Model name: model_name=SNAP_ZuoChenLi_2019_Mo__MO_014123846623_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.169258482754231
cohesive_energy=5.496712243166805
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: -5.3546056935499 eV

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

Energy: 0.013843959211764598
Energy: 0.014976727152018629
Energy: 0.01417012399682716
Energy: 0.014976727152018629
Energy: 0.013843959211764598
Energy: 0.014976727152018629
Energy: 0.014976727152018629
Energy: 5.813291246964589
Energy: 0.014976727152018629
Energy: 5.813291246964589
Energy: 0.014976727152018629
Energy: 5.813291246964589
Energy: 0.01417012399682716
Energy: 0.014976727152018629
Energy: 0.013843959211764598
Energy: 0.014976727152018629
Energy: 0.014170123996441804
Energy: 0.014976727152018629
Energy: 0.014976727152018629
Energy: 5.813291246964589
Energy: 0.014976727152018629
Energy: 5.813291246964204
Energy: 0.014976727152018629
Energy: 5.813291246964589
Energy: 0.013843959211764598
Energy: 0.014976727152018629
Energy: 0.014170123996441804
Energy: 0.014976727152018629
Energy: 0.013843959211764598
Energy: 0.014976727152018629
Energy: 0.014976727152018629
Energy: 5.813291246964589
Energy: 0.014976727152018629
Energy: 5.813291246964589
Energy: 0.014976727152018629
Energy: 5.813291246964589

minimum gb energy = 0.013843959211764598 eV
minimum distance =  2.48116379613858 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 2.0230526163366505
Energy: 2.0377539216113316
Energy: 2.054018933244989
Energy: 2.0377539216113316
Energy: 2.0230526163366505
Energy: 2.0377539216113316
Energy: 2.063426530120259
Energy: 1.9857131901051945
Energy: 1.9498172962943476
Energy: 1.9857131901051945
Energy: 2.063426530120259
Energy: 1.9857131901051945
Energy: 2.047821022889674
Energy: 1.9873472905097442
Energy: 1.949520655295946
Energy: 1.9873472905097442
Energy: 2.047821022889674
Energy: 1.9873472905097442
Energy: 1.983877412699722
Energy: 2.052847232966656
Energy: 2.0247321866622277
Energy: 2.052847232966656
Energy: 1.983877412699722
Energy: 2.052847232966656
Energy: 1.9973723216320176
Energy: 2.0392854985455027
Energy: 2.0027756216970487
Energy: 2.0392854985455027
Energy: 1.9973723216320176
Energy: 2.0392854985455027
Energy: 1.9496374632957525
Energy: 1.9849156633230995
Energy: 2.0566039360517516
Energy: 1.9849156633230995
Energy: 1.9496374632957525
Energy: 1.9849156633230995
Energy: 1.9596271556464753
Energy: 1.9856018369153832
Energy: 2.056899952582633
Energy: 1.9856018369153832
Energy: 1.9596271556464753
Energy: 1.9856018369153832
Energy: 1.9943869248175157
Energy: 2.0389284151832783
Energy: 1.9498102607505596
Energy: 2.0389284151832783
Energy: 1.9943869248184978
Energy: 2.0389284151822964
Energy: 1.9889537719947525
Energy: 2.046654316613866
Energy: 2.026118919147316
Energy: 2.046654316613866
Energy: 1.9889537719947525
Energy: 2.046654316613866
Energy: 1.9536823592374244
Energy: 1.986357748421927
Energy: 2.0622615922669607
Energy: 1.986357748421927
Energy: 1.9536823592374244
Energy: 1.986357748421927
Energy: 1.974203730131847
Energy: 2.1125902920111446
Energy: 2.067351107692983
Energy: 2.1125902920111446
Energy: 1.974203730131847
Energy: 2.1125902920101627
Energy: 2.03559738098145
Energy: 2.0394115630246925
Energy: 2.0355857273314246
Energy: 2.0394115630246925
Energy: 2.03559738098145
Energy: 2.0394115630246925
Energy: 2.067381042654634
Energy: 2.1125902920111446
Energy: 2.0732962800965833
Energy: 2.1125902920111446
Energy: 2.067381042654634
Energy: 2.1125902920121264
Energy: 2.0622549009153093
Energy: 1.986471732335021
Energy: 1.953555518210231
Energy: 1.986471732335021
Energy: 2.0622549009153093
Energy: 1.986471732335021
Energy: 2.0260788761665265
Energy: 2.046672614049517
Energy: 1.9891399433192207
Energy: 2.046672614049517
Energy: 2.0260788761665265
Energy: 2.046672614049517
Energy: 1.949319937354321
Energy: 2.0390066650834817
Energy: 1.9944785323013412
Energy: 2.0390066650834817
Energy: 1.949319937354321
Energy: 2.0390066650834817
Energy: 2.056918610343285
Energy: 1.985584993094637
Energy: 1.9597076097662676
Energy: 1.985584993094637
Energy: 2.056918610343285
Energy: 1.985584993094637
Energy: 2.0566081119022903
Energy: 1.9850489840910366
Energy: 1.949443910227714
Energy: 1.9850489840910366
Energy: 2.0566081119022903
Energy: 1.9850489840910366
Energy: 1.9955186939372216
Energy: 2.0387039758538843
Energy: 1.9973088049364522
Energy: 2.0387039758538843
Energy: 1.9955186939372216
Energy: 2.0387039758538843
Energy: 2.024673696279024
Energy: 2.0532099415493383
Energy: 1.9839644260453955
Energy: 2.0532099415493383
Energy: 2.024673696279024
Energy: 2.0532099415493383
Energy: 1.9492224956103184
Energy: 1.9873046441970672
Energy: 2.0478211232278536
Energy: 1.9873046441970672
Energy: 1.9492224956103184
Energy: 1.9873046441970672
Energy: 1.949596881574452
Energy: 1.9856493203346979
Energy: 2.0634983664063995
Energy: 1.9856493203346979
Energy: 1.949596881574452
Energy: 1.9856493203346979
Energy: 2.0831890776884663
Energy: 2.0377539216113316
Energy: 2.0230526163366505
Energy: 2.0377539216113316
Energy: 2.0831890776884663
Energy: 2.0377539216103497

minimum gb energy = 1.9492224956103184 eV
minimum distance =  2.43058976849833 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 2.4355637698742276
Energy: 2.2266850865477106
Energy: 2.2037684929174017
Energy: 2.2266850865471524
Energy: 2.4355637698742276
Energy: 2.2266850865471524
Energy: 2.098306409499565
Energy: 2.1416242850278704
Energy: 2.1233971759973125
Energy: 2.1416242850284286
Energy: 2.098306409499565
Energy: 2.1416242850284286
Energy: 2.1093096782384615
Energy: 2.203574471178816
Energy: 2.143249402941516
Energy: 2.203574471178816
Energy: 2.1093096782384615
Energy: 2.203574471178816
Energy: 2.065204674845254
Energy: 2.1613322144575227
Energy: 2.0775584298758583
Energy: 2.1613322144575227
Energy: 2.065204674845254
Energy: 2.1613322144575227
Energy: 2.0655941853104762
Energy: 2.1614539525565637
Energy: 2.074566996378946
Energy: 2.1614539525565637
Energy: 2.0655941853099185
Energy: 2.1614539525565637
Energy: 2.0882909363465245
Energy: 2.1827563497786744
Energy: 2.1374231434695248
Energy: 2.1827563497786744
Energy: 2.0882909363454067
Energy: 2.1827563497786744
Energy: 2.0843211580917425
Energy: 2.173060446059308
Energy: 2.1322725296575564
Energy: 2.173060446059308
Energy: 2.0843211580917425
Energy: 2.173060446059308
Energy: 2.134906677634052
Energy: 2.169936025207508
Energy: 2.3096505283544753
Energy: 2.169936025207508
Energy: 2.134906677634052
Energy: 2.169936025207508
Energy: 2.0625214091942308
Energy: 2.1705242745347935
Energy: 2.109872632862408
Energy: 2.1705242745347935
Energy: 2.0625214091942308
Energy: 2.1705242745347935
Energy: 2.08077402577978
Energy: 2.2028226846114354
Energy: 2.067441802653415
Energy: 2.2028226846114354
Energy: 2.0807740257803387
Energy: 2.2028226846114354
Energy: 2.1271724066608653
Energy: 2.2259957438025806
Energy: 2.08350108468131
Energy: 2.2259957438025806
Energy: 2.1271724066608653
Energy: 2.2259957438025806
Energy: 2.167819452210019
Energy: 2.1611817587944326
Energy: 2.086629723107252
Energy: 2.1611817587944326
Energy: 2.167819452210019
Energy: 2.1611817587944326
Energy: 2.0789021093661724
Energy: 2.178408377230172
Energy: 2.0669607519323168
Energy: 2.178408377230172
Energy: 2.0789021093661724
Energy: 2.178408377230172
Energy: 2.1204777247465385
Energy: 2.2129272755259453
Energy: 2.3107262109585784
Energy: 2.2129272755265044
Energy: 2.1204777247459794
Energy: 2.2129272755265044
Energy: 2.147416595027818
Energy: 2.1677144717303705
Energy: 2.0942743376552464
Energy: 2.1677144717303705
Energy: 2.147416595027818
Energy: 2.1677144717303705
Energy: 2.146289505357406
Energy: 2.1664066917913027
Energy: 2.0879444650935968
Energy: 2.1664066917913027
Energy: 2.146289505357406
Energy: 2.1664066917913027
Energy: 2.1449047496610754
Energy: 2.147690446977351
Energy: 2.0671033480050363
Energy: 2.147690446977351
Energy: 2.1449047496610754
Energy: 2.147690446977351
Energy: 2.1444822910510015
Energy: 2.1335586325256406
Energy: 2.1078681960535426
Energy: 2.1335586325256406
Energy: 2.1444822910510015
Energy: 2.1335586325256406
Energy: 2.13138344746796
Energy: 2.1696059845195563
Energy: 2.2210873386323846
Energy: 2.1696059845195563
Energy: 2.13138344746796
Energy: 2.1696059845195563
Energy: 2.0831784693059294
Energy: 2.1737373186009785
Energy: 2.1108581842975407
Energy: 2.1737373186009785
Energy: 2.0831784693059294
Energy: 2.1737373186009785
Energy: 2.2039695837822606
Energy: 2.221834786445919
Energy: 2.1401318971243892
Energy: 2.221834786445919
Energy: 2.2039695837822606
Energy: 2.221834786445919
Energy: 2.1240110563893433
Energy: 2.1417906291690807
Energy: 2.155853653580895
Energy: 2.1417906291690807
Energy: 2.1240110563893433
Energy: 2.1417906291690807
Energy: 2.0725679436527766
Energy: 2.1478321461170276
Energy: 2.0743405965960235
Energy: 2.1478321461170276
Energy: 2.0725679436527766
Energy: 2.1478321461170276
Energy: 2.0836260772504813
Energy: 2.1412685020740643
Energy: 2.120654765306438
Energy: 2.1412685020746225
Energy: 2.0836260772504813
Energy: 2.1412685020740643
Energy: 2.092054148019182
Energy: 2.172373283118399
Energy: 2.1428704922161628
Energy: 2.172373283118399
Energy: 2.092054148019182
Energy: 2.172373283118399
Energy: 2.129392223089223
Energy: 2.2355968079070396
Energy: 2.1590002819851355
Energy: 2.2355968079070396
Energy: 2.1293922230903406
Energy: 2.2355968079070396
Energy: 2.12497167775034
Energy: 2.2307059442455217
Energy: 2.1672547496687087
Energy: 2.2307059442455217
Energy: 2.12497167775034
Energy: 2.230705944244963
Energy: 2.092377552300571
Energy: 2.1656510122019283
Energy: 2.1425223873393904
Energy: 2.1656510122019283
Energy: 2.092377552300571
Energy: 2.1656510122019283
Energy: 2.0845415429680334
Energy: 2.1409542285769105
Energy: 2.1161407991720846
Energy: 2.1409542285769105
Energy: 2.0845415429674747
Energy: 2.1409542285769105
Energy: 2.0721039544492843
Energy: 2.14760032085781
Energy: 2.140835547475766
Energy: 2.14760032085781
Energy: 2.0721039544492843
Energy: 2.14760032085781
Energy: 2.1279446593134526
Energy: 2.1417906291690807
Energy: 2.1538705815450143
Energy: 2.1417906291690807
Energy: 2.1279446593134526
Energy: 2.1417906291690807
Energy: 2.1946487487779147
Energy: 2.221295408581977
Energy: 2.1388915170559475
Energy: 2.221295408581977
Energy: 2.1946487487790316
Energy: 2.221295408581977
Energy: 2.0892009552916453
Energy: 2.1701715466556375
Energy: 2.1314376269304574
Energy: 2.1701715466556375
Energy: 2.089200955292204
Energy: 2.1701715466550784
Energy: 2.129024166889924
Energy: 2.1688961878627206
Energy: 2.2640157013634883
Energy: 2.1688961878627206
Energy: 2.129024166889924
Energy: 2.1688961878621624
Energy: 2.1441794667397063
Energy: 2.1349738107289946
Energy: 2.120671336542544
Energy: 2.1349738107289946
Energy: 2.1441794667397063
Energy: 2.1349738107289946
Energy: 2.1444989510559798
Energy: 2.1487155214705465
Energy: 2.0671678186229374
Energy: 2.1487155214705465
Energy: 2.1444989510559798
Energy: 2.1487155214705465
Energy: 2.1471595871768763
Energy: 2.1587206198153215
Energy: 2.0932714398775927
Energy: 2.1587206198153215
Energy: 2.1471595871768763
Energy: 2.1587206198153215
Energy: 2.1463463667711022
Energy: 2.1789872808768393
Energy: 2.087942714420997
Energy: 2.1789872808768393
Energy: 2.1463463667711022
Energy: 2.1789872808768393
Energy: 2.1287742903880056
Energy: 2.208196163355177
Energy: 2.31066490562589
Energy: 2.208196163355177
Energy: 2.1287742903880056
Energy: 2.208196163355177
Energy: 2.125248399139377
Energy: 2.1794117757040787
Energy: 2.066652570558492
Energy: 2.1794117757040787
Energy: 2.125248399139377
Energy: 2.1794117757040787
Energy: 2.1678136475797425
Energy: 2.160972898794655
Energy: 2.0940929629196785
Energy: 2.160972898794655
Energy: 2.1678136475797425
Energy: 2.160972898794655

minimum gb energy = 2.0625214091942308 eV
minimum distance =  2.41790144698646 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 2.3809479458656235
Energy: 2.3681819172632275
Energy: 2.173175375896336
Energy: 2.3681819172632275
Energy: 2.3809479458656235
Energy: 2.3681819172632275
Energy: 2.115517018742514
Energy: 2.241138227980949
Energy: 2.213781713629475
Energy: 2.241138227980949
Energy: 2.115517018742514
Energy: 2.241138227980949
Energy: 2.1645964770530153
Energy: 2.284366180453218
Energy: 2.1416753505707393
Energy: 2.284366180453218
Energy: 2.1645964770530153
Energy: 2.284366180453218
Energy: 2.1360604415681506
Energy: 2.2402724948913058
Energy: 2.203820505221102
Energy: 2.2402724948913058
Energy: 2.1360604415681506
Energy: 2.2402724948913058
Energy: 2.142385646533792
Energy: 2.248378543500368
Energy: 2.243632601754268
Energy: 2.248378543500368
Energy: 2.142385646533792
Energy: 2.248378543500368
Energy: 2.1114864447846537
Energy: 2.1867646798333498
Energy: 2.2017091556370607
Energy: 2.1867646798333498
Energy: 2.1114864447846537
Energy: 2.1867646798333498
Energy: 2.1181123514870204
Energy: 2.1887540110807753
Energy: 2.1779043899260864
Energy: 2.1887540110807753
Energy: 2.1181123514870204
Energy: 2.1887540110807753
Energy: 2.1607668592236835
Energy: 2.250653637794582
Energy: 2.186820698667664
Energy: 2.250653637794582
Energy: 2.1607668592236835
Energy: 2.250653637794582
Energy: 2.1275066793721016
Energy: 2.365952757321603
Energy: 2.1205316608886005
Energy: 2.365952757321603
Energy: 2.1275066793721016
Energy: 2.365952757321603
Energy: 2.16026132094743
Energy: 2.2820208000522846
Energy: 2.186829878621202
Energy: 2.2820208000522846
Energy: 2.16026132094743
Energy: 2.2820208000522846
Energy: 2.2020594459652667
Energy: 2.3410678438440717
Energy: 2.1923290566917997
Energy: 2.3410678438440717
Energy: 2.2020594459652667
Energy: 2.341067843842777
Energy: 2.203335162181384
Energy: 2.368577580186308
Energy: 2.201935669047382
Energy: 2.368577580186308
Energy: 2.203335162181384
Energy: 2.368577580186308
Energy: 2.1257570228168565
Energy: 2.2398438681836232
Energy: 2.2128228070311127
Energy: 2.2398438681836232
Energy: 2.1257570228168565
Energy: 2.2398438681836232
Energy: 2.1587170288011492
Energy: 2.283486630100734
Energy: 2.2114937491675164
Energy: 2.283486630100734
Energy: 2.1587170288011492
Energy: 2.283486630100734
Energy: 2.170559926840364
Energy: 2.2841903612570804
Energy: 2.2047539354040406
Energy: 2.2841903612570804
Energy: 2.170559926840364
Energy: 2.2841903612570804
Energy: 2.1606916828747766
Energy: 2.2462371036213975
Energy: 2.2118916143938465
Energy: 2.2462371036213975
Energy: 2.1606916828747766
Energy: 2.2462371036213975
Energy: 2.1144673474790143
Energy: 2.283567454656184
Energy: 2.2001190114287783
Energy: 2.283567454656184
Energy: 2.1144673474790143
Energy: 2.283567454656184
Energy: 2.1296459673926273
Energy: 2.189064435452626
Energy: 2.1833891937067924
Energy: 2.189064435452626
Energy: 2.1296459673913333
Energy: 2.189064435452626

