210794685
Energy: 1.0131089716721342
Energy: 0.7125282107923501
Energy: 0.5838203750997764
Energy: 0.7781325126642603
Energy: 1.4329814612532328
Energy: 0.7781325126665956
Energy: 0.5319811306957518
Energy: 0.6206515744301611
Energy: 0.9744120857363034
Energy: 0.6206515744301611
Energy: 0.5818132243105837
Energy: 0.678773965618413
Energy: 1.4980579771652673
Energy: 0.6787739656178292
Energy: 0.7236793252962667
Energy: 0.6331519689345083
Energy: 1.0131758155480182
Energy: 0.6331519530518401
Energy: 0.5834770420210446
Energy: 0.6985909294831898
Energy: 1.28683631878179
Energy: 0.6985909294907788
Energy: 0.7443756098767788
Energy: 0.6208395044312722
Energy: 0.7093322975382602
Energy: 0.6208395033284446
Energy: 0.5827813700840848
Energy: 0.610775480621351
Energy: 1.2857845327928985
Energy: 0.6107754806225184
Energy: 0.8246089531754577
Energy: 0.7774242388941832
Energy: 0.6686709947564615
Energy: 0.7774242388947671
Energy: 0.5953032700720764
Energy: 0.6214798317789821
Energy: 0.9887299516368212
Energy: 0.62147983178482
Energy: 0.8403196940200249
Energy: 0.6444259929656032
Energy: 0.593356705530196
Energy: 0.6444259929650196
Energy: 0.6703242808556801
Energy: 0.6199996531866175
Energy: 0.9744227329584682
Energy: 0.6199996531317694
Energy: 1.181968390854914
Energy: 0.6202473085760525
Energy: 0.5842316609302783
Energy: 0.6202473085748851
Energy: 0.7116940602388322
Energy: 0.6201117698730344
Energy: 0.6319664855809859
Energy: 0.6201117698695318
Energy: 1.1819322973808846
Energy: 0.6451107809864741
Energy: 0.5824224560558751
Energy: 0.6451107815793226
Energy: 1.0151192230338262
Energy: 0.6337680360334974
Energy: 0.6186605905767609
Energy: 0.6337680360317461
Energy: 1.443568680829316
Energy: 0.6201351266912821
Energy: 0.5839312744694477
Energy: 0.6201351267151903
Energy: 1.0542690271762336
Energy: 0.6330769785276448
Energy: 0.5319535419457515
Energy: 0.6330769783385818
Energy: 1.3092160019026595
Energy: 0.6452442816443543
Energy: 0.5823351816747175
Energy: 0.6452442804767546
Energy: 1.0151178469113893
Energy: 0.633156367446725
Energy: 0.526170551414367
Energy: 0.6331563684281806
Energy: 1.2892628763156144
Energy: 0.6206724044985107
Energy: 0.5842202816503532
Energy: 0.620672404855037
Energy: 0.7114350036876839
Energy: 0.6205681939550847
Energy: 0.7448091625677726
Energy: 0.6205681939562522
Energy: 1.0096471679684655
Energy: 0.6585643714443777
Energy: 0.5845919021427551
Energy: 0.6585643706992177
Energy: 0.6707654093471405
Energy: 0.7769918758590294
Energy: 0.8244898279145367
Energy: 0.7769918758350947
Energy: 0.9888733276795171
Energy: 0.6215606974936174
Energy: 0.5948354068619506
Energy: 0.62156069749245
Energy: 0.593616508312511
Energy: 0.6212235391132278
Energy: 0.8394412313414238
Energy: 0.621223538705356
Energy: 0.6398455745334999
Energy: 0.6704696236125154
Energy: 0.6722937889833347
Energy: 0.6704696236142668
Energy: 0.5814961824202342
Energy: 0.6200301246616783
Energy: 1.1798378989208447
Energy: 0.620030124659927
Energy: 0.6199312088281498
Energy: 0.6213704388152824
Energy: 0.713115962612549
Energy: 0.6213704438154073
Energy: 0.5842310554217077
Energy: 0.8552654737756183
Energy: 1.1615248763516237
Energy: 0.8552654737767859

minimum gb energy = 0.526170551414367 eV
minimum distance =  2.31129811729014 Angstroms
sigma value = 113


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

Energy: 0.0189121524503389
Energy: 0.020198337846960877
Energy: 1.064599060261031
Energy: 0.020198337846960877
Energy: 0.8587793642095779
Energy: 0.29774551991829895
Energy: 0.2976314095089344
Energy: 0.29774551991829895
Energy: 0.018912152449890123
Energy: 0.020198337846960877
Energy: 2.027834270223863
Energy: 0.020198337846960877
Energy: 0.8587793642086804
Energy: 0.29774551991785014
Energy: 0.29763140950938316
Energy: 0.29774551991829895
Energy: 0.0189121524503389
Energy: 0.020198337846960877
Energy: 2.1807107239184633
Energy: 0.020198337846960877
Energy: 0.8587793642082315
Energy: 0.2977455199187477
Energy: 0.2976314095089344
Energy: 0.2977455199187477

minimum gb energy = 0.018912152449890123 eV
minimum distance =  2.5267520613966 Angstroms
sigma value = 1