minimum gb energy = 2.1114864447846537 eV
minimum distance =  2.40182334177442 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 2.3120323097626327
Energy: 2.3407885399264603
Energy: 2.2053397622548663
Energy: 2.3407885399264603
Energy: 2.3120323097626327
Energy: 2.3407885399272277
Energy: 2.032390680401771
Energy: 2.361889453154058
Energy: 2.090538401423228
Energy: 2.361889453154058
Energy: 2.032390680401771
Energy: 2.361889453154058
Energy: 2.0568408540976004
Energy: 2.345128534802539
Energy: 2.1231057387585315
Energy: 2.345128534802539
Energy: 2.0568408540976004
Energy: 2.345128534802539
Energy: 2.0896084279383387
Energy: 2.342897127709394
Energy: 2.123420492780513
Energy: 2.3428971277101613
Energy: 2.089608427937571
Energy: 2.342897127709394
Energy: 2.095568362007416
Energy: 2.3438499770794667
Energy: 2.136767631667015
Energy: 2.3438499770794667
Energy: 2.095568362007416
Energy: 2.343849977080234
Energy: 2.137167768394547
Energy: 2.343854814682393
Energy: 2.0955771885069656
Energy: 2.343854814682393
Energy: 2.137167768394547
Energy: 2.343854814682393
Energy: 2.1233832453543995
Energy: 2.342879788831179
Energy: 2.0900862604626997
Energy: 2.342879788831179
Energy: 2.1233832453543995
Energy: 2.342879788831179
Energy: 2.1233359346209326
Energy: 2.3451387279306415
Energy: 2.05717896040642
Energy: 2.3451387279306415
Energy: 2.1233359346209326
Energy: 2.3451387279306415
Energy: 2.09033671677642
Energy: 2.361826305085251
Energy: 2.021440821429793
Energy: 2.361826305085251
Energy: 2.09033671677642
Energy: 2.361826305085251
Energy: 2.2053397622548663
Energy: 2.3407885399264603
Energy: 2.3120323097626327
Energy: 2.3407885399264603
Energy: 2.2053397622548663
Energy: 2.3407885399272277
Energy: 2.090538401423228
Energy: 2.361889453154058
Energy: 2.032390680401771
Energy: 2.361889453154058
Energy: 2.090538401423228
Energy: 2.361889453154058
Energy: 2.1231057387585315
Energy: 2.345128534802539
Energy: 2.0568408540976004
Energy: 2.345128534802539
Energy: 2.1231057387585315
Energy: 2.345128534802539
Energy: 2.123420492780513
Energy: 2.342897127709394
Energy: 2.0896084279383387
Energy: 2.342897127709394
Energy: 2.123420492780513
Energy: 2.3428971277101613
Energy: 2.136767631667015
Energy: 2.3438499770794667
Energy: 2.095568362007416
Energy: 2.3438499770794667
Energy: 2.136767631667015
Energy: 2.3438499770794667
Energy: 2.0955771885069656
Energy: 2.343854814683161
Energy: 2.137167768394547
Energy: 2.343854814683161
Energy: 2.0955771885069656
Energy: 2.343854814683161
Energy: 2.0854398076252267
Energy: 2.342879788831179
Energy: 2.123383245353632
Energy: 2.342879788831179
Energy: 2.0854398076252267
Energy: 2.342879788831179
Energy: 2.05717896040642
Energy: 2.3451387279306415
Energy: 2.1233359346209326
Energy: 2.3451387279306415
Energy: 2.05717896040642
Energy: 2.3451387279306415
Energy: 2.021440821429793
Energy: 2.361826305085251
Energy: 2.09033671677642
Energy: 2.361826305085251
Energy: 2.021440821429793
Energy: 2.361826305085251
Energy: 2.3120323097626327
Energy: 2.3407885399264603
Energy: 2.315589086305469
Energy: 2.3407885399264603
Energy: 2.3120323097626327
Energy: 2.3407885399272277
Energy: 2.021489068458632
Energy: 2.361889453154058
Energy: 2.090538401423228
Energy: 2.361889453154058
Energy: 2.021489068458632
Energy: 2.361889453154058
Energy: 2.0568408540976004
Energy: 2.345128534802539
Energy: 2.1231057387585315
Energy: 2.345128534802539
Energy: 2.0568408540976004
Energy: 2.345128534802539
Energy: 2.089608427937571
Energy: 2.3428971277101613
Energy: 2.123420492780513
Energy: 2.3428971277101613
Energy: 2.0896084279383387
Energy: 2.342897127709394
Energy: 2.095568362007416
Energy: 2.343849977080234
Energy: 2.136767631667015
Energy: 2.3438499770794667
Energy: 2.095568362007416
Energy: 2.343849977080234
Energy: 2.137167768394547
Energy: 2.343854814682393
Energy: 2.0955771885069656
Energy: 2.343854814682393
Energy: 2.137167768394547
Energy: 2.343854814682393
Energy: 2.1233832453543995
Energy: 2.342879788831179
Energy: 2.0854398076252267
Energy: 2.342879788831179
Energy: 2.1233832453543995
Energy: 2.342879788831179
Energy: 2.1233359346209326
Energy: 2.3451387279306415
Energy: 2.0571789604071875
Energy: 2.3451387279306415
Energy: 2.1233359346209326
Energy: 2.3451387279306415
Energy: 2.09033671677642
Energy: 2.361826305085251
Energy: 2.021440821429793
Energy: 2.361826305085251
Energy: 2.09033671677642
Energy: 2.361826305085251
Energy: 2.334564784286799
Energy: 2.3407885399264603
Energy: 2.3120323097626327
Energy: 2.3407885399264603
Energy: 2.334564784286799
Energy: 2.3407885399264603
Energy: 2.090538401423228
Energy: 2.361889453154058
Energy: 2.021489068458632
Energy: 2.361889453154058
Energy: 2.090538401423228
Energy: 2.361889453154058
Energy: 2.1231057387585315
Energy: 2.345128534802539
Energy: 2.0568408540976004
Energy: 2.345128534802539
Energy: 2.1231057387585315
Energy: 2.345128534802539

minimum gb energy = 2.021440821429793 eV
minimum distance =  2.41662067330517 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.9394921143329844
Energy: 2.152545598742227
Energy: 2.081447932753203
Energy: 2.152545598742227
Energy: 1.9394921143329844
Energy: 2.152545598742227
Energy: 1.8728611878875543
Energy: 2.1071894538433096
Energy: 1.923849822436074
Energy: 2.1071894538433096
Energy: 1.8728611878875543
Energy: 2.1071894538433096
Energy: 1.9385591767790287
Energy: 2.3061057906129125
Energy: 2.0831419283292276
Energy: 2.3061057906129125
Energy: 1.9385591767790287
Energy: 2.3061057906129125
Energy: 1.927927411853816
Energy: 2.1447241404757693
Energy: 1.9236340055586825
Energy: 2.1447241404757693
Energy: 1.927927411853816
Energy: 2.1447241404757693
Energy: 1.9297696456482931
Energy: 2.1453965558899646
Energy: 1.90295763684825
Energy: 2.1453965558899646
Energy: 1.9297696456482931
Energy: 2.1453965558899646
Energy: 1.9256914368713145
Energy: 2.1674111094535373
Energy: 1.9288096352154458
Energy: 2.1674111094535373
Energy: 1.9256914368713145
Energy: 2.1674111094535373
Energy: 1.960997275388542
Energy: 2.1087449819938744
Energy: 1.9297140010945224
Energy: 2.1087449819938744
Energy: 1.960997275388542
Energy: 2.1087449819938744
Energy: 1.9295863863291676
Energy: 2.155772408412517
Energy: 1.930047034726736
Energy: 2.155772408412517
Energy: 1.9295863863291676
Energy: 2.155772408412517
Energy: 1.9273125581566581
Energy: 2.1527208244545886
Energy: 1.8996981215158304
Energy: 2.1527208244545886
Energy: 1.9273125581566581
Energy: 2.1527208244545886
Energy: 1.925983627487437
Energy: 2.330340695820254
Energy: 1.925960776329703
Energy: 2.330340695820254
Energy: 1.925983627487437
Energy: 2.330340695820254
Energy: 1.9038964275099375
Energy: 2.152708641839318
Energy: 1.9277724161825
Energy: 2.152708641839318
Energy: 1.9038964275099375
Energy: 2.152708641839318
Energy: 1.9300834435254315
Energy: 2.1557838427910916
Energy: 1.9295608895472993
Energy: 2.1557838427910916
Energy: 1.9300834435254315
Energy: 2.1557838427910916

minimum gb energy = 1.8728611878875543 eV
minimum distance =  2.43809888533651 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.2009974067623856
Energy: 2.4435008824341353
Energy: 2.271999500313784
Energy: 2.4435008824341353
Energy: 2.2009974067623856
Energy: 2.4435008824341353
Energy: 2.147210801300568
Energy: 2.317194765921704
Energy: 2.0134666858428525
Energy: 2.3171947659211765
Energy: 2.147210801300568
Energy: 2.317194765921704
Energy: 2.046843219582677
Energy: 2.42587571120443
Energy: 2.011024106548705
Energy: 2.425875711203901
Energy: 2.046843219582677
Energy: 2.42587571120443
Energy: 2.088997111517224
Energy: 2.385881557940835
Energy: 2.0425125664273445
Energy: 2.385881557940835
Energy: 2.088997111517224
Energy: 2.385881557940835
Energy: 2.1085355094083096
Energy: 2.3916336795761883
Energy: 2.042478783912438
Energy: 2.3916336795761883
Energy: 2.1085355094083096
Energy: 2.3916336795761883
Energy: 2.0539549681200686
Energy: 2.3193344305453616
Energy: 2.0567673725642677
Energy: 2.3193344305448336
Energy: 2.0539549681200686
Energy: 2.3193344305448336
Energy: 2.220480925363909
Energy: 2.3552807394116715
Energy: 2.007498357521099
Energy: 2.3552807394116715
Energy: 2.220480925363909
Energy: 2.3552807394116715
Energy: 2.007400875452793
Energy: 2.3880866209788474
Energy: 2.112235717065411
Energy: 2.3880866209788474
Energy: 2.007400875452793
Energy: 2.3880866209788474
Energy: 2.1403021297566815
Energy: 2.3975880333726733
Energy: 2.017660236824587
Energy: 2.3975880333726733
Energy: 2.1403021297561535
Energy: 2.3975880333726733
Energy: 2.033006483597348
Energy: 2.40716227696078
Energy: 2.081168300365048
Energy: 2.40716227696078
Energy: 2.0330064835978763
Energy: 2.40716227696078
Energy: 2.1609850584649117
Energy: 2.351353891575757
Energy: 2.010375478820714
Energy: 2.3513538915752292
Energy: 2.1609850584649117
Energy: 2.3513538915752292
Energy: 2.0110424862250587
Energy: 2.394922329460186
Energy: 2.01101792669791
Energy: 2.394922329460186
Energy: 2.0110424862250587
Energy: 2.394922329460186
Energy: 2.048637183200031
Energy: 2.2381157560581526
Energy: 2.0967717257746648
Energy: 2.2381157560576246
Energy: 2.048637183200031
Energy: 2.2381157560576246
Energy: 2.2039240893826113
Energy: 2.415603343849214
Energy: 2.0663329829452386
Energy: 2.415603343849214
Energy: 2.2039240893826113
Energy: 2.415603343849214
Energy: 2.010708353241499
Energy: 2.4220999404499226
Energy: 2.054040511206263
Energy: 2.4220999404499226
Energy: 2.010708353241499
Energy: 2.4220999404499226
Energy: 2.084675169877543
Energy: 2.3714688275611984
Energy: 2.0113978911926105
Energy: 2.3714688275611984
Energy: 2.084675169877543
Energy: 2.3714688275611984
Energy: 2.0330836545935824
Energy: 2.435819473185986
Energy: 2.1814228539451213
Energy: 2.435819473185986
Energy: 2.033083654593054
Energy: 2.435819473185986
Energy: 2.075219238361352
Energy: 2.2365517180893817
Energy: 2.0166216612881955
Energy: 2.2365517180893817
Energy: 2.075219238361352
Energy: 2.23655171808991
Energy: 2.006940912528337
Energy: 2.427499132666695
Energy: 2.048982965462603
Energy: 2.427499132666695
Energy: 2.006940912528337
Energy: 2.427499132666695
Energy: 2.0479833414292585
Energy: 2.366413823466882
Energy: 2.0479994704529743
Energy: 2.366413823466882
Energy: 2.047983341429787
Energy: 2.366413823466882
Energy: 2.049403495485228
Energy: 2.427381367929257
Energy: 2.006929796875146
Energy: 2.4273813679297853
Energy: 2.049403495485228
Energy: 2.427381367929257
Energy: 2.0165716236532565
Energy: 2.236656609845733
Energy: 2.075236893071786
Energy: 2.236656609845733
Energy: 2.016571623652728
Energy: 2.236656609845733
Energy: 2.1810931965477227
Energy: 2.436235284262701
Energy: 2.0322930254314895
Energy: 2.436235284263229
Energy: 2.1810931965477227
Energy: 2.436235284262701
Energy: 2.0120095196140504
Energy: 2.371468588407983
Energy: 2.0841940368536807
Energy: 2.371468588407983
Energy: 2.0120095196140504
Energy: 2.371468588407983
Energy: 2.0543063043121976
Energy: 2.4220174455325902
Energy: 2.0104339970378926
Energy: 2.4220174455325902
Energy: 2.0543063043121976
Energy: 2.4220174455325902
Energy: 2.06609869338227
Energy: 2.415708644477968
Energy: 2.20390923468416
Energy: 2.415708644477968
Energy: 2.06609869338227
Energy: 2.415708644477968
Energy: 2.0967535925618463
Energy: 2.2389206916294326
Energy: 2.0482841202712887
Energy: 2.2389206916294326
Energy: 2.0967535925618463
Energy: 2.2389206916299607
Energy: 2.011014796710236
Energy: 2.395080059536925
Energy: 2.011006633628927
Energy: 2.395080059536925
Energy: 2.011014796710236
Energy: 2.395080059536925
Energy: 2.0103454824045865
Energy: 2.3512433344179664
Energy: 2.116777923092122
Energy: 2.351243334418495
Energy: 2.0103454824045865
Energy: 2.3512433344179664
Energy: 2.0811650818384084
Energy: 2.4071495159766
Energy: 2.0327510083816964
Energy: 2.4071495159766
Energy: 2.0811650818384084
Energy: 2.4071495159766
Energy: 2.009984961856023
Energy: 2.3975880333737303
Energy: 2.1402828743561346
Energy: 2.3975880333737303
Energy: 2.009984961856023
Energy: 2.3975880333737303
Energy: 2.1123649855791613
Energy: 2.388134718172081
Energy: 2.0078178219069214
Energy: 2.388134718172081
Energy: 2.1123649855791613
Energy: 2.388134718172081
Energy: 2.007104498687798
Energy: 2.3553494217288917
Energy: 2.387252707152403
Energy: 2.3553494217288917
Energy: 2.007104498687798
Energy: 2.3553494217288917
Energy: 2.056752355332286
Energy: 2.227224873622522
Energy: 2.0539068293247476
Energy: 2.227224873622522
Energy: 2.056752355332286
Energy: 2.227224873622522
Energy: 2.0373825343153613
Energy: 2.391707803151488
Energy: 2.108367194266087
Energy: 2.391707803151488
Energy: 2.0373825343153613
Energy: 2.391707803151488
Energy: 2.0424696406099128
Energy: 2.3768985977525143
Energy: 2.0890373526145156
Energy: 2.3768985977525143
Energy: 2.0424696406093843
Energy: 2.3768985977525143
Energy: 2.0110080837745907
Energy: 2.4255463934872843
Energy: 2.0468201449682155
Energy: 2.4255463934872843
Energy: 2.0110080837745907
Energy: 2.4255463934872843
Energy: 2.0138498031133545
Energy: 2.3930889943960967
Energy: 2.1471936863214447
Energy: 2.3930889943960967
Energy: 2.0138498031133545
Energy: 2.3930889943960967
Energy: 2.195514370765989
Energy: 2.4435008824341353
Energy: 2.2009974067623856
Energy: 2.4435008824341353
Energy: 2.195514370736925
Energy: 2.4435008824341353
Energy: 2.013466685842325
Energy: 2.317194765921704
Energy: 2.1472108013010964
Energy: 2.317194765921704
Energy: 2.013466685842325
Energy: 2.317194765921704
Energy: 2.0110241065481764
Energy: 2.42587571120443
Energy: 2.046843219582677
Energy: 2.42587571120443
Energy: 2.011024106548705
Energy: 2.42587571120443
Energy: 2.0425125664278725
Energy: 2.3858815579413633
Energy: 2.088997111517224
Energy: 2.3858815579413633
Energy: 2.0425125664278725
Energy: 2.3858815579413633
Energy: 2.0427370567572156
Energy: 2.3916336795761883
Energy: 2.1085355094083096
Energy: 2.3916336795761883
Energy: 2.0427370567572156
Energy: 2.3916336795761883

minimum gb energy = 2.006929796875146 eV
minimum distance =  2.40881029586796 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.0163807673489758
Energy: 2.305085835246158
Energy: 2.1528012994345853
Energy: 2.305085835246158
Energy: 2.0163807673489758
Energy: 2.305085835246158
Energy: 2.2853866744094176
Energy: 2.358874344168221
Energy: 1.9593358184124685
Energy: 2.358874344168221
Energy: 2.2853866744094176
Energy: 2.358874344168221
Energy: 1.9189972599346663
Energy: 2.245745940390517
Energy: 2.155239308527496
Energy: 2.245745940390517
Energy: 1.9189972599346663
Energy: 2.245745940390517
Energy: 1.9321030389474418
Energy: 2.2451889073849243
Energy: 1.905174400693218
Energy: 2.2451889073849243
Energy: 1.9321030389474418
Energy: 2.2451889073849243
Energy: 1.9516080417836872
Energy: 2.3888517727485743
Energy: 1.9597742227096409
Energy: 2.3888517727485743
Energy: 1.9516080417836872
Energy: 2.3888517727485743
Energy: 2.323042627732589
Energy: 2.2463414788744154
Energy: 1.9021377575867604
Energy: 2.2463414788744154
Energy: 2.323042627732589
Energy: 2.2463414788744154
Energy: 2.3230413394679794
Energy: 2.2461832457381212
Energy: 1.9020972780155956
Energy: 2.2461832457381212
Energy: 2.3230413394679794
Energy: 2.2461832457381212
Energy: 1.9515915092285854
Energy: 2.388844582025406
Energy: 1.9055505891329
Energy: 2.388844582025406
Energy: 1.9515915092285854
Energy: 2.388844582025406
Energy: 1.9320397597306394
Energy: 2.2451409976149583
Energy: 1.9593613467357556
Energy: 2.2451409976149583
Energy: 1.9320397597306394
Energy: 2.2451409976149583
Energy: 1.9187416773045727
Energy: 2.2457678634079823
Energy: 2.1553009028008137
Energy: 2.2457678634091853
Energy: 1.9187416773045727
Energy: 2.2457678634079823
Energy: 2.2854128884382843
Energy: 2.358874344167018
Energy: 1.905455371948761
Energy: 2.358874344167018
Energy: 2.2854128884382843
Energy: 2.358874344167018
Energy: 2.0163807673489758
Energy: 2.305085835246158
Energy: 2.1469977259386352
Energy: 2.305085835246158
Energy: 2.0163807673489758
Energy: 2.305085835246158
Energy: 2.2853866744094176
Energy: 2.358874344168221
Energy: 1.9313324085199153
Energy: 2.358874344168221
Energy: 2.2853866744094176
Energy: 2.358874344168221
Energy: 1.9189972599346663
Energy: 2.245745940390517
Energy: 2.155239308527496
Energy: 2.245745940390517
Energy: 1.9189972599346663
Energy: 2.245745940390517
Energy: 1.9321030389474418
Energy: 2.2451889073849243
Energy: 1.905174400693218
Energy: 2.2451889073849243
Energy: 1.9321030389474418
Energy: 2.2451889073849243
Energy: 1.9516080417836872
Energy: 2.3888517727485743
Energy: 1.9310010348825273
Energy: 2.3888517727485743
Energy: 1.9516080417836872
Energy: 2.3888517727485743
Energy: 2.323042627732589
Energy: 2.2463414788744154
Energy: 1.9021377575867604
Energy: 2.2463414788744154
Energy: 2.323042627732589
Energy: 2.2463414788744154
Energy: 2.3230413394679794
Energy: 2.2461832457381212
Energy: 1.9020972780155956
Energy: 2.2461832457381212
Energy: 2.3230413394679794
Energy: 2.2461832457381212
Energy: 1.9515915092285854
Energy: 2.388844582025406
Energy: 1.9055505891329
Energy: 2.388844582025406
Energy: 1.9515915092285854
Energy: 2.388844582025406

minimum gb energy = 1.9020972780155956 eV
minimum distance =  2.41700890339989 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.9229389644063075
Energy: 2.214093865726351
Energy: 2.136246634471606
Energy: 2.214093865726351
Energy: 1.9229389644054264
Energy: 2.214093865726351
Energy: 2.0994670853590813
Energy: 2.1768795560536174
Energy: 1.8155632661958567
Energy: 2.1768795560536174
Energy: 2.0994670853590813
Energy: 2.1768795560536174
Energy: 1.876852106947851
Energy: 2.134576926326487
Energy: 2.0651252217643803
Energy: 2.134576926325606
Energy: 1.876852106947851
Energy: 2.134576926326487
Energy: 2.132265253855698
Energy: 2.1242726530321865
Energy: 1.8146085432610257
Energy: 2.1242726530321865
Energy: 2.132265253855698
Energy: 2.1242726530321865
Energy: 1.8287387806812492
Energy: 2.2012546143288785
Energy: 2.0423600509557462
Energy: 2.2012546143288785
Energy: 1.8287387806812492
Energy: 2.2012546143288785
Energy: 1.8402238716438795
Energy: 2.1878206018368087
Energy: 1.815381511187772
Energy: 2.1878206018368087
Energy: 1.8402238716438795
Energy: 2.1878206018368087
Energy: 1.852689855376845
Energy: 2.138090211252545
Energy: 1.8101080753712557
Energy: 2.138090211252545
Energy: 1.852689855377726
Energy: 2.138090211252545
Energy: 2.1351599454520778
Energy: 2.236346885158698
Energy: 1.8617120334367283
Energy: 2.236346885158698
Energy: 2.1351599454520778
Energy: 2.236346885158698
Energy: 2.133464202478578
Energy: 2.2412668947722216
Energy: 1.9765413665386316
Energy: 2.2412668947731027
Energy: 2.133464202478578
Energy: 2.2412668947731027
Energy: 1.8391726615866828
Energy: 2.1391366396412748
Energy: 1.815793948699198
Energy: 2.1391366396421567
Energy: 1.8391726615866828
Energy: 2.1391366396421567
Energy: 1.8504471642928855
Energy: 2.1807758949677223
Energy: 1.8097585099665368
Energy: 2.1807758949677223
Energy: 1.8504471642928855
Energy: 2.1807758949677223
Energy: 1.8161901995007268
Energy: 2.2087854388403056
Energy: 1.8146290075303857
Energy: 2.2087854388403056
Energy: 1.8161901995007268
Energy: 2.2087854388403056
Energy: 2.134305563025258
Energy: 2.124492563698361
Energy: 1.8157010623080487
Energy: 2.124492563698361
Energy: 2.134305563025258
Energy: 2.124492563698361
Energy: 1.8071195542328289
Energy: 2.13451074664204
Energy: 1.8351934868132902
Energy: 2.134510746641159
Energy: 1.8071195542328289
Energy: 2.13451074664204
Energy: 2.105510855392813
Energy: 2.177069975117682
Energy: 1.8092718109545503
Energy: 2.177069975117682
Energy: 2.1055108553919317
Energy: 2.177069975117682
Energy: 1.852643051497677
Energy: 2.210260360280141
Energy: 2.0043337925254567
Energy: 2.210260360280141
Energy: 1.852643051497677
Energy: 2.210260360280141
Energy: 2.1046419890398633
Energy: 2.1769617273184845
Energy: 1.8164938123223362
Energy: 2.1769617273193655
Energy: 2.1046419890398633
Energy: 2.1769617273184845
Energy: 1.807243794287972
Energy: 2.139920509287759
Energy: 1.847360565724656
Energy: 2.13992050928864
Energy: 1.807243794287972
Energy: 2.139920509287759
Energy: 1.9677504394884062
Energy: 2.123681593211345
Energy: 1.810999636449521
Energy: 2.123681593211345
Energy: 1.9677504394884062
Energy: 2.123681593211345
Energy: 1.8161722382734997
Energy: 2.2150286611649324
Energy: 1.8290263021341269
Energy: 2.2150286611649324
Energy: 1.8161722382734997
Energy: 2.2150286611649324
Energy: 2.2128866900264823
Energy: 2.1832044475072117
Energy: 1.8082825077776468
Energy: 2.1832044475072117
Energy: 2.2128866900264823
Energy: 2.1832044475072117
Energy: 1.8400922340408947
Energy: 2.1417938735103625
Energy: 1.9578884729330064
Energy: 2.1417938735103625
Energy: 1.8400922340417756
Energy: 2.1417938735103625
Energy: 2.1409662842698434
Energy: 2.235601672389602
Energy: 1.8523995346727151
Energy: 2.235601672389602
Energy: 2.1409662842698434
Energy: 2.235601672389602
Energy: 1.8160185337489885
Energy: 2.241248524313469
Energy: 2.092900871227923
Energy: 2.241248524313469
Energy: 1.8160185337489885
Energy: 2.241248524313469
Energy: 1.8311855387740046
Energy: 2.138657146788154
Energy: 1.8084228634810438
Energy: 2.138657146788154
Energy: 1.8311855387740046
Energy: 2.138657146788154
Energy: 1.837626991439194
Energy: 2.1863741099160783
Energy: 1.8081543699419476
Energy: 2.1863741099160783
Energy: 1.837626991439194
Energy: 2.1863741099160783

minimum gb energy = 1.8071195542328289 eV
minimum distance =  2.46586698966728 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 2.1673475931533583
Energy: 2.1417097104691907
Energy: 1.805085072985094
Energy: 2.1417097104691907
Energy: 2.167347593154053
Energy: 2.1417097104691907
Energy: 2.281579639137258
Energy: 2.034264917599914
Energy: 1.6963933453578695
Energy: 2.0342649175992196
Energy: 2.281579639137258
Energy: 2.0342649175992196
Energy: 1.8170894796829782
Energy: 2.0651272020448674
Energy: 1.7440575312621425
Energy: 2.0651272020448674
Energy: 1.8170894796829782
Energy: 2.0651272020448674
Energy: 2.1174497673393957
Energy: 1.9773271483621522
Energy: 1.7037260344251801
Energy: 1.9773271483621522
Energy: 2.1174497673393957
Energy: 1.9773271483621522
Energy: 1.7816010216073934
Energy: 1.978499852474274
Energy: 1.9393623218394702
Energy: 1.978499852474274
Energy: 1.7816010216073934
Energy: 1.978499852474274
Energy: 1.9615786132113349
Energy: 2.050349209524723
Energy: 1.6956865085586477
Energy: 2.050349209524723
Energy: 1.9615786132113349
Energy: 2.050349209524723
Energy: 1.7122461638827227
Energy: 2.0652064690268155
Energy: 1.6966788394945518
Energy: 2.0652064690268155
Energy: 1.7122461638827227
Energy: 2.0652064690268155
Energy: 2.052255439543619
Energy: 2.0735869389439117
Energy: 1.731292032208116
Energy: 2.0735869389439117
Energy: 2.0522554395429244
Energy: 2.0735869389439117
Energy: 1.745382488819858
Energy: 1.9775879971965002
Energy: 1.8320069560320298
Energy: 1.977587997197195
Energy: 1.745382488819858
Energy: 1.9775879971965002
Energy: 1.9706904076058007
Energy: 2.1177844171808005
Energy: 1.9499221578715291
Energy: 2.1177844171808005
Energy: 1.970690407605106
Energy: 2.1177844171808005
Energy: 1.968325390073936
Energy: 2.117690760800216
Energy: 1.94991970454962
Energy: 2.117690760800216
Energy: 1.968325390073936
Energy: 2.117690760800216
Energy: 1.725286371943506
Energy: 2.1419401600095482
Energy: 1.731430720557842
Energy: 2.1419401600095482
Energy: 1.725286371943506
Energy: 2.1419401600095482
Energy: 1.744604935517829
Energy: 2.11497464213599
Energy: 1.8316896033901642
Energy: 2.11497464213599
Energy: 1.744604935517829
Energy: 2.11497464213599
Energy: 1.7000888730749064
Energy: 2.065384894533138
Energy: 1.6958429554516221
Energy: 2.065384894533138
Energy: 1.7000888730749064
Energy: 2.065384894533138
Energy: 1.959176046040413
Energy: 2.0504985134401337
Energy: 1.6962031616404118
Energy: 2.0504985134401337
Energy: 1.959176046040413
Energy: 2.0504985134401337
Energy: 1.697050479028267
Energy: 2.141861804374159
Energy: 1.6965469902805081
Energy: 2.141861804374159
Energy: 1.697050479028267
Energy: 2.141861804374159
Energy: 1.9259824743924259
Energy: 2.0938986327849505
Energy: 1.7105725156500518
Energy: 2.0938986327849505
Energy: 1.9259824743924259
Energy: 2.0938986327849505
Energy: 1.73289101667615
Energy: 2.0653629025711955
Energy: 1.7224111164953266
Energy: 2.0653629025711955
Energy: 1.73289101667615
Energy: 2.0653629025711955
Energy: 2.279232986188556
Energy: 2.035747640292402
Energy: 1.6959349520276126
Energy: 2.0357476402917074
Energy: 2.2792329861878615
Energy: 2.0357476402917074
Energy: 1.9509956651674523
Energy: 2.140682424088589
Energy: 1.9702347883394096
Energy: 2.140682424088589
Energy: 1.9509956651674523
Energy: 2.140682424088589
Energy: 2.2809962670433976
Energy: 2.033846364434501
Energy: 1.7109973273491996
Energy: 2.033846364434501
Energy: 2.2809962670433976
Energy: 2.033846364434501
Energy: 1.7325685366925694
Energy: 2.0652481494234434
Energy: 1.7470636682823795
Energy: 2.065248149424138
Energy: 1.7325685366925694
Energy: 2.065248149424138
Energy: 2.115075938825576
Energy: 1.9765547131483279
Energy: 1.6957009503000005
Energy: 1.9765547131483279
Energy: 2.115075938825576
Energy: 1.9765547131476335
Energy: 1.6963580722732916
Energy: 2.017939882589435
Energy: 1.8498405366757342
Energy: 2.0179398825901296
Energy: 1.6963580722732916
Energy: 2.017939882589435
Energy: 1.8519991767951716
Energy: 2.0500335063315185
Energy: 1.6960225974125833
Energy: 2.0500335063308235
Energy: 1.8519991767951716
Energy: 2.0500335063315185
Energy: 1.7000205399625903
Energy: 2.0243956399814085
Energy: 1.817433766243912
Energy: 2.0243956399814085
Energy: 1.7000205399618957
Energy: 2.0243956399814085
Energy: 2.055635900797547
Energy: 2.0657267785739735
Energy: 1.7320313484962642
Energy: 2.0657267785739735
Energy: 2.055635900797547
Energy: 2.0657267785739735
Energy: 1.7290874643203586
Energy: 2.0224452880353128
Energy: 2.103394430573021
Energy: 2.0224452880346186
Energy: 1.7290874643203586
Energy: 2.0224452880353128
Energy: 1.9695735246250712
Energy: 2.1197953368971465
Energy: 1.9514615355769358
Energy: 2.1197953368971465
Energy: 1.9695735246250712
Energy: 2.119795336896452
Energy: 1.6998699752025384
Energy: 2.0644565099095886
Energy: 2.1213656189451005
Energy: 2.064456509908894
Energy: 1.6998699752025384
Energy: 2.0644565099095886
Energy: 1.7235831025956985
Energy: 2.065634310613801
Energy: 1.7317243803488591
Energy: 2.065634310613801
Energy: 1.7235831025956985
Energy: 2.065634310613801
Energy: 1.7278096435399686
Energy: 2.0510078028220984
Energy: 1.9251174074795547
Energy: 2.0510078028220984
Energy: 1.7278096435399686
Energy: 2.0510078028220984
Energy: 1.69609318357755
Energy: 2.065514857092058
Energy: 1.695810570308799
Energy: 2.065514857092058
Energy: 1.69609318357755
Energy: 2.065514857092058

minimum gb energy = 1.6956865085586477 eV
minimum distance =  2.45916423374794 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.9112250882546098
Energy: 2.0115719151408293
Energy: 1.8399940399415644
Energy: 2.0115719151408293
Energy: 1.9112250882546098
Energy: 2.0115719151408293
Energy: 2.4150382154415353
Energy: 1.7823179516365992
Energy: 1.54990912045667
Energy: 1.7823179516365992
Energy: 2.4150382154415353
Energy: 1.7823179516365992
Energy: 1.8668962493558108
Energy: 1.9521537751038225
Energy: 1.8182968758736724
Energy: 1.9521537751038225
Energy: 1.8668962493558108
Energy: 1.9521537751038225
Energy: 2.2715552553873377
Energy: 1.5593363365311286
Energy: 1.55017370381703
Energy: 1.5593363365311286
Energy: 2.2715552553873377
Energy: 1.5593363365311286
Energy: 1.6421578585716323
Energy: 1.8883140816159842
Energy: 1.7999194906471445
Energy: 1.8883140816159842
Energy: 1.6421578585716323
Energy: 1.8883140816159842
Energy: 1.9404919689609041
Energy: 1.8299467020359408
Energy: 1.549966806340342
Energy: 1.8299467020359408
Energy: 1.9404919689609041
Energy: 1.8299467020359408
Energy: 1.6116234231263005
Energy: 1.8280987804987785
Energy: 1.5455343902682643
Energy: 1.8280987804987785
Energy: 1.6116234231263005
Energy: 1.8280987804987785
Energy: 1.830738208643193
Energy: 1.8925839767101913
Energy: 1.5598285555841565
Energy: 1.8925839767101913
Energy: 1.830738208643193
Energy: 1.8925839767101913
Energy: 1.5627190224967369
Energy: 1.888255555022219
Energy: 1.645102458601136
Energy: 1.888255555022219
Energy: 1.5627190224967369
Energy: 1.888255555022219
Energy: 1.7237809497091028
Energy: 1.9035103402846145
Energy: 1.7131621701278787
Energy: 1.9035103402846145
Energy: 1.7237809497091028
Energy: 1.9035103402846145
Energy: 1.5571305011668861
Energy: 1.8892665594261773
Energy: 1.7122742850537256
Energy: 1.8892665594261773
Energy: 1.5571305011668861
Energy: 1.8892665594261773
Energy: 1.9975596540102187
Energy: 1.9205925905338492
Energy: 1.741103333450086
Energy: 1.9205925905338492
Energy: 1.9975596540102187
Energy: 1.9205925905338492
Energy: 1.7220301368574364
Energy: 1.8929410199184877
Energy: 1.8360924852131322
Energy: 1.8929410199184877
Energy: 1.7220301368574364
Energy: 1.8929410199184877
Energy: 1.7392622769676458
Energy: 1.945562480826074
Energy: 1.9618648049008285
Energy: 1.945562480826074
Energy: 1.7392622769676458
Energy: 1.945562480826074
Energy: 1.734843635439927
Energy: 1.8850400342761957
Energy: 1.9601228231406642
Energy: 1.8850400342761957
Energy: 1.734843635439927
Energy: 1.8850400342761957
Energy: 1.725437094380048
Energy: 1.9507271957335959
Energy: 1.7403129382683726
Energy: 1.9507271957335959
Energy: 1.725437094380048
Energy: 1.9507271957335959
Energy: 1.719889889562219
Energy: 1.958148769528214
Energy: 1.8365469971795174
Energy: 1.958148769528214
Energy: 1.719889889562219
Energy: 1.958148769528214
Energy: 1.5461650230456117
Energy: 1.9453497595453426
Energy: 1.7130071632313912
Energy: 1.9453497595453426
Energy: 1.5461650230456117
Energy: 1.9453497595453426
Energy: 1.735759526582422
Energy: 1.964487686411149
Energy: 1.712472489774977
Energy: 1.964487686411149
Energy: 1.735759526582422
Energy: 1.964487686411149
Energy: 1.5534226639150406
Energy: 1.9503952271650014
Energy: 1.5599208165318525
Energy: 1.9503952271650014
Energy: 1.5534226639150406
Energy: 1.9503952271650014
Energy: 1.7227725473558027
Energy: 1.9109593624657049
Energy: 1.6447501583020094
Energy: 1.9109593624657049
Energy: 1.7227725473558027
Energy: 1.9109593624657049
Energy: 1.554917006665231
Energy: 1.945422790280131
Energy: 1.5503048956457186
Energy: 1.945422790280131
Energy: 1.554917006665231
Energy: 1.945422790280131
Energy: 1.9506311172638475
Energy: 1.9001896004572816
Energy: 1.545082071052582
Energy: 1.9001896004572816
Energy: 1.9506311172638475
Energy: 1.9001896004572816
Energy: 1.5866623770780242
Energy: 1.9501517709269058
Energy: 1.5509407081859974
Energy: 1.9501517709269058
Energy: 1.5866623770780242
Energy: 1.9501517709269058
Energy: 2.1222708981695435
Energy: 1.9123867642715544
Energy: 1.6290607838903635
Energy: 1.9123867642715544
Energy: 2.1222708981695435
Energy: 1.9123867642715544
Energy: 1.7402303366956624
Energy: 1.9195312318797735
Energy: 1.562731835407185
Energy: 1.9195312318797735
Energy: 1.7402303366956624
Energy: 1.9195312318797735
Energy: 2.423371506397238
Energy: 1.8169142030828784
Energy: 1.5452563042108374
Energy: 1.8169142030828784
Energy: 2.423371506397238
Energy: 1.8169142030828784
Energy: 1.7887067491329054
Energy: 1.9690620632220546
Energy: 1.7332734452694105
Energy: 1.9690620632220546
Energy: 1.7887067491329054
Energy: 1.9690620632220546
Energy: 2.098899230351372
Energy: 1.8743247060882782
Energy: 1.6285937775840218
Energy: 1.8743247060882782
Energy: 2.098899230351372
Energy: 1.8743247060882782
Energy: 1.7402096483028775
Energy: 1.919083331163061
Energy: 1.768414346704767
Energy: 1.919083331163061
Energy: 1.7402096483028775
Energy: 1.919083331163061
Energy: 2.1033761620135016
Energy: 1.7609510497712884
Energy: 1.5453543052876162
Energy: 1.7609510497712884
Energy: 2.1033761620135016
Energy: 1.7609510497712884
Energy: 1.586627596351524
Energy: 1.893218243074285
Energy: 1.8045388238334634
Energy: 1.893218243074285
Energy: 1.586627596351524
Energy: 1.893218243074285
Energy: 1.8341372817840431
Energy: 1.8295910604253254
Energy: 1.553525563149046
Energy: 1.8295910604253254
Energy: 1.8341372817840431
Energy: 1.8295910604253254
Energy: 1.5552914356425491
Energy: 1.8295980272085504
Energy: 1.8513374517195873
Energy: 1.8295980272085504
Energy: 1.5552914356425491
Energy: 1.8295980272085504
Energy: 1.8509169164306087
Energy: 1.8301963685921285
Energy: 1.5556946894601293
Energy: 1.8301963685921285
Energy: 1.8509169164306087
Energy: 1.8301963685921285
Energy: 1.5535856241290726
Energy: 1.8296199895340548
Energy: 1.8341579218621562
Energy: 1.8296199895340548
Energy: 1.5535856241290726
Energy: 1.8296199895340548
Energy: 1.8044349358273652
Energy: 1.8934054466254946
Energy: 1.5864586419825208
Energy: 1.8934054466254946
Energy: 1.8044349358273652
Energy: 1.8934054466254946
Energy: 1.545400228591107
Energy: 1.7602451659724103
Energy: 2.1041570538429086
Energy: 1.7602451659724103
Energy: 1.545400228591107
Energy: 1.7602451659724103
Energy: 1.768414346704767
Energy: 1.9189658761799544
Energy: 1.740094721320775
Energy: 1.9189658761799544
Energy: 1.768414346704767
Energy: 1.9189658761799544
Energy: 1.7266316757251197
Energy: 1.8741873672486205
Energy: 2.0989894363890027
Energy: 1.8741873672486205
Energy: 1.7266316757251197
Energy: 1.8741873672486205
Energy: 1.733396810386691
Energy: 1.9690235328601646
Energy: 1.7890019766967966
Energy: 1.9690235328601646
Energy: 1.7333968103915651
Energy: 1.9690235328601646
Energy: 1.5452373660636471
Energy: 1.8170482315427152
Energy: 2.4234771695102584
Energy: 1.8170482315427152
Energy: 1.5452373660636471
Energy: 1.8170482315427152
Energy: 1.5627213605633903
Energy: 1.9196354115423442
Energy: 1.74036399098365
Energy: 1.9196354115423442
Energy: 1.5627213605633903
Energy: 1.9196354115423442
Energy: 1.7255660989826989
Energy: 1.9123635860199053
Energy: 2.122415651508931
Energy: 1.9123635860199053
Energy: 1.7255660989826989
Energy: 1.9123635860199053
Energy: 1.5505298194248072
Energy: 1.9501774626223178
Energy: 1.5864594859519467
Energy: 1.9501774626223178
Energy: 1.5505298194248072
Energy: 1.9501774626223178
Energy: 1.5451232783057125
Energy: 1.9001896004572816
Energy: 1.950292597979004
Energy: 1.9001896004572816
Energy: 1.5451232783057125
Energy: 1.9001896004572816
Energy: 1.550306260898948
Energy: 1.945793536547335
Energy: 1.5552634359563984
Energy: 1.945793536547335
Energy: 1.550306260898948
Energy: 1.945793536547335

minimum gb energy = 1.545082071052582 eV
minimum distance =  2.48856692548449 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.6321751129714978
Energy: 0.633194476741326
Energy: 0.6331451954070356
Energy: 0.633194476741326
Energy: 0.6321751129714978
Energy: 0.633194476741326
Energy: 0.6250968970127212
Energy: 1.3418236446751
Energy: 1.2350087279744273
Energy: 1.3418236446751
Energy: 0.6250968970127212
Energy: 1.3418236446751
Energy: 0.6321751129714978
Energy: 0.633194476741326
Energy: 0.6331451954037781
Energy: 0.633194476741326
Energy: 0.6321751129714978
Energy: 0.633194476741326
Energy: 0.6250968970127212
Energy: 1.3418236446751
Energy: 1.2350087279744273
Energy: 1.3418236446751
Energy: 0.6250968970127212
Energy: 1.3418236446751
Energy: 0.6321751129714978
Energy: 0.633194476741326
Energy: 0.6331451954037781
Energy: 0.633194476741326
Energy: 0.6321751129714978
Energy: 0.633194476741326
Energy: 0.6250968970127212
Energy: 1.3418236446751
Energy: 1.2350087279744273
Energy: 1.3418236446751
Energy: 0.6250968970127212
Energy: 1.3418236446751
Energy: 0.6321751129714978
Energy: 0.633194476741326
Energy: 0.6331451954037781
Energy: 0.633194476741326
Energy: 0.6321751129714978
Energy: 0.633194476741326

minimum gb energy = 0.6250968970127212 eV
minimum distance =  2.65900119758592 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 2.159643190849354
Energy: 1.9284062845273042
Energy: 1.8131024261758484
Energy: 1.9284062845273042
Energy: 2.159643190849354
Energy: 1.9284062845273042
Energy: 2.46327292540385
Energy: 1.6729704639006127
Energy: 1.4882859381821096
Energy: 1.6729704639006127
Energy: 2.46327292540385
Energy: 1.6729704639006127
Energy: 1.942174365642565
Energy: 1.8731103123162602
Energy: 1.8027762630800992
Energy: 1.8731103123162602
Energy: 1.942174365642565
Energy: 1.8731103123162602
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Energy: 1.8790946359338614
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Energy: 1.589562275609314
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Energy: 1.4469932454830043
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Energy: 1.474258063867077
Energy: 1.7760727602567152
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Energy: 1.4466158581864172
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Energy: 1.4466158581864172
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Energy: 1.6913267477626464
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Energy: 1.9740512948852145
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Energy: 1.4589370132686068
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Energy: 1.9740512948852145
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Energy: 1.9974499473735992
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Energy: 1.6468622980228445
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Energy: 2.0258178262617332
Energy: 1.8648373317574949
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Energy: 1.4863634848842633
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Energy: 1.9979643435859844
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Energy: 1.785061358247477
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Energy: 1.8589673568583684
Energy: 1.4521864163060378
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Energy: 1.732450092573069
Energy: 1.8589673568583684
Energy: 1.9744758131993767
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Energy: 1.5324469310342506
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Energy: 1.7824035657231851
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Energy: 1.7824035657187525
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Energy: 1.463546582398694
Energy: 1.7717311011493027
Energy: 1.6751366157838596
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Energy: 1.463546582398694
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Energy: 1.7028653742884465
Energy: 1.8716606491381123
Energy: 1.6814874321427464
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Energy: 1.7028653742884465
Energy: 1.8716606491381123
Energy: 1.500239174825595
Energy: 1.653547054078641
Energy: 1.9635609290962266
Energy: 1.653547054078641
Energy: 1.500239174825595
Energy: 1.653547054078641
Energy: 1.446964390409079
Energy: 1.8275166170468153
Energy: 1.7047929209253385
Energy: 1.8275166170468153
Energy: 1.446964390409079
Energy: 1.8275166170468153
Energy: 1.4943432877825606
Energy: 1.6729867318700349
Energy: 1.9602249809380414
Energy: 1.6729867318700349
Energy: 1.4943432877825606
Energy: 1.6729867318700349
Energy: 1.487882749341822
Energy: 1.8821312586868075
Energy: 1.9724912691953789
Energy: 1.8821312586868075
Energy: 1.487882749341822
Energy: 1.8821312586868075
Energy: 1.4867173798765638
Energy: 1.6724057244132877
Energy: 2.278725964029871
Energy: 1.6724057244132877
Energy: 1.4867173798765638
Energy: 1.6724057244132877
Energy: 1.447656534369855
Energy: 1.9160477689022979
Energy: 2.0006084356215768
Energy: 1.9160477689022979
Energy: 1.447656534369855
Energy: 1.9160477689022979
Energy: 1.4939011679218384
Energy: 1.5645427409787662
Energy: 2.1438467439433273
Energy: 1.5645427409787662
Energy: 1.4939011679218384
Energy: 1.5645427409787662
Energy: 1.4619331869576642
Energy: 1.882071829473776
Energy: 1.9728011451572507
Energy: 1.882071829473776
Energy: 1.4619331869576642
Energy: 1.882071829473776
Energy: 1.4828327399958074
Energy: 1.491436986910997
Energy: 2.1319216568346215
Energy: 1.491436986910997
Energy: 1.4828327399958074
Energy: 1.491436986910997
Energy: 1.446633241371623
Energy: 1.8275418767398732
Energy: 1.7049137656290403
Energy: 1.8275418767398732
Energy: 1.446633241371623
Energy: 1.8275418767398732
Energy: 1.5420726974573986
Energy: 1.711821743664294
Energy: 1.8975115139957182
Energy: 1.711821743664294
Energy: 1.5420726974573986
Energy: 1.711821743664294
Energy: 1.696842993100704
Energy: 1.8102214362422449
Energy: 1.681838222572699
Energy: 1.8102214362422449
Energy: 1.696842993100704
Energy: 1.8102214362422449

minimum gb energy = 1.4466158581864172 eV
minimum distance =  2.43160952441246 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 2.2241511585726803
Energy: 2.124584084993426
Energy: 2.317992014598782
Energy: 2.124584084993426
Energy: 2.2241511585726803
Energy: 2.124584084993426
Energy: 2.4525338584817753
Energy: 1.8436086167612766
Energy: 1.6137247424689454
Energy: 1.8436086167612766
Energy: 2.4525338584817753
Energy: 1.8436086167612766
Energy: 2.1668177367076065
Energy: 1.9940708632747641
Energy: 1.7721754037992423
Energy: 1.9940708632747641
Energy: 2.1668177367076065
Energy: 1.9940708632747641
Energy: 2.2239826246187158
Energy: 1.641092459131628
Energy: 1.6380185390178195
Energy: 1.6410924591310196
Energy: 2.2239826246181074
Energy: 1.6410924591310196
Energy: 1.8132878659383322
Energy: 1.9123072216473256
Energy: 1.7980130780253887
Energy: 1.9123072216473256
Energy: 1.8132878659383322
Energy: 1.9123072216473256
Energy: 1.8364778287408943
Energy: 1.9621614981115512
Energy: 1.653300916462562
Energy: 1.9621614981115512
Energy: 1.8364778287408943
Energy: 1.9621614981115512
Energy: 1.771686569093151
Energy: 1.8810120533140926
Energy: 1.8377886597678283
Energy: 1.8810120533140926
Energy: 1.7716865690937595
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Energy: 1.6456893125881036
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Energy: 1.6456893125881036
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Energy: 1.6283251370181653
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Energy: 1.6283251370181653
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Energy: 1.682367450199188
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Energy: 2.019264099712471
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Energy: 2.0449965900475586
Energy: 1.6179433109105412
Energy: 1.8134343733212757
Energy: 2.124298852568791
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Energy: 1.8134343733212757
Energy: 1.574788737696615
Energy: 2.029992671626091
Energy: 1.9666996107124934
Energy: 2.029992671626091
Energy: 1.5747887376972234
Energy: 2.029992671626091
Energy: 1.5966025320078665
Energy: 1.8424997920077701
Energy: 2.330776405161801
Energy: 1.8424997920077701
Energy: 1.5966025320078665
Energy: 1.8424997920077701
Energy: 1.6455157795638293
Energy: 2.0455756958171456
Energy: 2.0193121446361193
Energy: 2.045575695816537
Energy: 1.6455157795638293
Energy: 2.045575695816537
Energy: 1.6429919970549964
Energy: 1.8822168569754503
Energy: 1.995236225111272
Energy: 1.8822168569754503
Energy: 1.6429919970549964
Energy: 1.8822168569754503
Energy: 1.6514650011857905
Energy: 2.028052673835732
Energy: 1.6986454144960927
Energy: 2.028052673835732
Energy: 1.6514650011857905
Energy: 2.028052673835732
Energy: 1.6502436850620126
Energy: 1.883933832114326
Energy: 1.9221968777374918
Energy: 1.883933832114326
Energy: 1.6502436850620126
Energy: 1.883933832114326
Energy: 1.995954849280322
Energy: 1.9921716720491696
Energy: 1.6529320801823109
Energy: 1.992171672048561
Energy: 1.995954849280322
Energy: 1.992171672048561
Energy: 1.995459299575465
Energy: 2.026868004902328
Energy: 1.64896415407067
Energy: 2.026868004902328
Energy: 1.995459299575465
Energy: 2.026868004902328
Energy: 2.0185872486826955
Energy: 2.0294849492701093
Energy: 1.6377040635769604
Energy: 2.0294849492701093
Energy: 2.018587248682087
Energy: 2.0294849492701093
Energy: 2.018437376893007
Energy: 2.040450536019306
Energy: 1.7503273856135844
Energy: 2.040450536019306
Energy: 2.018437376893007
Energy: 2.040450536019306
Energy: 2.441630422084828
Energy: 1.8675784296246294
Energy: 1.6273658576717178
Energy: 1.8675784296246294
Energy: 2.441630422084828
Energy: 1.8675784296246294
Energy: 2.441223004348949
Energy: 1.9280775245330721
Energy: 1.6135141261247834
Energy: 1.9280775245330721
Energy: 2.441223004348949
Energy: 1.9280775245330721
Energy: 2.01861020454653
Energy: 2.0270809771554603
Energy: 1.729873044315373
Energy: 2.0270809771554603
Energy: 2.01861020454653
Energy: 2.0270809771554603
Energy: 2.0185650307657457
Energy: 2.0230351809733427
Energy: 1.6247008809531969
Energy: 2.023035180973951
Energy: 2.0185650307657457
Energy: 2.023035180973951
Energy: 1.9957842367772713
Energy: 2.0166693994533373
Energy: 1.6480830653533474
Energy: 2.0166693994533373
Energy: 1.9957842367772713
Energy: 2.0166693994533373
Energy: 1.995595998970686
Energy: 1.986203051151585
Energy: 1.65109215945188
Energy: 1.986203051151585
Energy: 1.995595998970686
Energy: 1.986203051151585
Energy: 1.6508479975423422
Energy: 1.94021266631886
Energy: 1.808544150039185
Energy: 1.94021266631886
Energy: 1.6508479975423422
Energy: 1.94021266631886
Energy: 1.6502132294407348
Energy: 2.029645442162527
Energy: 1.6967048008625183
Energy: 2.029645442162527
Energy: 1.6502132294407348
Energy: 2.029645442162527
Energy: 1.64369323535152
Energy: 1.8822168569754503
Energy: 1.995431074968528
Energy: 1.8822168569754503
Energy: 1.64369323535152
Energy: 1.8822168569754503
Energy: 1.6445848737427509
Energy: 2.0063395718437738
Energy: 2.0183888958210394
Energy: 2.0063395718437738
Energy: 1.6445848737427509
Energy: 2.0063395718437738
Energy: 1.6010230398973082
Energy: 1.857614899724828
Energy: 2.156478753564186
Energy: 1.857614899724828
Energy: 1.6010230398973082
Energy: 1.857614899724828
Energy: 1.5756612157297898
Energy: 2.030061570055591
Energy: 1.966708203339215
Energy: 2.0300615700549827
Energy: 1.5756612157297898
Energy: 2.0300615700549827
Energy: 1.5716490855972474
Energy: 1.674327786200322
Energy: 2.244016843102486
Energy: 1.674327786200322
Energy: 1.5716490855972474
Energy: 1.674327786200322
Energy: 1.6823674501997967
Energy: 2.0065733817350173
Energy: 2.018602640420753
Energy: 2.0065733817350173
Energy: 1.6823674501997967
Energy: 2.0065733817350173
Energy: 1.6284451135512326
Energy: 1.7383578744743244
Energy: 2.04030444113892
Energy: 1.7383578744743244
Energy: 1.6284451135512326
Energy: 1.7383578744743244
Energy: 1.6459537955414045
Energy: 1.9377154511841044
Energy: 1.69729991150956
Energy: 1.9377154511841044
Energy: 1.6459537955414045
Energy: 1.9377154511841044
Energy: 1.7716128752935394
Energy: 1.8816660766352569
Energy: 1.825981640180237
Energy: 1.8816660766352569
Energy: 1.7716128752935394
Energy: 1.8816660766352569

minimum gb energy = 1.5716490855972474 eV
minimum distance =  2.41434926446987 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 2.232519484095875
Energy: 2.167618369766449
Energy: 2.0090613835313857
Energy: 2.167618369766449
Energy: 2.232519484095875
Energy: 2.167618369766449
Energy: 2.361271126426926
Energy: 2.0810671517904846
Energy: 1.6853748367403762
Energy: 2.081067151789737
Energy: 2.361271126426926
Energy: 2.0810671517904846
Energy: 1.8345214002583115
Energy: 2.032330629759814
Energy: 2.0084749411953893
Energy: 2.032330629759814
Energy: 1.8345214002583115
Energy: 2.032330629759814
Energy: 2.080170780714524
Energy: 1.6274389294034526
Energy: 1.6846644088223082
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Energy: 2.080170780714524
Energy: 1.6274389294034526
Energy: 1.764627120410964
Energy: 2.0021054464651264
Energy: 1.623915124208764
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Energy: 2.0021054464651264
Energy: 1.6291913857811615
Energy: 2.0033484698572486
Energy: 1.633767752586901
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Energy: 2.003348469857996
Energy: 1.6735294133886023
Energy: 1.8566970789681967
Energy: 1.8512953156594372
Energy: 1.8566970789681967
Energy: 1.6735294133886023
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Energy: 1.6968632164575652
Energy: 2.0528165348841894
Energy: 1.7121928970541225
Energy: 2.0528165348841894
Energy: 1.6968632164575652
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Energy: 1.670894875344834
Energy: 1.8577591816500563
Energy: 2.083174786720104
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Energy: 1.670894875344834
Energy: 1.8577591816500563
Energy: 1.6286469765792952
Energy: 2.1139468584195056
Energy: 2.090851582963525
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Energy: 1.6286469765792952
Energy: 2.1139468584195056
Energy: 1.6742086217529777
Energy: 2.1066070555761214
Energy: 2.0534123738549908
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Energy: 1.6742086217529777
Energy: 2.1066070555761214
Energy: 1.6274743533568214
Energy: 2.052817626438918
Energy: 1.7120580576842177
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Energy: 1.6274743533568214
Energy: 2.052817626438918
Energy: 1.627078861970525
Energy: 1.6285910275432975
Energy: 1.841078791080544
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Energy: 1.6285910275432975
Energy: 1.63426799197194
Energy: 2.120748587329351
Energy: 1.6331611870522074
Energy: 2.120748587329351
Energy: 1.63426799197194
Energy: 2.120748587329351
Energy: 1.634111733832035
Energy: 2.0036777522944544
Energy: 1.6327995959542903
Energy: 2.0036777522944544
Energy: 1.634111733832035
Energy: 2.0036777522944544
Energy: 2.053539594975529
Energy: 1.8862898828411043
Energy: 1.6842632316719839
Energy: 1.8862898828418517
Energy: 2.053539594975529
Energy: 1.8862898828418517
Energy: 2.0531167520606477
Energy: 2.0509114660178467
Energy: 1.8952563359937196
Energy: 2.0509114660178467
Energy: 2.0531167520606477
Energy: 2.0509114660178467
Energy: 2.0906583134410583
Energy: 2.1167600087362595
Energy: 1.6817600556760894
Energy: 2.1167600087362595
Energy: 2.0906583134410583
Energy: 2.1167600087362595
Energy: 2.0906448421710313
Energy: 2.114870291053007
Energy: 1.6907220862859034
Energy: 2.114870291053007
Energy: 2.0906448421710313
Energy: 2.114870291053007
Energy: 2.0541455582631585
Energy: 2.1066650280215677
Energy: 1.6811588507456108
Energy: 2.1066650280215677
Energy: 2.0541455582631585
Energy: 2.1066650280215677
Energy: 2.0535253572697894
Energy: 2.1903103964599593
Energy: 1.6900092188759246
Energy: 2.1903103964599593
Energy: 2.0535253572697894
Energy: 2.1903103964599593
Energy: 1.6342243086743233
Energy: 2.0035078756278284
Energy: 1.6278237534097373
Energy: 2.0035078756278284
Energy: 1.634224308673576
Energy: 2.0035078756278284
Energy: 1.6340268345646716
Energy: 2.1124080175416067
Energy: 1.6335134335652526
Energy: 2.1124080175416067
Energy: 1.6340268345646716
Energy: 2.1124080175416067
Energy: 1.6272413220618178
Energy: 2.0033031023372208
Energy: 1.6341072956811566
Energy: 2.0033031023372208
Energy: 1.6272413220618178
Energy: 2.0033031023372208
Energy: 1.627388934379369
Energy: 2.18069857127838
Energy: 1.7117672808025426
Energy: 2.18069857127838
Energy: 1.627388934379369
Energy: 2.18069857127838
Energy: 1.6744267567708142
Energy: 2.1058019804430086
Energy: 2.0538215839047016
Energy: 2.1058019804430086
Energy: 1.6744267567708142
Energy: 2.1058019804430086
Energy: 1.6268904996969027
Energy: 2.115346049542801
Energy: 2.0908736148903015
Energy: 2.115346049542801
Energy: 1.6268904996969027
Energy: 2.115346049542801
Energy: 1.6724262116917452
Energy: 2.1127107785853645
Energy: 2.0910634055825783
Energy: 2.1127107785853645
Energy: 1.6724262116917452
Energy: 2.1127107785853645
Energy: 1.6949745552258055
Energy: 2.0518021010715457
Energy: 1.7122044309371074
Energy: 2.0518021010707983
Energy: 1.6949745552258055
Energy: 2.0518021010715457
Energy: 1.6750646608528414
Energy: 1.818864537149104
Energy: 2.0537335926460742
Energy: 1.818864537149104
Energy: 1.6750646608528414
Energy: 1.818864537149104
Energy: 1.6245439602342775
Energy: 2.002764997497292
Energy: 1.633894309812208
Energy: 2.002764997497292
Energy: 1.6245439602342775
Energy: 2.002764997497292

minimum gb energy = 1.623915124208764 eV
minimum distance =  2.42678451104371 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.9619995999823092
Energy: 2.2643278494830406
Energy: 2.10230796054583
Energy: 2.2643278494830406
Energy: 1.9619995999823092
Energy: 2.2643278494830406
Energy: 2.030394443498016
Energy: 2.278618570483529
Energy: 1.7520152691821824
Energy: 2.278618570483529
Energy: 2.030394443498016
Energy: 2.278618570483529
Energy: 1.8551935517321918
Energy: 2.238550513973583
Energy: 2.102658974599572
Energy: 2.238550513973583
Energy: 1.8551935517321918
Energy: 2.238550513973583
Energy: 1.7048451910401683
Energy: 1.7052392208044764
Energy: 1.7625568607741753
Energy: 1.7052392208044764
Energy: 1.7048451910401683
Energy: 1.7052392208044764
Energy: 1.75111363600195
Energy: 1.8514642389776041
Energy: 1.7105274024215984
Energy: 1.8514642389785718
Energy: 1.75111363600195
Energy: 1.8514642389776041
Energy: 1.7051754807254977
Energy: 2.1970243704588226
Energy: 1.7179725736888523
Energy: 2.1970243704588226
Energy: 1.7051754807254977
Energy: 2.1970243704588226
Energy: 1.7432397616641777
Energy: 2.010254847276617
Energy: 2.0315147846083748
Energy: 2.010254847276617
Energy: 1.7432397616641777
Energy: 2.010254847276617
Energy: 1.7057509656561771
Energy: 2.2228667898921026
Energy: 1.8319945141302563
Energy: 2.2228667898921026
Energy: 1.7057509656561771
Energy: 2.2228667898921026
Energy: 1.751309559366631
Energy: 2.2755855660110718
Energy: 2.009255907678685
Energy: 2.2755855660110718
Energy: 1.751309559366631
Energy: 2.2755855660110718
Energy: 1.7041041527662293
Energy: 2.2230344567876994
Energy: 1.7177740436277997
Energy: 2.2230344567876994
Energy: 1.7041041527662293
Energy: 2.2230344567876994
Energy: 1.703666003535569
Energy: 1.704793898693079
Energy: 1.7040159737308127
Energy: 1.704793898693079
Energy: 1.703666003535569
Energy: 1.704793898693079
Energy: 1.7159852874432
Energy: 1.9761258999494538
Energy: 1.7611033607979112
Energy: 1.9761258999494538
Energy: 1.7159852874432
Energy: 1.9761258999494538
Energy: 1.7160263377761387
Energy: 2.2226579713002876
Energy: 1.7492299736808092
Energy: 2.2226579713002876
Energy: 1.7160263377771063
Energy: 2.2226579713002876
Energy: 2.3169856228436574
Energy: 2.2271242486041576
Energy: 1.7438238415574052
Energy: 2.2271242486041576
Energy: 2.3169856228436574
Energy: 2.2271242486041576
Energy: 2.3157754292483577
Energy: 2.2407471602272233
Energy: 1.7789838242093152
Energy: 2.2407471602272233
Energy: 2.3157754292483577
Energy: 2.2407471602272233
Energy: 1.715853283348662
Energy: 2.228972335752389
Energy: 1.7577484020567753
Energy: 2.228972335752389
Energy: 1.715853283348662
Energy: 2.228972335752389
Energy: 1.7161160956061252
Energy: 2.0217408314637875
Energy: 1.7038395557715764
Energy: 2.0217408314637875
Energy: 1.7161160956061252
Energy: 2.021740831464755
Energy: 1.7037049169476448
Energy: 2.261237947957224
Energy: 1.7039583821657902
Energy: 2.261237947957224
Energy: 1.7037049169476448
Energy: 2.261237947957224
Energy: 1.7037149676830463
Energy: 2.021823428712794
Energy: 1.716170156940405
Energy: 2.021823428711827
Energy: 1.7037149676830463
Energy: 2.021823428711827
Energy: 1.7575025223765457
Energy: 2.2290102518567974
Energy: 1.7160413806635195
Energy: 2.2290102518567974
Energy: 1.7575025223765457
Energy: 2.2290102518567974
Energy: 1.778797833444575
Energy: 2.2407685609980463
Energy: 2.3157860280812965
Energy: 2.2407685609980463
Energy: 1.778797833444575
Energy: 2.2407685609980463
Energy: 1.744175701320626
Energy: 2.1960660258462243
Energy: 2.3170869829471963
Energy: 2.1960660258462243
Energy: 1.7441757013196582
Energy: 2.1960660258462243
Energy: 1.799475281868487
Energy: 2.2226116238285885
Energy: 1.716104423034305
Energy: 2.2226116238285885
Energy: 1.799475281868487
Energy: 2.2226116238285885
Energy: 1.761777177044646
Energy: 1.9756107300604784
Energy: 1.7160396439782457
Energy: 1.9756107300604784
Energy: 1.761777177044646
Energy: 1.9756107300604784

minimum gb energy = 1.703666003535569 eV
minimum distance =  2.42758857595709 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.9195165996880896
Energy: 1.9037436487026627
Energy: 2.0498579922147746
Energy: 1.9037436487026627
Energy: 1.9195165996880896
Energy: 1.9037436487026627
Energy: 1.7902180858903944
Energy: 1.8033202149714633
Energy: 1.8077746070052416
Energy: 1.8033202149714633
Energy: 1.7902180858903944
Energy: 1.8033202149714633
Energy: 1.8984263216832464
Energy: 1.9025848301892099
Energy: 2.18530763494139
Energy: 1.9025848301892099
Energy: 1.8984263216832464
Energy: 1.9025848301892099
Energy: 1.7784332500352535
Energy: 1.7667285088885956
Energy: 1.7664197939511357
Energy: 1.7667285088885956
Energy: 1.7784332500352535
Energy: 1.7667285088885956
Energy: 1.8014306478815258
Energy: 1.8019229123972518
Energy: 2.0312056797128295
Energy: 1.8019229123972518
Energy: 1.8014306478815258
Energy: 1.8019229123972518
Energy: 1.787790134507893
Energy: 1.8055584308299961
Energy: 1.806418226205772
Energy: 1.8055584308299961
Energy: 1.787790134507893
Energy: 1.8055584308299961
Energy: 1.8329742382822762
Energy: 2.513320256916588
Energy: 1.7941906467502573
Energy: 2.513320256917956
Energy: 1.8329742382822762
Energy: 2.513320256917956
Energy: 1.7666072926226246
Energy: 2.181524289580828
Energy: 1.765936558987284
Energy: 2.181524289580828
Energy: 1.7666072926226246
Energy: 2.181524289580828
Energy: 1.765142749658573
Energy: 1.7663552754641796
Energy: 1.94418122987084
Energy: 1.7663552754641796
Energy: 1.765142749658573
Energy: 1.7663552754641796
Energy: 1.8043169585007754
Energy: 1.7661234033939148
Energy: 1.8088205258840053
Energy: 1.7661234033939148
Energy: 1.8043169585007754
Energy: 1.7661234033939148
Energy: 1.8035150412111671
Energy: 2.3796382847706545
Energy: 1.7912186291985057
Energy: 2.3796382847706545
Energy: 1.8035150412111671
Energy: 2.3796382847706545
Energy: 1.7661579481675855
Energy: 2.1192366845926363
Energy: 1.7884728621056074
Energy: 2.1192366845926363
Energy: 1.7661579481675855
Energy: 2.1192366845926363
Energy: 1.7650983660208748
Energy: 2.180689082911302
Energy: 1.768951543843083
Energy: 2.180689082911302
Energy: 1.7650983660208748
Energy: 2.180689082911302
Energy: 1.7874087639744893
Energy: 1.7666178816036966
Energy: 1.765265087106688
Energy: 1.7666178816036966
Energy: 1.7874087639744893
Energy: 1.7666178816036966
Energy: 1.8325564005578157
Energy: 2.1193525770483372
Energy: 1.8041304711596868
Energy: 2.1193525770483372
Energy: 1.8325564005578157
Energy: 2.1193525770483372
Energy: 1.7879300382437235
Energy: 2.3734902694751923
Energy: 1.8032100926750652
Energy: 2.3734902694751923
Energy: 1.7879300382437235
Energy: 2.3734902694751923
Energy: 1.7893612004949093
Energy: 1.7652618280050925
Energy: 1.7676366682538602
Energy: 1.7652618280050925
Energy: 1.7893612004949093
Energy: 1.7652618280050925

minimum gb energy = 1.7650983660208748 eV
minimum distance =  2.43404436113522 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.387119759700114
Energy: 2.4698098696175443
Energy: 2.015384697832653
Energy: 2.4698098696175443
Energy: 2.387119759700114
Energy: 2.4698098696175443
Energy: 2.136525313103187
Energy: 1.8642641003504872
Energy: 1.8599251680648528
Energy: 1.8642641003504872
Energy: 2.136525313103187
Energy: 1.8642641003504872
Energy: 1.8875470048346135
Energy: 1.9705312994946282
Energy: 1.9617812112538668
Energy: 1.9705312994946282
Energy: 1.8875470048346135
Energy: 1.9705312994946282
Energy: 1.9721708238609892
Energy: 2.2355116081179864
Energy: 1.9213101233491658
Energy: 2.2355116081179864
Energy: 1.9721708238609892
Energy: 2.2355116081179864
Energy: 1.8696736786544572
Energy: 1.9251144858230866
Energy: 2.158733140545196
Energy: 1.9251144858230866
Energy: 1.8696736786544572
Energy: 1.9251144858230866
Energy: 1.9159222661422384
Energy: 2.2547149433637848
Energy: 1.961578407621901
Energy: 2.2547149433643137
Energy: 1.9159222661422384
Energy: 2.2547149433643137
Energy: 1.8326434026403082
Energy: 1.9198668332524635
Energy: 2.1505939131274197
Energy: 1.919866833252992
Energy: 1.8326434026403082
Energy: 1.9198668332524635
Energy: 2.268949642947803
Energy: 2.0450497877062186
Energy: 1.8677862301648906
Energy: 2.0450497877062186
Energy: 2.268949642947803
Energy: 2.0450497877062186
Energy: 1.9604635401086437
Energy: 2.250747122400735
Energy: 1.8569551463833875
Energy: 2.250747122400735
Energy: 1.9604635401086437
Energy: 2.250747122400735
Energy: 2.2604153970382614
Energy: 1.8999722601478166
Energy: 1.8405713236439005
Energy: 1.8999722601478166
Energy: 2.2604153970382614
Energy: 1.8999722601478166
Energy: 1.9200104828605826
Energy: 2.353112066767509
Energy: 1.9080753363646867
Energy: 2.3531120667669807
Energy: 1.9200104828605826
Energy: 2.353112066767509
Energy: 1.8447276265422063
Energy: 2.23749756337995
Energy: 1.8525870976812882
Energy: 2.23749756337995
Energy: 1.8447276265422063
Energy: 2.23749756337995
Energy: 1.8585753958868514
Energy: 2.046892769384225
Energy: 2.3539494656427933
Energy: 2.046892769384225
Energy: 1.8585753958868514
Energy: 2.046892769384225
Energy: 1.8456752467560609
Energy: 2.4602155731236666
Energy: 2.3395725385909563
Energy: 2.4602155731236666
Energy: 1.8456752467560609
Energy: 2.4602155731236666
Energy: 1.8464431470684401
Energy: 2.2880127861358237
Energy: 1.9083980555656321
Energy: 2.2880127861358237
Energy: 1.8464431470684401
Energy: 2.2880127861358237
Energy: 1.9197727536800935
Energy: 2.3855996454517574
Energy: 1.8528764663145092
Energy: 2.3855996454517574
Energy: 1.9197727536800935
Energy: 2.3855996454517574
Energy: 1.9240507074142748
Energy: 2.2306732168864944
Energy: 1.8740746170843017
Energy: 2.2306732168864944
Energy: 1.9240507074142748
Energy: 2.2306732168864944
Energy: 2.305766050006561
Energy: 2.221426581006428
Energy: 1.8555913188972781
Energy: 2.221426581006428
Energy: 2.305766050006561
Energy: 2.221426581006428
Energy: 2.220381248679683
Energy: 2.180904498824909
Energy: 1.8344790462512013
Energy: 2.180904498824909
Energy: 2.220381248679683
Energy: 2.180904498824909
Energy: 1.833002990650682
Energy: 2.2091810416950914
Energy: 1.8330125007241995
Energy: 2.2091810416950914
Energy: 1.833002990650682
Energy: 2.2091810416950914
Energy: 1.834464293064934
Energy: 2.1806840223485966
Energy: 2.1263153715268794
Energy: 2.1806840223491255
Energy: 1.834464293064934
Energy: 2.1806840223491255
Energy: 1.855621237819017
Energy: 2.2214056402552744
Energy: 2.3055736668790403
Energy: 2.2214056402558024
Energy: 1.855621237819017
Energy: 2.2214056402552744
Energy: 1.8602867701490864
Energy: 2.230708977294242
Energy: 1.9238025789473916
Energy: 2.230708977294242
Energy: 1.8602867701490864
Energy: 2.230708977294242
Energy: 1.8526221944487928
Energy: 2.330337520123314
Energy: 1.9196890468280183
Energy: 2.330337520123314
Energy: 1.8526221944487928
Energy: 2.330337520123314
Energy: 1.9083560595548628
Energy: 2.288226562558964
Energy: 1.8379297265033474
Energy: 2.288226562558964
Energy: 1.9083560595548628
Energy: 2.288226562558964
Energy: 2.339262589057239
Energy: 2.4601714137485153
Energy: 1.84567717041948
Energy: 2.4601714137485153
Energy: 2.339262589057768
Energy: 2.4601714137485153
Energy: 2.3542593869584265
Energy: 2.046645857482279
Energy: 1.858618963413136
Energy: 2.046645857482279
Energy: 2.3542593869584265
Energy: 2.046645857482279
Energy: 1.852588729860592
Energy: 2.237470378932122
Energy: 1.8447123050573946
Energy: 2.237470378932122
Energy: 1.852588729860592
Energy: 2.2374703789315937
Energy: 1.9080318757904857
Energy: 2.3530277089889484
Energy: 1.919842726817191
Energy: 2.3530277089889484
Energy: 1.9080318757904857
Energy: 2.3530277089889484
Energy: 1.840634739028596
Energy: 1.8905812138954707
Energy: 2.2599371272725826
Energy: 1.8905812138954707
Energy: 1.840634739028596
Energy: 1.8905812138954707
Energy: 1.8569261113117284
Energy: 2.2506615143538085
Energy: 1.9610764238548986
Energy: 2.2506615143532795
Energy: 1.8569261113117284
Energy: 2.2506615143532795
Energy: 1.8678298060398688
Energy: 2.0450089887111806
Energy: 2.2689801955634805
Energy: 2.0450089887111806
Energy: 1.8678298060398688
Energy: 2.045008988710701
Energy: 2.150679383104898
Energy: 1.920167548988808
Energy: 1.8470034838136478
Energy: 1.9201675489893366
Energy: 2.1506793831054267
Energy: 1.9201675489893366
Energy: 1.961079823526254
Energy: 2.2547227038026967
Energy: 1.9159059452889025
Energy: 2.2547227038026967
Energy: 1.961079823526254
Energy: 2.2547227038026967
Energy: 2.158543153944408
Energy: 1.9251144858230866
Energy: 1.869693072286586
Energy: 1.9251144858236149
Energy: 2.158543153944408
Energy: 1.9251144858230866
Energy: 1.9210242567319136
Energy: 2.2355059875993017
Energy: 1.9721708549297376
Energy: 2.2355059875993017
Energy: 1.9210242567313853
Energy: 2.2355059875993017
Energy: 1.9615656092477873
Energy: 1.9706510942718638
Energy: 1.8875444832079047
Energy: 1.9706510942718638
Energy: 1.9615656092483158
Energy: 1.9706510942718638
Energy: 1.8599539461227759
Energy: 1.8654361199450091
Energy: 2.136374396143534
Energy: 1.8654361199450091
Energy: 1.8599539461222474
Energy: 1.8654361199450091
Energy: 1.9959322437956561
Energy: 2.4698098696175443
Energy: 2.387119759700114
Energy: 2.4698098696175443
Energy: 1.9959322437084646
Energy: 2.4698098696175443
Energy: 1.859925168065381
Energy: 1.8642641003504872
Energy: 2.136525313103187
Energy: 1.8642641003504872
Energy: 1.8599251680648528
Energy: 1.8642641003504872
Energy: 1.9617812112543953
Energy: 1.9705312994946282
Energy: 1.8875470048346135
Energy: 1.9705312994946282
Energy: 1.961781211254924
Energy: 1.9705312994951565
Energy: 1.9213101233491658
Energy: 2.2355116081179864
Energy: 1.9721708238609892
Energy: 2.2355116081179864
Energy: 1.9213101233491658
Energy: 2.2355116081179864
Energy: 2.158733140545196
Energy: 1.9251144858236149
Energy: 1.8696736786544572
Energy: 1.9251144858230866
Energy: 2.158733140545196
Energy: 1.9251144858236149

minimum gb energy = 1.8326434026403082 eV
minimum distance =  2.35508391385959 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 2.220541866609792
Energy: 2.4371310889018805
Energy: 1.96748150061214
Energy: 2.4371310889018805
Energy: 2.220541866609792
Energy: 2.4371310889018805
Energy: 1.993323931326122
Energy: 1.878875408734305
Energy: 1.8836568693390414
Energy: 1.878875408734305
Energy: 1.993323931326122
Energy: 1.878875408734305
Energy: 1.8897631903903898
Energy: 2.100563850834915
Energy: 2.111912040836037
Energy: 2.100563850834915
Energy: 1.8897631903903898
Energy: 2.100563850834915
Energy: 2.069416391703306
Energy: 2.1075145013851126
Energy: 2.110845305789785
Energy: 2.1075145013851126
Energy: 2.069416391703306
Energy: 2.107514501383392
Energy: 1.8251880229730408
Energy: 1.9105679073521713
Energy: 2.1583160587246817
Energy: 1.9105679073513107
Energy: 1.8251880229730408
Energy: 1.9105679073513107
Energy: 2.1231542916048216
Energy: 2.107350686215816
Energy: 2.1115570056103197
Energy: 2.107350686215816
Energy: 2.1231542916048216
Energy: 2.1073506862166766
Energy: 1.8813142721465856
Energy: 2.0964473899794656
Energy: 1.8603711824463425
Energy: 2.0964473899794656
Energy: 1.8813142721457252
Energy: 2.0964473899794656
Energy: 2.27975000432765
Energy: 1.920734006872677
Energy: 1.8859386471118311
Energy: 1.920734006872677
Energy: 2.27975000432765
Energy: 1.9207340068718166
Energy: 1.9986182401275723
Energy: 2.385696246066972
Energy: 1.8676935393477343
Energy: 2.385696246066972
Energy: 1.9986182401275723
Energy: 2.385696246066972
Energy: 2.097744311656576
Energy: 1.866787369830954
Energy: 1.870411471510451
Energy: 1.866787369830954
Energy: 2.097744311656576
Energy: 1.866787369830954
Energy: 1.8835824946049304
Energy: 2.2738169163562976
Energy: 2.123808787940431
Energy: 2.2738169163562976
Energy: 1.8835824946049304
Energy: 2.2738169163562976
Energy: 1.9045480456954955
Energy: 2.1076995431720897
Energy: 2.1196392504434183
Energy: 2.1076995431720897
Energy: 1.9045480456954955
Energy: 2.1076995431720897
Energy: 1.8273726655905393
Energy: 2.188767801020801
Energy: 2.1249676101821025
Energy: 2.188767801020801
Energy: 1.8273726655905393
Energy: 2.188767801020801
Energy: 2.125373391762524
Energy: 2.331090553589389
Energy: 2.1205667585899066
Energy: 2.331090553589389
Energy: 2.125373391762524
Energy: 2.331090553589389
Energy: 1.8738657004810308
Energy: 2.0957128956839597
Energy: 1.8639476384902744
Energy: 2.0957128956839597
Energy: 1.8738657004810308
Energy: 2.0957128956839597
Energy: 2.1299083032872685
Energy: 2.195191527894331
Energy: 1.872563357422912
Energy: 2.195191527894331
Energy: 2.1299083032881283
Energy: 2.195191527894331
Energy: 2.169857456266949
Energy: 2.434337861748023
Energy: 1.8656396303115486
Energy: 2.434337861748023
Energy: 2.1698574562678092
Energy: 2.434337861748023
Energy: 2.1144115289388656
Energy: 2.167140736196756
Energy: 1.8658716799965702
Energy: 2.167140736196756
Energy: 2.114411528939726
Energy: 2.167140736196756
Energy: 1.8742373950216547
Energy: 2.2742670343671505
Energy: 2.1114903872876
Energy: 2.2742670343671505
Energy: 1.8742373950216547
Energy: 2.2742670343671505
Energy: 1.94688950315707
Energy: 2.1367710586059308
Energy: 2.1105794079758575
Energy: 2.1367710586059308
Energy: 1.94688950315707
Energy: 2.1367710586059308
Energy: 1.831592301359028
Energy: 2.188372853875932
Energy: 2.111565883252893
Energy: 2.188372853875932
Energy: 1.831592301359028
Energy: 2.188372853875932
Energy: 1.870915359016903
Energy: 2.1192473343868157
Energy: 2.1105660401854274
Energy: 2.1192473343868157
Energy: 1.870915359016903
Energy: 2.1192473343868157
Energy: 1.8742829214220824
Energy: 2.1952734893663295
Energy: 1.8663101882609796
Energy: 2.1952734893663295
Energy: 1.8742829214220824
Energy: 2.1952734893663295
Energy: 1.9811512358992898
Energy: 2.119056425643997
Energy: 1.8657184257629638
Energy: 2.119056425643137
Energy: 1.9811512358992898
Energy: 2.119056425643137
Energy: 1.9809837976165876
Energy: 2.2101861150383026
Energy: 1.8661809954200546
Energy: 2.2101861150383026
Energy: 1.980983797617448
Energy: 2.2101861150383026
Energy: 1.8708148699592746
Energy: 1.9182831970068646
Energy: 1.8658689360784146
Energy: 1.9182831970068646
Energy: 1.8708148699592746
Energy: 1.9182831970068646
Energy: 1.8740251196790432
Energy: 2.2745531027439085
Energy: 2.1137534623644294
Energy: 2.2745531027439085
Energy: 1.8740251196790432
Energy: 2.2745531027439085

minimum gb energy = 1.8251880229730408 eV
minimum distance =  2.37526981362643 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 2.097980103509578
Energy: 2.346071075842874
Energy: 2.0770440101259746
Energy: 2.346071075842874
Energy: 2.0979801035089514
Energy: 2.346071075842874
Energy: 1.9278848186046185
Energy: 1.8677349421763412
Energy: 1.8419366117700493
Energy: 1.8677349421763412
Energy: 1.9278848186046185
Energy: 1.8677349421763412
Energy: 1.84799991608329
Energy: 2.010834667816217
Energy: 2.1099094640889446
Energy: 2.010834667816217
Energy: 1.84799991608329
Energy: 2.010834667816217
Energy: 1.9152477774398184
Energy: 2.306287381160446
Energy: 2.0286104891666175
Energy: 2.306287381160446
Energy: 1.9152477774398184
Energy: 2.306287381160446
Energy: 1.8581710709165897
Energy: 1.920050427691437
Energy: 1.976750291125138
Energy: 1.920050427691437
Energy: 1.8581710709165897
Energy: 1.920050427691437
Energy: 1.9576297957021758
Energy: 1.9586353408724393
Energy: 1.871369351551973
Energy: 1.9586353408724393
Energy: 1.9576297957021758
Energy: 1.9586353408724393
Energy: 1.8725970751203556
Energy: 1.9588215378108425
Energy: 1.874821229621509
Energy: 1.9588215378108425
Energy: 1.8725970751203556
Energy: 1.9588215378114695
Energy: 2.010855306788633
Energy: 1.9304567108661863
Energy: 1.8472636486625336
Energy: 1.9304567108655593
Energy: 2.010855306788633
Energy: 1.9304567108655593
Energy: 1.9860549889001273
Energy: 2.3052699233054263
Energy: 1.9708741291540965
Energy: 2.3052699233054263
Energy: 1.9860549889001273
Energy: 2.3052699233054263
Energy: 2.1329125837503726
Energy: 1.9768133403927584
Energy: 1.8489915402440378
Energy: 1.9768133403927584
Energy: 2.1329125837503726
Energy: 1.9768133403927584
Energy: 1.8428138715905344
Energy: 1.9175242247846007
Energy: 2.4015120633772504
Energy: 1.9175242247846007
Energy: 1.8428138715905344
Energy: 1.9175242247846007
Energy: 1.8650149590036313
Energy: 2.3437871173093687
Energy: 2.056162713159531
Energy: 2.3437871173093687
Energy: 1.8650149590036313
Energy: 2.3437871173093687
Energy: 1.8459476676546496
Energy: 1.866817401100647
Energy: 1.9711922691177441
Energy: 1.866817401100647
Energy: 1.8459476676546496
Energy: 1.866817401100647
Energy: 1.9862892743248577
Energy: 2.096456535469208
Energy: 1.8490142801925304
Energy: 2.096456535469208
Energy: 1.9862892743248577
Energy: 2.096456535469208
Energy: 1.9904709018763675
Energy: 2.305589680112904
Energy: 1.8687299314113517
Energy: 2.305589680112904
Energy: 1.9904709018763675
Energy: 2.305589680112904
Energy: 1.9570849648780173
Energy: 2.2297574518727705
Energy: 1.8714586969426517
Energy: 2.2297574518727705
Energy: 1.9570849648780173
Energy: 2.2297574518727705
Energy: 1.8747618872152505
Energy: 2.1292723202134543
Energy: 1.9573701300010349
Energy: 2.129272320212827
Energy: 1.8747618872152505
Energy: 2.129272320212827
Energy: 1.8756646503504608
Energy: 1.9604806101983934
Energy: 1.8753920816105234
Energy: 1.9604806101990204
Energy: 1.8756646503504608
Energy: 1.9604806101990204
Energy: 1.8591320547061037
Energy: 2.1178718199614823
Energy: 1.9862869275374164
Energy: 2.1178718199614823
Energy: 1.8591320547061037
Energy: 2.1178718199614823
Energy: 1.8497301375389519
Energy: 2.3971079786867624
Energy: 1.9878683421172405
Energy: 2.3971079786867624
Energy: 1.8497301375389519
Energy: 2.3971079786867624
Energy: 1.8500575625743134
Energy: 1.9726855149494564
Energy: 1.8639283419680004
Energy: 1.9726855149494564
Energy: 1.8500575625743134
Energy: 1.9726855149494564
Energy: 2.45962649840133
Energy: 2.1000698671662708
Energy: 1.8483172097138176
Energy: 2.1000698671662708
Energy: 2.459626498401957
Energy: 2.1000698671662708
Energy: 2.247530878043068
Energy: 2.3677798564420893
Energy: 1.8649784795183837
Energy: 2.3677798564420893
Energy: 2.2475308780436944
Energy: 2.3677798564420893
Energy: 1.8488730839469614
Energy: 2.088615689641029
Energy: 1.8686388845814752
Energy: 2.088615689641029
Energy: 1.8488730839469614
Energy: 2.088615689641029
Energy: 1.8501886500920053
Energy: 2.1823551459868855
Energy: 1.9893828630881691
Energy: 2.1823551459868855
Energy: 1.8501886500920053
Energy: 2.1823551459868855
Energy: 1.8702114247358377
Energy: 2.0995199892131353
Energy: 1.98607026064984
Energy: 2.0995199892131353
Energy: 1.8702114247358377
Energy: 2.0995199892131353
Energy: 1.8677006593794336
Energy: 2.2312220335225743
Energy: 1.9605789371232927
Energy: 2.2312220335225743
Energy: 1.8677006593788072
Energy: 2.2312220335232014
Energy: 1.9576776678113563
Energy: 2.3674611221286175
Energy: 1.9576784581460385
Energy: 2.3674611221286175
Energy: 1.9576776678113563
Energy: 2.3674611221286175
Energy: 1.960597893621823
Energy: 2.2309110776385492
Energy: 1.8752750906538258
Energy: 2.2309110776385492
Energy: 1.960597893621823
Energy: 2.2309110776385492
Energy: 1.9862482611697254
Energy: 2.099501718250443
Energy: 1.870163305740978
Energy: 2.099501718250443
Energy: 1.9862482611697254
Energy: 2.099501718250443
Energy: 1.9896851064048509
Energy: 2.1823445424800725
Energy: 1.8501901305218873
Energy: 2.1823445424800725
Energy: 1.9896851064048509
Energy: 2.1823445424800725
Energy: 1.868640122700029
Energy: 2.0882013997831512
Energy: 1.848864634508733
Energy: 2.0882013997831512
Energy: 1.868640122700029
Energy: 2.0882013997831512
Energy: 1.8649556254136432
Energy: 2.3677465490704055
Energy: 2.4645269700856285
Energy: 2.3677465490704055
Energy: 1.8649556254136432
Energy: 2.3677465490704055
Energy: 1.8483502062695618
Energy: 2.0998073159083277
Energy: 2.460024325891091
Energy: 2.0998073159083277
Energy: 1.8483502062695618
Energy: 2.0998073159083277
Energy: 1.8639217904323266
Energy: 1.9727585564785348
Energy: 1.850053929158083
Energy: 1.9727585564785348
Energy: 1.8639217904323266
Energy: 1.9727585564785348
Energy: 1.9872356183770497
Energy: 2.3968796562767536
Energy: 1.849852472681667
Energy: 2.3968796562767536
Energy: 1.9872356183770497
Energy: 2.3968796562767536

minimum gb energy = 1.8419366117700493 eV
minimum distance =  2.38624602435503 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 1.721841328095947
Energy: 1.723431844535077
Energy: 1.723766861925495
Energy: 1.723431844535077
Energy: 1.721841328095947
Energy: 1.723431844535077
Energy: 2.1662649406218066
Energy: 1.7257370358800017
Energy: 1.7218897092148846
Energy: 1.7257370358800017
Energy: 2.1662649406218066
Energy: 1.7257370358800017
Energy: 1.7218126947864003
Energy: 1.7256439456897397
Energy: 2.5202645317623027
Energy: 1.7256439456897397
Energy: 1.7218126947864003
Energy: 1.7256439456897397
Energy: 1.723766861925495
Energy: 1.723431844535077
Energy: 1.721841328095947
Energy: 1.723431844535077
Energy: 1.7237668619231916
Energy: 1.723431844535077
Energy: 1.7218897092148846
Energy: 1.7257370358800017
Energy: 2.166264940626413
Energy: 1.7257370358800017
Energy: 1.7218897092148846
Energy: 1.7257370358800017
Energy: 2.5202645317623027
Energy: 1.7256439456897397
Energy: 1.7218126947864003
Energy: 1.7256439456897397
Energy: 2.520264531759999
Energy: 1.7256439456897397
Energy: 1.721841328095947
Energy: 1.723431844535077
Energy: 1.9874684410821721
Energy: 1.723431844535077
Energy: 1.721841328095947
Energy: 1.723431844535077
Energy: 2.16626494063102
Energy: 1.7257370358800017
Energy: 1.7218897092148846
Energy: 1.7257370358800017
Energy: 2.16626494063102
Energy: 1.7257370358800017
Energy: 1.7218126947864003
Energy: 1.7256439456897397
Energy: 2.520264531759999
Energy: 1.7256439456897397
Energy: 1.7218126947864003
Energy: 1.7256439456897397
Energy: 1.8973373013458013
Energy: 1.723431844535077
Energy: 1.721841328095947
Energy: 1.723431844535077
Energy: 1.8973373013458013
Energy: 1.723431844535077

minimum gb energy = 1.7218126947864003 eV
minimum distance =  2.391257553095 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 2.519654761812356
Energy: 2.28608963380034
Energy: 1.999886484250929
Energy: 2.28608963380034
Energy: 2.519654761812356
Energy: 2.28608963380034
Energy: 2.2273902886596146
Energy: 2.050305023207338
Energy: 1.8758190896262366
Energy: 2.050305023207338
Energy: 2.2273902886596146
Energy: 2.050305023207338
Energy: 1.8943678587775357
Energy: 1.8786584360712475
Energy: 2.2168220426455543
Energy: 1.8786584360719363
Energy: 1.8943678587775357
Energy: 1.8786584360712475
Energy: 2.2345649922413773
Energy: 2.304586549894898
Energy: 2.0903871343188567
Energy: 2.3045865498955878
Energy: 2.2345649922413773
Energy: 2.3045865498928304
Energy: 2.043555626611381
Energy: 2.043296527889211
Energy: 2.329339557458393
Energy: 2.043296527889211
Energy: 2.043555626611381
Energy: 2.043296527889211
Energy: 2.117493273746127
Energy: 1.925285499805004
Energy: 1.8449984067535397
Energy: 1.925285499805004
Energy: 2.117493273746127
Energy: 1.925285499805004
Energy: 2.0436869192959115
Energy: 1.9260186530983876
Energy: 2.0292627002910035
Energy: 1.926018653097698
Energy: 2.0436869192952227
Energy: 1.9260186530983876
Energy: 2.0335673227099864
Energy: 2.3942612499925024
Energy: 2.090079402214459
Energy: 2.3942612499925024
Energy: 2.0335673227099864
Energy: 2.3942612499925024
Energy: 1.8825461168478803
Energy: 1.879493428897802
Energy: 2.331687417711943
Energy: 1.879493428897802
Energy: 1.8825461168478803
Energy: 1.879493428897802
Energy: 1.8970723707121397
Energy: 1.9283235860591532
Energy: 1.8731070174526336
Energy: 1.9283235860591532
Energy: 1.8970723707121397
Energy: 1.9283235860591532
Energy: 2.331721347950409
Energy: 2.010440281017703
Energy: 2.0381740323519093
Energy: 2.010440281017703
Energy: 2.331721347950409
Energy: 2.010440281017703
Energy: 2.331558005707732
Energy: 2.029036390945131
Energy: 1.878360307275383
Energy: 2.029036390945131
Energy: 2.331558005707732
Energy: 2.0290363909458202
Energy: 1.8791491832256222
Energy: 1.9406656406446745
Energy: 1.8861045082115646
Energy: 1.9406656406446745
Energy: 1.8791491832256222
Energy: 1.9406656406446745
Energy: 1.8951657927019208
Energy: 2.2432833873636264
Energy: 2.0846304323769425
Energy: 2.2432833873636264
Energy: 1.8951657927019208
Energy: 2.2432833873636264
Energy: 2.0369120266054734
Energy: 2.115171746573761
Energy: 2.081439485295151
Energy: 2.1151717465730724
Energy: 2.0369120266054734
Energy: 2.115171746574451
Energy: 2.032505856601593
Energy: 1.9277796212433553
Energy: 1.845912552378801
Energy: 1.9277796212433553
Energy: 2.032505856601593
Energy: 1.9277796212433553
Energy: 2.0370177614221268
Energy: 2.13820053346342
Energy: 1.8582033965495386
Energy: 2.13820053346342
Energy: 2.0370177614221268
Energy: 2.13820053346342
Energy: 2.0318696105379943
Energy: 2.069589936073182
Energy: 2.0789838728377767
Energy: 2.069589936073182
Energy: 2.0318696105379943
Energy: 2.069589936073182
Energy: 1.896912803908964
Energy: 2.1496587779465983
Energy: 2.084047140895914
Energy: 2.1496587779472875
Energy: 1.896912803908964
Energy: 2.1496587779465983
Energy: 1.889666217028247
Energy: 1.881040504098555
Energy: 1.8820930205618251
Energy: 1.8810405040978657
Energy: 1.889666217028247
Energy: 1.8810405040978657
Energy: 2.4360307384236504
Energy: 2.041497669993498
Energy: 1.88621692112369
Energy: 2.041497669993498
Energy: 2.4360307384236504
Energy: 2.041497669993498
Energy: 2.426923745596285
Energy: 2.120665424209243
Energy: 2.038752086462542
Energy: 2.120665424209243
Energy: 2.426923745596285
Energy: 2.120665424209243
Energy: 1.8874754598567658
Energy: 1.9282618761763621
Energy: 1.8730714178983427
Energy: 1.9282618761770516
Energy: 1.8874754598567658
Energy: 1.9282618761777404
Energy: 1.8927657170361065
Energy: 1.8792017954133977
Energy: 2.382844129055178
Energy: 1.8792017954133977
Energy: 1.8927657170361065
Energy: 1.8792017954133977
Energy: 2.0325103072544377
Energy: 2.0741970225066084
Energy: 2.0886013318739223
Energy: 2.0741970225066084
Energy: 2.0325103072537485
Energy: 2.0741970225066084
Energy: 2.0447055646421037
Energy: 2.031652603080968
Energy: 1.9453871473202073
Energy: 2.031652603080968
Energy: 2.0447055646427934
Energy: 2.031652603080968
Energy: 2.0325016764804373
Energy: 1.9259999536320336
Energy: 1.853026615613262
Energy: 1.9259999536320336
Energy: 2.0325016764804373
Energy: 1.9259999536320336
Energy: 2.0465744886410278
Energy: 2.139998539804449
Energy: 2.3307049455760804
Energy: 2.139998539804449
Energy: 2.0465744886410278
Energy: 2.139998539804449
Energy: 2.0589775189133768
Energy: 1.8778751431444431
Energy: 2.0897805645788954
Energy: 1.8778751431451326
Energy: 2.0589775189133768
Energy: 1.8778751431451326
Energy: 1.8819653395703544
Energy: 1.8819422659452112
Energy: 2.203533893692749
Energy: 1.8819422659452112
Energy: 1.8819653395703544
Energy: 1.8819422659459009
Energy: 2.456951310615606
Energy: 2.0500733254661405
Energy: 1.8753396125150217
Energy: 2.0500733254661405
Energy: 2.456951310615606
Energy: 2.0500733254661405
Energy: 2.3452303317469867
Energy: 2.3522197112315144
Energy: 2.038811689133665
Energy: 2.3522197112315144
Energy: 2.3452303317469867
Energy: 2.3522197112315144
Energy: 2.2283204775931322
Energy: 2.050013140426702
Energy: 1.883773693909018
Energy: 2.050013140426702
Energy: 2.228320477593822
Energy: 2.050013140426702

minimum gb energy = 1.8449984067535397 eV
minimum distance =  2.32100192115985 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 2.1488585739187243
Energy: 2.352700630722352
Energy: 2.4300513625116644
Energy: 2.35270063072137
Energy: 2.1488585739187243
Energy: 2.352700630722352
Energy: 2.3716015251242766
Energy: 2.045077209901404
Energy: 1.9301911324804115
Energy: 2.0450772099004215
Energy: 2.3716015251242766
Energy: 2.045077209901404
Energy: 1.8827083995444795
Energy: 2.0009639545424265
Energy: 2.122272430253914
Energy: 2.0009639545424265
Energy: 1.8827083995444795
Energy: 2.000963954543409
Energy: 2.300544834741388
Energy: 2.1135385572740026
Energy: 2.0620654330598134
Energy: 2.1135385572740026
Energy: 2.300544834741388
Energy: 2.1135385572740026
Energy: 2.0469386974385304
Energy: 2.341618953789506
Energy: 2.3587855581554074
Energy: 2.341618953788524
Energy: 2.0469386974385304
Energy: 2.341618953789506
Energy: 2.042570418810555
Energy: 1.9071182755372058
Energy: 1.8954028783482828
Energy: 1.9071182755372058
Energy: 2.042570418810555
Energy: 1.9071182755372058
Energy: 1.914153018821153
Energy: 1.9126301034061928
Energy: 1.9057261190626773
Energy: 1.9126301034061928
Energy: 1.914153018821153
Energy: 1.9126301034061928
Energy: 2.0298903724367685
Energy: 2.386327084159692
Energy: 2.3430276004924684
Energy: 2.386327084159692
Energy: 2.0298903724367685
Energy: 2.386327084159692
Energy: 2.0291137392251786
Energy: 2.046064502216207
Energy: 2.3411074758885038
Energy: 2.046064502216207
Energy: 2.0291137392251786
Energy: 2.046064502216207
Energy: 2.0318523284804897
Energy: 1.9083531999365797
Energy: 1.9244673126061655
Energy: 1.9083531999365797
Energy: 2.031852328479508
Energy: 1.9083531999355974
Energy: 2.0486196285729648
Energy: 2.1098730374054417
Energy: 1.913112271464869
Energy: 2.1098730374054417
Energy: 2.0486196285729648
Energy: 2.1098730374054417
Energy: 2.0510392230334755
Energy: 1.9727713940088898
Energy: 2.047900271558953
Energy: 1.9727713940088898
Energy: 2.0510392230334755
Energy: 1.9727713940088898
Energy: 1.9092623679346234
Energy: 1.9115100017059616
Energy: 2.048154427681138
Energy: 1.9115100017059616
Energy: 1.9092623679346234
Energy: 1.9115100017059616
Energy: 1.9150422377895007
Energy: 2.0638941391379917
Energy: 2.036076194849262
Energy: 2.0638941391379917
Energy: 1.9150422377895007
Energy: 2.0638941391379917
Energy: 2.440508281969288
Energy: 2.2401763337888982
Energy: 2.032910065899937
Energy: 2.2401763337888982
Energy: 2.440508281969288
Energy: 2.2401763337888982
Energy: 2.439451293299027
Energy: 2.1447999187616418
Energy: 2.03096098026301
Energy: 2.1447999187616418
Energy: 2.439451293299027
Energy: 2.1447999187616418
Energy: 1.9069528213223867
Energy: 1.9143002290639684
Energy: 2.0274902280123204
Energy: 1.9143002290649507
Energy: 1.9069528213223867
Energy: 1.9143002290639684
Energy: 1.8821482049504101
Energy: 1.907799291822327
Energy: 2.0429537810258775
Energy: 1.907799291822327
Energy: 1.8821482049504101
Energy: 1.907799291822327
Energy: 2.417068167309907
Energy: 2.2617772480333556
Energy: 2.057203424194282
Energy: 2.2617772480333556
Energy: 2.417068167309907
Energy: 2.2617772480333556
Energy: 2.0547989783073244
Energy: 2.1116130413399974
Energy: 2.3196567129807044
Energy: 2.1116130413399974
Energy: 2.0547989783073244
Energy: 2.1116130413409797
Energy: 2.2291794817512853
Energy: 1.9320745617107393
Energy: 1.910982627144962
Energy: 1.9320745617107393
Energy: 2.2291794817512853
Energy: 1.9320745617107393
Energy: 1.926208116890153
Energy: 2.0451329821977513
Energy: 2.339027584767737
Energy: 2.0451329821977513
Energy: 1.926208116890153
Energy: 2.0451329821977513
Energy: 2.36213312685446
Energy: 2.451922791659293
Energy: 1.978679130314803
Energy: 2.451922791659293
Energy: 2.36213312685446
Energy: 2.451922791659293

minimum gb energy = 1.8821482049504101 eV
minimum distance =  2.32047560103906 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 2.2028561188887816
Energy: 2.1432006403793284
Energy: 2.5676672169859853
Energy: 2.1432006403793284
Energy: 2.2028561188887816
Energy: 2.1432006403793284
Energy: 2.4224882803959584
Energy: 2.2027412508870494
Energy: 1.90946019596724
Energy: 2.2027412508870494
Energy: 2.4224882803959584
Energy: 2.2027412508870494
Energy: 1.896718585963607
Energy: 1.9427153303239484
Energy: 2.298020027149456
Energy: 1.9427153303233253
Energy: 1.896718585963607
Energy: 1.9427153303239484
Energy: 1.9602941531327163
Energy: 2.1085582229682895
Energy: 1.9315402732398428
Energy: 2.1085582229682895
Energy: 1.9602941531327163
Energy: 2.1085582229682895
Energy: 2.1156905720578534
Energy: 2.3892299596073854
Energy: 2.1013609170100325
Energy: 2.3892299596073854
Energy: 2.1156905720578534
Energy: 2.3892299596073854
Energy: 2.1339932973626974
Energy: 2.133093317511254
Energy: 1.9009009862015296
Energy: 2.133093317511877
Energy: 2.1339932973626974
Energy: 2.133093317511877
Energy: 1.8965660969265326
Energy: 1.890158506998605
Energy: 1.8972551535064468
Energy: 1.890158506998605
Energy: 1.8965660969265326
Energy: 1.890158506998605
Energy: 1.9059338133301378
Energy: 1.878879637470749
Energy: 2.116102336282843
Energy: 1.8788796374670107
Energy: 1.9059338133301378
Energy: 1.8788796374682566
Energy: 2.093966179203715
Energy: 2.1338285871014175
Energy: 2.1283926270955478
Energy: 2.1338285871014175
Energy: 2.093966179203715
Energy: 2.1338285871014175
Energy: 1.923125294811973
Energy: 2.015482853240953
Energy: 1.8816731659859276
Energy: 2.015482853240953
Energy: 1.923125294811973
Energy: 2.015482853240953
Energy: 1.8752677664571429
Energy: 2.0804605488913595
Energy: 1.9043810405329387
Energy: 2.0804605488913595
Energy: 1.8752677664565198
Energy: 2.0804605488913595
Energy: 1.8883189349045222
Energy: 1.9558172754073548
Energy: 2.4226224858130343
Energy: 1.9558172754073548
Energy: 1.8883189349045222
Energy: 1.9558172754073548
Energy: 2.1141045452916423
Energy: 2.3269721953548115
Energy: 2.1850989799893945
Energy: 2.3269721953548115
Energy: 2.1141045452916423
Energy: 2.326972195356057
Energy: 1.9093553812504922
Energy: 2.1163172962198176
Energy: 1.8789971720528187
Energy: 2.1163172962198176
Energy: 1.9093553812504922
Energy: 2.1163172962198176
Energy: 2.156727078189195
Energy: 1.9425292417058238
Energy: 1.8954281275093496
Energy: 1.9425292417058238
Energy: 2.1567270781898182
Energy: 1.9425292417058238
Energy: 1.9316203814667257
Energy: 2.1795993169557852
Energy: 2.3941739775442574
Energy: 2.1795993169557852
Energy: 1.9316203814667257
Energy: 2.1795993169557852
Energy: 2.504650884380478
Energy: 2.0995401646818643
Energy: 2.1388543323164955
Energy: 2.099540164681241
Energy: 2.504650884379855
Energy: 2.0995401646818643
Energy: 1.8871823879962346
Energy: 1.8894284720698882
Energy: 2.321736781592926
Energy: 1.8894284720698882
Energy: 1.8871823879962346
Energy: 1.889428472070511
Energy: 1.9879486798834731
Energy: 1.901137735368571
Energy: 1.9007241877870262
Energy: 1.901137735368571
Energy: 1.9879486798834731
Energy: 1.901137735368571
Energy: 2.165406952532198
Energy: 2.1107646873361587
Energy: 1.895203947235702
Energy: 2.1107646873361587
Energy: 2.165406952532198
Energy: 2.1107646873361587
Energy: 2.3998121968155965
Energy: 2.182188134524477
Energy: 1.937515589645494
Energy: 2.182188134524477
Energy: 2.3998121968155965
Energy: 2.182188134524477
Energy: 1.8754137183635167
Energy: 1.88876295569298
Energy: 2.0957276344009395
Energy: 1.88876295569298
Energy: 1.8754137183635167
Energy: 1.88876295569298
Energy: 1.8945827068534853
Energy: 2.0847719187912532
Energy: 1.915605709247443
Energy: 2.0847719187912532
Energy: 1.8945827068534853
Energy: 2.0847719187918763
Energy: 2.185504335503107
Energy: 2.0959007050387077
Energy: 1.8859648938759963
Energy: 2.0959007050387077
Energy: 2.185504335503107
Energy: 2.0959007050387077
Energy: 2.4323266948092126
Energy: 1.9571092038323648
Energy: 1.8760921232455359
Energy: 1.9571092038323648
Energy: 2.4323266948092126
Energy: 1.9571092038323648
Energy: 1.906719939882273
Energy: 2.0811456370450343
Energy: 1.888886222559091
Energy: 2.0811456370456574
Energy: 1.90671993988165
Energy: 2.0811456370450343
Energy: 1.878021064615483
Energy: 1.8903640046986738
Energy: 2.0924979010974867
Energy: 1.8903640046986738
Energy: 1.878021064615483
Energy: 1.8903640046986738
Energy: 2.13465328078184
Energy: 2.102075377393206
Energy: 1.9242130056795843
Energy: 2.102075377393206
Energy: 2.134653280781217
Energy: 2.102075377393206
Energy: 2.1157361653155804
Energy: 2.1145152549549393
Energy: 1.905036283850246
Energy: 2.1145152549549393
Energy: 2.1157361653155804
Energy: 2.1145152549543162
Energy: 1.89682680382
Energy: 1.9019382039753872
Energy: 1.8872629399198722
Energy: 1.9019382039753872
Energy: 1.89682680382
Energy: 1.9019382039753872
Energy: 1.8965485301605125
Energy: 2.132868079507716
Energy: 2.395710025625896
Energy: 2.132868079507716
Energy: 1.8965485301605125
Energy: 2.132868079507716
Energy: 2.101574570925742
Energy: 2.38171173091947
Energy: 2.1653776599548773
Energy: 2.3817117309188474
Energy: 2.101574570925742
Energy: 2.3817117309188474
Energy: 1.93325654932456
Energy: 2.1795542870608386
Energy: 2.434389192403819
Energy: 2.1795542870608386
Energy: 1.93325654932456
Energy: 2.1795542870608386
Energy: 2.324553296662816
Energy: 1.9425705038035337
Energy: 1.8989571455573384
Energy: 1.9425705038035337
Energy: 2.324553296662816
Energy: 1.9425705038035337
Energy: 1.9100876577537345
Energy: 1.8922955963476313
Energy: 2.261149888936942
Energy: 1.8922955963476313
Energy: 1.9100876577537345
Energy: 1.8922955963476313
Energy: 2.1146640818857643
Energy: 2.4002785452112514
Energy: 2.2255004354347028
Energy: 2.4002785452106283
Energy: 2.1146640818863878
Energy: 2.4002785452106283
Energy: 1.9157083598197218
Energy: 2.1724929919956826
Energy: 2.425901768622547
Energy: 2.1724929919956826
Energy: 1.9157083598197218
Energy: 2.1724929919944365

minimum gb energy = 1.8752677664565198 eV
minimum distance =  2.34125964975309 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.8034428254914194
Energy: 1.7159206224114554
Energy: 2.481255391307085
Energy: 1.7159206224114554
Energy: 1.8034428254914194
Energy: 1.7159206224114554
Energy: 2.3353513431168054
Energy: 1.6602988398802538
Energy: 1.7524644039687995
Energy: 1.6602988398802538
Energy: 2.3353513431168054
Energy: 1.6602988398802538
Energy: 1.8004993925516404
Energy: 1.8786881458417801
Energy: 2.029740533415916
Energy: 1.8786881458417801
Energy: 1.8004993925516404
Energy: 1.8786881458417801
Energy: 2.33663411843593
Energy: 1.6597338727783717
Energy: 1.752160793724791
Energy: 1.6597338727783717
Energy: 2.33663411843593
Energy: 1.6597338727783717
Energy: 1.799046416827978
Energy: 1.6530969087142593
Energy: 1.7534554634204755
Energy: 1.6530969087142593
Energy: 1.799046416827978
Energy: 1.6530969087142593
Energy: 1.803220726337579
Energy: 1.699667277789189
Energy: 1.7625834727073184
Energy: 1.699667277789189
Energy: 1.803220726337579
Energy: 1.699667277789189
Energy: 2.3759952673104476
Energy: 1.6606937727778064
Energy: 1.7585972542979826
Energy: 1.6606937727795077
Energy: 2.3759952673104476
Energy: 1.6606937727778064
Energy: 1.8047482058306854
Energy: 1.6535375808770505
Energy: 1.7609930600862422
Energy: 1.6535375808770505
Energy: 1.8047482058306854
Energy: 1.6535375808770505
Energy: 2.3407403026513496
Energy: 1.6797757055925768
Energy: 1.7590461532332682
Energy: 1.6797757055925768
Energy: 2.3407403026513496
Energy: 1.6797757055925768
Energy: 1.8125696902194592
Energy: 2.2198668746876553
Energy: 1.7535714950621966
Energy: 2.2198668746876553
Energy: 1.8125696902194592
Energy: 2.2198668746876553
Energy: 2.481990037922307
Energy: 1.661578911267521
Energy: 1.7612779244793566
Energy: 1.661578911267521
Energy: 2.481990037922307
Energy: 1.661578911267521
Energy: 1.7934175529508931
Energy: 1.878395668586759
Energy: 2.3516174536558414
Energy: 1.878395668586759
Energy: 1.7934175529508931
Energy: 1.878395668586759
Energy: 2.482148083684932
Energy: 1.661568073730521
Energy: 1.7612599331242504
Energy: 1.661568073730521
Energy: 2.482148083684932
Energy: 1.661568073730521
Energy: 1.8125607578653191
Energy: 2.2198166157919816
Energy: 1.753540407518763
Energy: 2.2198166157919816
Energy: 1.8125607578653191
Energy: 2.2198166157919816

minimum gb energy = 1.6530969087142593 eV
minimum distance =  2.37599069256586 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 2.361263132994885
Energy: 2.040385602579442
Energy: 2.3803758495842255
Energy: 2.040385602580937
Energy: 2.361263132994885
Energy: 2.0403856025801894
Energy: 2.2190316691543703
Energy: 2.237593973424709
Energy: 2.0642906554433185
Energy: 2.237593973424709
Energy: 2.2190316691551173
Energy: 2.237593973424709
Energy: 2.0549658803281985
Energy: 2.1420649710559427
Energy: 2.0534993455319235
Energy: 2.1420649710559427
Energy: 2.0549658803281985
Energy: 2.1420649710559427
Energy: 2.0830417537619597
Energy: 2.053663980233984
Energy: 2.054601553581525
Energy: 2.053663980233984
Energy: 2.0830417537619597
Energy: 2.053663980233984
Energy: 2.222617937914723
Energy: 2.239598415558282
Energy: 2.08258048792486
Energy: 2.239598415558282
Energy: 2.222617937914723
Energy: 2.239598415558282
Energy: 2.0980029549498225
Energy: 2.2706751036663433
Energy: 2.2211765057421586
Energy: 2.2706751036663433
Energy: 2.0980029549498225
Energy: 2.2706751036663433
Energy: 2.08113439367611
Energy: 2.2740299136326305
Energy: 2.1074029698779753
Energy: 2.274029913631883
Energy: 2.08113439367611
Energy: 2.274029913631883
Energy: 2.060298358894282
Energy: 2.0285181692300016
Energy: 2.1319804596473406
Energy: 2.0285181692300016
Energy: 2.060298358894282
Energy: 2.0285181692300016
Energy: 2.218432697825051
Energy: 2.1170539839343103
Energy: 2.054965854777508
Energy: 2.1170539839343103
Energy: 2.218432697825051
Energy: 2.1170539839335625
Energy: 2.054884310453889
Energy: 2.238791333199778
Energy: 2.164648754218402
Energy: 2.238791333199778
Energy: 2.054884310453889
Energy: 2.238791333199778
Energy: 2.19552608468363
Energy: 2.039311744386823
Energy: 2.267367882428917
Energy: 2.039311744386823
Energy: 2.19552608468363
Energy: 2.039311744386823
Energy: 2.0589593049111166
Energy: 2.2239095353721896
Energy: 2.2687004035331366
Energy: 2.223909535371442
Energy: 2.0589593049111166
Energy: 2.2239095353721896
Energy: 2.062915207315175
Energy: 2.1516374165291485
Energy: 2.14722155261292
Energy: 2.1516374165291485
Energy: 2.062915207315175
Energy: 2.1516374165291485
Energy: 2.085972861179451
Energy: 2.1176461439494365
Energy: 2.086159994891072
Energy: 2.1176461439494365
Energy: 2.085972861179451
Energy: 2.1176461439494365
Energy: 2.055359910755571
Energy: 2.414701655577399
Energy: 2.2178481145633806
Energy: 2.414701655578147
Energy: 2.055359910755571
Energy: 2.414701655577399
Energy: 2.2420997031093375
Energy: 2.273331169317848
Energy: 2.1126039854198444
Energy: 2.273331169317848
Energy: 2.2420997031093375
Energy: 2.273331169317848
Energy: 2.1074139487369923
Energy: 2.2731583763768617
Energy: 2.2180813167946156
Energy: 2.273158376377609
Energy: 2.1074139487369923
Energy: 2.2731583763753673
Energy: 2.2210462582196158
Energy: 2.414809696782856
Energy: 2.054601630093269
Energy: 2.414809696782856
Energy: 2.221046258218868
Energy: 2.414809696782856
Energy: 2.0814272619595675
Energy: 2.138221348487757
Energy: 2.0831875450104334
Energy: 2.138221348487757
Energy: 2.0814272619595675
Energy: 2.138221348487757
Energy: 2.052054101543629
Energy: 2.151192092733561
Energy: 2.0543039733119333
Energy: 2.151192092733561
Energy: 2.052054101543629
Energy: 2.151192092733561
Energy: 2.267630501469827
Energy: 2.224273272875399
Energy: 2.0558777281207186
Energy: 2.224273272875399
Energy: 2.267630501469827
Energy: 2.224273272875399
Energy: 2.267451153704886
Energy: 2.0165871960182296
Energy: 2.2382712748231164
Energy: 2.0165871960189765
Energy: 2.267451153704138
Energy: 2.0165871960189765
Energy: 2.1611047296722843
Energy: 2.239158529017858
Energy: 2.0781827183954382
Energy: 2.239158529017858
Energy: 2.1611047296722843
Energy: 2.239158529017858
Energy: 2.054787040792919
Energy: 2.117519817817523
Energy: 2.217818564439517
Energy: 2.117519817817523
Energy: 2.054787040792919
Energy: 2.117519817817523
Energy: 2.132129117326635
Energy: 2.029683260601961
Energy: 2.0591282442648025
Energy: 2.029683260601961
Energy: 2.132129117326635
Energy: 2.029683260601961
Energy: 2.104729702040582
Energy: 2.193543388675768
Energy: 2.0811092290367217
Energy: 2.193543388720573
Energy: 2.104729702040582
Energy: 2.193543388701177
Energy: 2.2182850481319702
Energy: 2.266580259352716
Energy: 2.2230417857867955
Energy: 2.2665802593519686
Energy: 2.2182850481319702
Energy: 2.2665802593519686
Energy: 2.081481971751615
Energy: 2.247330041704396
Energy: 2.097843460243615
Energy: 2.247330041704396
Energy: 2.081481971751615
Energy: 2.247330041704396
Energy: 2.056093562165609
Energy: 2.042655409314959
Energy: 2.0829071905393146
Energy: 2.042655409314959
Energy: 2.056093562165609
Energy: 2.042655409314959
Energy: 2.054922931785068
Energy: 2.142199469743355
Energy: 2.0555894718772345
Energy: 2.142199469743355
Energy: 2.054922931785068
Energy: 2.142199469743355
Energy: 2.0677798452741056
Energy: 2.238436177678357
Energy: 2.2189373252821594
Energy: 2.238436177678357
Energy: 2.0677798452741056
Energy: 2.238436177678357

minimum gb energy = 2.0165871960182296 eV
minimum distance =  2.50964025895317 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 2.1324045601364787
Energy: 2.1188306966588804
Energy: 2.3534105662309166
Energy: 2.1188306966588804
Energy: 2.1324045601364787
Energy: 2.1188306966588804
Energy: 2.079188897520537
Energy: 2.1004975032498754
Energy: 2.073961837949202
Energy: 2.1004975032498754
Energy: 2.079188897520537
Energy: 2.1004975032498754
Energy: 2.0651225477478565
Energy: 2.129211992330438
Energy: 2.0752944683368626
Energy: 2.129211992330438
Energy: 2.0651225477478565
Energy: 2.129211992330438
Energy: 2.0751687914560195
Energy: 2.418060146198361
Energy: 2.075120482670591
Energy: 2.418060146198361
Energy: 2.0751687914560195
Energy: 2.418060146198361
Energy: 2.075265855211192
Energy: 2.129173372043356
Energy: 2.077275672883408
Energy: 2.129173372043356
Energy: 2.075265855211192
Energy: 2.129173372043356
Energy: 2.074231951477523
Energy: 2.109617611462501
Energy: 2.0791370348726805
Energy: 2.109617611462501
Energy: 2.074231951477523
Energy: 2.109617611462501
Energy: 2.3534105662309166
Energy: 2.1188306966588804
Energy: 2.1324045601364787
Energy: 2.1188306966588804
Energy: 2.3534105662309166
Energy: 2.1188306966588804
Energy: 2.0739618379478726
Energy: 2.1686420346286566
Energy: 2.079188897520537
Energy: 2.1686420346286566
Energy: 2.073961837949202
Energy: 2.1686420346286566
Energy: 2.0752944683368626
Energy: 2.129211992330438
Energy: 2.0651225477478565
Energy: 2.129211992330438
Energy: 2.0752944683368626
Energy: 2.129211992330438
Energy: 2.075120482670591
Energy: 2.1791548181881932
Energy: 2.0751687914560195
Energy: 2.1791548181881932
Energy: 2.075120482670591
Energy: 2.1791548181868627
Energy: 2.077275672883408
Energy: 2.129173372043356
Energy: 2.075265855211192
Energy: 2.129173372043356
Energy: 2.077275672883408
Energy: 2.129173372043356
Energy: 2.0791370348726805
Energy: 2.109617611462501
Energy: 2.074231951477523
Energy: 2.109617611462501
Energy: 2.0791370348726805
Energy: 2.109617611462501
Energy: 2.1324045601364787
Energy: 2.1188306966588804
Energy: 2.5189593355764184
Energy: 2.1188306966588804
Energy: 2.1324045601364787
Energy: 2.1188306966588804
Energy: 2.079188897520537
Energy: 2.109632315096298
Energy: 2.073961837949202
Energy: 2.109632315096298
Energy: 2.079188897520537
Energy: 2.109632315096298
Energy: 2.0651225477478565
Energy: 2.129211992330438
Energy: 2.0752944683368626
Energy: 2.129211992330438
Energy: 2.0651225477478565
Energy: 2.129211992330438
Energy: 2.0751687914560195
Energy: 2.1791548181868627
Energy: 2.075120482670591
Energy: 2.1791548181868627
Energy: 2.0751687914560195
Energy: 2.1791548181868627
Energy: 2.075265855211192
Energy: 2.129173372043356
Energy: 2.077275672883408
Energy: 2.129173372043356
Energy: 2.075265855211192
Energy: 2.129173372043356

minimum gb energy = 2.0651225477478565 eV
minimum distance =  2.45748551528743 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 2.31061662815633
Energy: 2.0057221182248495
Energy: 2.20352127528529
Energy: 2.0057221182248495
Energy: 2.31061662815633
Energy: 2.0057221182248495
Energy: 2.1367182622146137
Energy: 2.3487963598100077
Energy: 2.0040267242143894
Energy: 2.3487963598100077
Energy: 2.136718262213528
Energy: 2.348796359808971
Energy: 2.0195131265548922
Energy: 2.216854545034589
Energy: 2.0060775506583437
Energy: 2.216854545034589
Energy: 2.0195131265548922
Energy: 2.216854545034589
Energy: 2.028713070105518
Energy: 2.044571210580924
Energy: 2.1868064286908577
Energy: 2.044571210580924
Energy: 2.028713070105518
Energy: 2.044571210580924
Energy: 2.138272465658795
Energy: 2.1648849483781305
Energy: 2.007529266654087
Energy: 2.1648849483781305
Energy: 2.138272465658795
Energy: 2.1648849483781305
Energy: 2.028765370857968
Energy: 2.04387825517879
Energy: 2.0148265095720617
Energy: 2.04387825517879
Energy: 2.028765370857968
Energy: 2.04387825517879
Energy: 2.041576842702094
Energy: 2.275635932275676
Energy: 2.0078766527585334
Energy: 2.275635932275676
Energy: 2.041576842702094
Energy: 2.275635932275676
Energy: 2.136640952171109
Energy: 2.358420683112188
Energy: 2.01414928799022
Energy: 2.358420683112188
Energy: 2.136640952171109
Energy: 2.358420683112188
Energy: 2.1440563408088984
Energy: 2.2641678459320085
Energy: 2.1851894537413936
Energy: 2.2641678459320085
Energy: 2.1440563408088984
Energy: 2.2641678459320085
Energy: 2.0300192752953765
Energy: 2.0210579252134213
Energy: 2.023696940529821
Energy: 2.0210579252134213
Energy: 2.0300192752953765
Energy: 2.0210579252134213
Energy: 2.0208420209975775
Energy: 2.069278634985421
Energy: 2.1631496164443242
Energy: 2.069278634985421
Energy: 2.0208420209975775
Energy: 2.069278634985421
Energy: 2.0184222292438996
Energy: 2.044055763497626
Energy: 2.2090800638999006
Energy: 2.044055763497626
Energy: 2.0184222292438996
Energy: 2.044055763497626
Energy: 2.020773031782902
Energy: 2.06094267476541
Energy: 2.181929452931112
Energy: 2.06094267476541
Energy: 2.020773031782902
Energy: 2.06094267476541
Energy: 2.0180129305299053
Energy: 2.0408746812220473
Energy: 2.1822134756819223
Energy: 2.0408746812220473
Energy: 2.0180129305299053
Energy: 2.0408746812220473
Energy: 2.204033681444202
Energy: 2.0209083654931383
Energy: 2.0214559776229875
Energy: 2.0209083654931383
Energy: 2.204033681444202
Energy: 2.0209083654931383
Energy: 2.1392551321135014
Energy: 2.2662901965994315
Energy: 2.1637657622208883
Energy: 2.2662901965994315
Energy: 2.1392551321135014
Energy: 2.2662901965994315
Energy: 2.1367286960775465
Energy: 2.269461621386683
Energy: 2.0972773458393834
Energy: 2.269461621386683
Energy: 2.1367286960775465
Energy: 2.269461621386683
Energy: 2.328405496864796
Energy: 2.2763149216098184
Energy: 2.0238365211090223
Energy: 2.2763149216098184
Energy: 2.328405496864796
Energy: 2.2763149216098184
Energy: 2.0218703021285513
Energy: 2.0436659357477107
Energy: 2.077314052373387
Energy: 2.0436659357477107
Energy: 2.0218703021285513
Energy: 2.0436659357477107
Energy: 2.0290814278882894
Energy: 2.1647408215182726
Energy: 2.0252127347239464
Energy: 2.1647408215182726
Energy: 2.0290814278872036
Energy: 2.1647408215182726
Energy: 2.02207411353321
Energy: 2.0438537505312775
Energy: 2.186543799460344
Energy: 2.0438537505312775
Energy: 2.02207411353321
Energy: 2.0438537505312775

minimum gb energy = 2.0040267242143894 eV
minimum distance =  2.45701085195099 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 2.1376094574276387
Energy: 1.9966353448066108
Energy: 2.2214539570436
Energy: 1.9966353448066108
Energy: 2.1376094574276387
Energy: 1.9966353448066108
Energy: 1.982342131650804
Energy: 1.9832078075915525
Energy: 1.9712554440049788
Energy: 1.9832078075915525
Energy: 1.982342131650804
Energy: 1.9832078075915525
Energy: 1.9881820301442006
Energy: 1.98975987383182
Energy: 1.9717623523723586
Energy: 1.98975987383182
Energy: 1.9881820301442006
Energy: 1.9897598738309046
Energy: 1.97097237720076
Energy: 2.219437153888722
Energy: 2.1529090355618377
Energy: 2.219437153888722
Energy: 1.97097237720076
Energy: 2.219437153888722
Energy: 1.982503854021713
Energy: 2.095067634926498
Energy: 1.9708566923648354
Energy: 2.095067634926498
Energy: 1.982503854021713
Energy: 2.095067634926498
Energy: 1.9878868708179116
Energy: 1.9876703007151113
Energy: 1.987914427463896
Energy: 1.9876703007151113
Energy: 1.9878868708179116
Energy: 1.9876703007151113
Energy: 1.9709667326969407
Energy: 2.218790724640198
Energy: 1.9716170834671483
Energy: 2.218790724640198
Energy: 1.9709667326969407
Energy: 2.218790724640198
Energy: 1.9713489330114127
Energy: 2.455830661658783
Energy: 1.971304920759815
Energy: 2.455830661658783
Energy: 1.9713489330114127
Energy: 2.455830661658783
Energy: 2.0696108388799566
Energy: 2.162569123347643
Energy: 2.153262389588416
Energy: 2.162569123347643
Energy: 2.0696108388799566
Energy: 2.162569123347643
Energy: 1.9706600883064116
Energy: 2.3772766604586413
Energy: 2.0447465896487396
Energy: 2.3772766604586413
Energy: 1.9706600883064116
Energy: 2.3772766604586413
Energy: 1.9706906820074435
Energy: 2.377263911673191
Energy: 2.04496715012727
Energy: 2.377263911673191
Energy: 1.9706906820074435
Energy: 2.377263911673191
Energy: 2.069620281255382
Energy: 2.1624727311882452
Energy: 2.153216136875177
Energy: 2.1624727311882452
Energy: 2.069620281255382
Energy: 2.1624727311882452
Energy: 1.9713595768594658
Energy: 2.455795327326749
Energy: 1.9711357673350396
Energy: 2.455795327326749
Energy: 1.9713595768594658
Energy: 2.455795327326749
Energy: 1.9710403400630416
Energy: 2.218471088183913
Energy: 1.9716430971736811
Energy: 2.218471088183913
Energy: 1.9710403400630416
Energy: 2.218471088183913
Energy: 1.987896138354455
Energy: 1.987597362055526
Energy: 1.9878915073596148
Energy: 1.987597362055526
Energy: 1.9878961383535392
Energy: 1.987597362055526
Energy: 1.9822496907207847
Energy: 2.095067634926498
Energy: 1.9707449381782671
Energy: 2.095067634925582
Energy: 1.9822496907207847
Energy: 2.095067634926498
Energy: 1.9710734016449123
Energy: 2.219401600244131
Energy: 2.018981257237726
Energy: 2.219401600244131
Energy: 1.9710734016449123
Energy: 2.219401600244131
Energy: 1.9881577941811373
Energy: 1.9891429639475233
Energy: 1.9714306905033259
Energy: 1.9891429639484386
Energy: 1.9881577941811373
Energy: 1.9891429639475233
Energy: 1.9822589216835662
Energy: 1.9837213257745898
Energy: 1.9713925267449288
Energy: 1.9837213257745898
Energy: 1.9822589216835662
Energy: 1.9837213257736748
Energy: 2.1376094574276387
Energy: 1.9966353448066108
Energy: 2.2181641383846045
Energy: 1.9966353448066108
Energy: 2.1376094574276387
Energy: 1.9966353448066108
Energy: 1.982342131650804
Energy: 1.9832078075915525
Energy: 1.9712554440049788
Energy: 1.9832078075915525
Energy: 1.9823421316498888
Energy: 1.9832078075915525
Energy: 1.9881820301442006
Energy: 1.98975987383182
Energy: 1.9717623523723586
Energy: 1.9897598738309046
Energy: 1.9881820301442006
Energy: 1.98975987383182
Energy: 1.97097237720076
Energy: 2.2194371538896367
Energy: 2.1529090355618377
Energy: 2.219437153888722
Energy: 1.97097237720076
Energy: 2.2194371538896367
Energy: 1.982503854021713
Energy: 2.095067634925582
Energy: 1.9708566923648354
Energy: 2.095067634926498
Energy: 1.982503854021713
Energy: 2.095067634925582
Energy: 1.9878868708179116
Energy: 1.9876703007151113
Energy: 1.987914427463896
Energy: 1.9876703007160268
Energy: 1.9878868708179116
Energy: 1.9876703007151113

minimum gb energy = 1.9706600883064116 eV
minimum distance =  2.44244225897136 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.997933017303751
Energy: 1.8095353802301555
Energy: 2.057701883189058
Energy: 1.8095353802301555
Energy: 1.997933017303751
Energy: 1.8095353802301555
Energy: 1.917916106919708
Energy: 2.1565008735459856
Energy: 1.7916442339114855
Energy: 2.1565008735459856
Energy: 1.917916106918918
Energy: 2.1565008735459856
Energy: 1.8314633432953584
Energy: 2.217090715955023
Energy: 1.7917440501170552
Energy: 2.217090715955023
Energy: 1.8314633432953584
Energy: 2.217090715955023
Energy: 1.9176967143044024
Energy: 1.9444022181810159
Energy: 1.9420124857133794
Energy: 1.9444022181810159
Energy: 1.9176967143044024
Energy: 1.9444022181810159
Energy: 1.9176984650734297
Energy: 2.098371354830889
Energy: 1.9441111699105549
Energy: 2.098371354830889
Energy: 1.9176984650734297
Energy: 2.098371354830889
Energy: 1.8330789222791473
Energy: 2.07871284467551
Energy: 1.9417116886801378
Energy: 2.07871284467551
Energy: 1.8330789222791473
Energy: 2.07871284467551
Energy: 1.9177390915554473
Energy: 2.187553747541088
Energy: 1.943934060175493
Energy: 2.1875537475402984
Energy: 1.9177390915554473
Energy: 2.187553747541088
Energy: 1.918240843045674
Energy: 2.0792559233862273
Energy: 1.9417829244457818
Energy: 2.0792559233854377
Energy: 1.918240843045674
Energy: 2.0792559233854377
Energy: 1.9176817200544973
Energy: 2.2343001493228223
Energy: 2.00946583732084
Energy: 2.2343001493228223
Energy: 1.9176817200544973
Energy: 2.2343001493228223
Energy: 1.9176208075688503
Energy: 2.182730885321194
Energy: 1.7920411211617955
Energy: 2.182730885321194
Energy: 1.9176208075688503
Energy: 2.182730885321194
Energy: 1.9196641874514928
Energy: 1.9199482113711743
Energy: 1.8532846578694788
Energy: 1.919948211370384
Energy: 1.9196641874514928
Energy: 1.9199482113711743
Energy: 1.8407576460616688
Energy: 1.842806172800788
Energy: 1.7924719328558565
Energy: 1.842806172800788
Energy: 1.8407576460616688
Energy: 1.842806172800788
Energy: 1.8407736648559117
Energy: 2.063320484322028
Energy: 1.7929980436946908
Energy: 2.063320484322028
Energy: 1.8407736648559117
Energy: 2.063320484322028
Energy: 1.8304556585865557
Energy: 1.9196087212580706
Energy: 2.0274204273736385
Energy: 1.9196087212572805
Energy: 1.8304556585865557
Energy: 1.9196087212580706
Energy: 1.9198367611546436
Energy: 2.2353331704039703
Energy: 1.7939408490119069
Energy: 2.2353331704039703
Energy: 1.9198367611546436
Energy: 2.2353331704039703
Energy: 1.917452913854043
Energy: 2.2336209406012886
Energy: 1.7955401836903895
Energy: 2.2336209406012886
Energy: 1.917452913854043
Energy: 2.2336209406012886
Energy: 1.8302848790681445
Energy: 2.080688290327767
Energy: 1.7938659181945138
Energy: 2.080688290326977
Energy: 1.8302848790681445
Energy: 2.080688290326977
Energy: 1.9176313875399649
Energy: 2.0487660390156375
Energy: 1.7919693595255826
Energy: 2.0487660390156375
Energy: 1.9176313875407551
Energy: 2.0487660390156375
Energy: 1.830634685866419
Energy: 2.0799425773422686
Energy: 1.7938686659786807
Energy: 2.0799425773422686
Energy: 1.830634685866419
Energy: 2.0799425773422686
Energy: 1.917403777417673
Energy: 2.2336332006902775
Energy: 1.7953273945776893
Energy: 2.2336332006902775
Energy: 1.917403777417673
Energy: 2.2336332006902775
Energy: 1.9201114031682958
Energy: 2.2353719526212203
Energy: 1.7939440625872858
Energy: 2.2353719526212203
Energy: 1.9201114031682958
Energy: 2.2353719526212203
Energy: 1.830524907569048
Energy: 1.9194745354952127
Energy: 2.027401844559217
Energy: 1.9194745354960026
Energy: 1.830524907569048
Energy: 1.9194745354952127
Energy: 1.840743152015228
Energy: 2.063554562066784
Energy: 1.7930163409274547
Energy: 2.063554562066784
Energy: 1.840743152015228
Energy: 2.0635545620675746
Energy: 1.840954667800698
Energy: 1.8428315586925075
Energy: 1.792475961486088
Energy: 1.8428315586925075
Energy: 1.840954667800698
Energy: 1.8428315586925075
Energy: 1.918731646926273
Energy: 1.9195063214492003
Energy: 1.8788129788147019
Energy: 1.9195063214492003
Energy: 1.918731646926273
Energy: 1.9195063214492003
Energy: 1.9176434431998954
Energy: 2.182716356532365
Energy: 1.7920317523703995
Energy: 2.182716356532365
Energy: 1.9176434431998954
Energy: 2.182716356532365
Energy: 1.9176886518847913
Energy: 2.2345565470440705
Energy: 1.9414830897914468
Energy: 2.2345565470440705
Energy: 1.9176886518847913
Energy: 2.2345565470440705
Energy: 1.9182349178025708
Energy: 2.0795468316519083
Energy: 1.941770439607022
Energy: 2.0795468316519083
Energy: 1.9182349178025708
Energy: 2.0795468316519083
Energy: 1.9177073439014778
Energy: 2.187553747541088
Energy: 1.9438145804203641
Energy: 2.187553747541088
Energy: 1.9177073439014778
Energy: 2.187553747541088

minimum gb energy = 1.7916442339114855 eV
minimum distance =  2.40821561534012 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.9846047322790403
Energy: 1.8066667664630132
Energy: 2.092964622834945
Energy: 1.8066667664630132
Energy: 1.9846047322790403
Energy: 1.8066667664630132
Energy: 1.8080634270356706
Energy: 1.7888933805669183
Energy: 1.8054699419666795
Energy: 1.7888933805669183
Energy: 1.8080634270356706
Energy: 1.7888933805669183
Energy: 1.7929725515205204
Energy: 1.7705823836781782
Energy: 1.8053083564304964
Energy: 1.7705823836781782
Energy: 1.7929725515205204
Energy: 1.7705823836774839
Energy: 1.7725973073740686
Energy: 1.9930871840151352
Energy: 1.7935374346715023
Energy: 1.9930871840151352
Energy: 1.7725973073740686
Energy: 1.9930871840151352
Energy: 1.7704634759433493
Energy: 2.063483400272851
Energy: 1.7850788388626724
Energy: 2.063483400272851
Energy: 1.7704634759433493
Energy: 2.063483400272851
Energy: 1.7968220657646614
Energy: 2.1426444876392274
Energy: 1.7725197418912393
Energy: 2.1426444876392274
Energy: 1.7968220657646614
Energy: 2.1426444876392274
Energy: 1.786003773447835
Energy: 2.186872271227855
Energy: 1.7703478246213562
Energy: 2.186872271227855
Energy: 1.786003773447835
Energy: 2.186872271227855
Energy: 1.7927461234229896
Energy: 2.1146928968007335
Energy: 1.7955411069046647
Energy: 2.1146928968007335
Energy: 1.7927461234229896
Energy: 2.1146928968007335
Energy: 1.7702300202865746
Energy: 2.143027933342956
Energy: 1.7929596380290005
Energy: 2.143027933342956
Energy: 1.7702300202865746
Energy: 2.143027933342956
Energy: 1.7701189035823661
Energy: 2.0178670453928746
Energy: 1.773558445361156
Energy: 2.0178670453928746
Energy: 1.7701189035823661
Energy: 2.0178670453928746
Energy: 1.8318812871055978
Energy: 2.138363686558098
Energy: 1.8673075200746208
Energy: 2.138363686558098
Energy: 1.8318812871049033
Energy: 2.138363686558098
Energy: 1.8057066257757832
Energy: 1.79388039044359
Energy: 1.7727025527920783
Energy: 1.79388039044359
Energy: 1.8057066257757832
Energy: 1.79388039044359
Energy: 1.8053995394381532
Energy: 1.7710696887335902
Energy: 1.770318305425523
Energy: 1.7710696887335902
Energy: 1.8053995394381532
Energy: 1.7710696887335902
Energy: 1.7940508227817666
Energy: 1.8297218401696866
Energy: 1.8052598625853202
Energy: 1.8297218401696866
Energy: 1.7940508227817666
Energy: 1.8297218401696866
Energy: 1.7854535987498128
Energy: 2.0459022639151905
Energy: 1.8053140051979166
Energy: 2.045902263915885
Energy: 1.7854535987498128
Energy: 2.0459022639151905
Energy: 1.8055913534404449
Energy: 1.7709533693734676
Energy: 1.797561588360173
Energy: 1.7709533693727733
Energy: 1.8055913534404449
Energy: 1.7709533693727733
Energy: 1.7704144659345007
Energy: 1.7958925917100046
Energy: 1.7700889741175416
Energy: 1.7958925917100046
Energy: 1.7704144659345007
Energy: 1.7958925917100046
Energy: 1.7963206072689337
Energy: 1.7958348449657018
Energy: 1.7699456915328442
Energy: 1.7958348449657018
Energy: 1.7963206072689337
Energy: 1.7958348449650072
Energy: 1.7876607732459486
Energy: 2.137462681322047
Energy: 1.7988413653848747
Energy: 2.137462681322047
Energy: 1.787660773246643
Energy: 2.137462681322047
Energy: 1.7730230846284214
Energy: 1.874024071396787
Energy: 1.7700379264801624
Energy: 1.874024071396787
Energy: 1.7730230846284214
Energy: 1.874024071396787
Energy: 1.8110014666502197
Energy: 1.7967562241596633
Energy: 1.7932734419807004
Energy: 1.796756224160358
Energy: 1.8110014666502197
Energy: 1.796756224160358
Energy: 1.9923727344963431
Energy: 2.142968468626356
Energy: 1.7699778836225097
Energy: 2.142968468626356
Energy: 1.9923727344963431
Energy: 2.142968468626356
Energy: 1.7856030499497018
Energy: 2.1438929424193054
Energy: 1.7701380679131984
Energy: 2.1438929424193054
Energy: 1.7856030499497018
Energy: 2.1438929424193054
Energy: 1.770300444152427
Energy: 1.936911905728737
Energy: 1.8762951002547228
Energy: 1.9932586749046708
Energy: 1.770300444152427
Energy: 1.9932586749046708
Energy: 1.7702184535527776
Energy: 2.0147459710272577
Energy: 1.7699157382753221
Energy: 2.0147459710272577
Energy: 1.7702184535527776
Energy: 2.0147459710272577
Energy: 1.770600436839598
Energy: 1.7710669010281774
Energy: 1.8053646140385098
Energy: 1.7710669010281774
Energy: 1.770600436839598
Energy: 1.7710669010281774
Energy: 1.8052766990873188
Energy: 1.7967604569149214
Energy: 1.7697948253925007
Energy: 1.7967604569149214
Energy: 1.8052766990873188
Energy: 1.7967604569149214
Energy: 1.805536888317097
Energy: 1.7708305381144513
Energy: 1.772895084757284
Energy: 1.7708305381144513
Energy: 1.805536888317097
Energy: 1.7708305381144513
Energy: 2.0059711753257488
Energy: 1.7706545486203664
Energy: 1.901405988834919
Energy: 1.7706545486203664
Energy: 2.0059711753257488
Energy: 1.7706545486203664
Energy: 1.7699142093465845
Energy: 1.7831602476345074
Energy: 1.7733225541780404
Energy: 1.7831602476345074
Energy: 1.7699142093465845
Energy: 1.7831602476338129
Energy: 1.7701154754482062
Energy: 1.795442389312346
Energy: 1.7930020061634855
Energy: 1.795442389312346
Energy: 1.7701154754482062
Energy: 1.795442389312346
Energy: 1.7707667979646258
Energy: 2.1396254973735265
Energy: 1.7727368402002883
Energy: 2.1396254973735265
Energy: 1.7707667979646258
Energy: 2.1396254973735265
Energy: 1.7700535990757467
Energy: 1.872854481673824
Energy: 1.7858876316374968
Energy: 1.872854481673824
Energy: 1.7700535990757467
Energy: 1.872854481673824

minimum gb energy = 1.7697948253925007 eV
minimum distance =  2.43293645242047 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015651050048747513
Energy: 0.017632511150436906
Energy: 2.050553264450761
Energy: 0.017632511150436906
Energy: 0.015651050048747513
Energy: 0.017632511150436906
Energy: 0.01603202381089296
Energy: 1.3556061751015398
Energy: 0.01603202381089296
Energy: 1.3556061751015398
Energy: 0.01603202381089296
Energy: 1.3556061751015398
Energy: 2.050553264450761
Energy: 0.017632511150436906
Energy: 0.015651050048747513
Energy: 0.017632511150436906
Energy: 2.050553264450761
Energy: 0.017632511150436906
Energy: 0.01603202381089296
Energy: 1.3556061751015398
Energy: 0.01603202381089296
Energy: 1.3556061751015398
Energy: 0.01603202381089296
Energy: 1.3556061751015398

minimum gb energy = 0.015651050048747513 eV
minimum distance =  2.72925196320967 Angstroms
sigma value = 1