Model name: model_name=Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.1599882096052174
cohesive_energy=5.130582657262978
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: -17.2757958404 eV

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

Energy: 0.014699418607379462
Energy: 0.01682691782823528
Energy: 0.017946819484668326
Energy: 2.6723617940244164
Energy: 0.017946819484668326
Energy: 0.01682691782823528
Energy: 0.014699418609249728
Energy: 0.01682691783012704
Energy: 0.017946819484668326
Energy: 2.2991213015050285
Energy: 1.669496643782106
Energy: 0.017095079900416133
Energy: 0.01672910184040022
Energy: 1.6574885505343457
Energy: 0.01672910184040022
Energy: 0.017095079900416133
Energy: 1.669496643782106
Energy: 0.017095079900416133
Energy: 0.01672910184040022
Energy: 1.6574885505343457
Energy: 0.014699418607379462
Energy: 0.01682691782823528
Energy: 0.017946819484668326
Energy: 2.6723617961706227
Energy: 0.017946819484668326
Energy: 0.01682691782823528
Energy: 0.014699418609249728
Energy: 0.01682691783012704
Energy: 0.017946819484668326
Energy: 2.2991213015031366
Energy: 1.669496643782106
Energy: 0.017095079900416133
Energy: 0.01672910184040022
Energy: 1.6574885505343457
Energy: 0.01672910184040022
Energy: 0.017095079900416133
Energy: 1.669496643782106
Energy: 0.017095079900416133
Energy: 0.01672910184040022
Energy: 1.6574885505343457
Energy: 0.014699418607379462
Energy: 0.01682691782823528
Energy: 0.017946819484668326
Energy: 2.2991213015031366
Energy: 0.017946819484668326
Energy: 0.01682691782823528
Energy: 0.014699418609249728
Energy: 0.01682691783012704
Energy: 0.017946819484668326
Energy: 2.2991213015050285
Energy: 1.669496643782106
Energy: 0.017095079900416133
Energy: 0.01672910184040022
Energy: 1.6574885505343457
Energy: 0.01672910184040022
Energy: 0.017095079900416133
Energy: 1.669496643782106
Energy: 0.017095079900416133
Energy: 0.01672910184040022
Energy: 1.6574885505343457
Energy: 0.014699418607379462
Energy: 0.01682691782823528
Energy: 0.017946819484668326
Energy: 2.2991213015031366
Energy: 0.017946819484668326
Energy: 0.01682691782823528
Energy: 0.014699418609249728
Energy: 0.01682691782823528
Energy: 0.017946819484668326
Energy: 2.2991213015031366

minimum gb energy = 0.014699418607379462 eV
minimum distance =  2.35676968635578 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 2.2854730644361854
Energy: 2.211876687190581
Energy: 2.2892319825614527
Energy: 2.3635503326740537
Energy: 2.288477252747349
Energy: 2.211546879897108
Energy: 2.2854730644361854
Energy: 2.211876687195215
Energy: 2.2892319825614527
Energy: 2.379104551175734
Energy: 2.318270557079194
Energy: 2.2004081949972747
Energy: 2.3398368604177344
Energy: 2.3733883509532334
Energy: 2.2567494652483764
Energy: 2.179594240546026
Energy: 2.318270557079194
Energy: 2.200408194992641
Energy: 2.3398368604177344
Energy: 2.3733883509532334
Energy: 2.190191826261634
Energy: 2.233296866545237
Energy: 2.2597136635123123
Energy: 2.290049515465174
Energy: 2.2781756215952247
Energy: 2.2100098317735695
Energy: 2.190191826261634
Energy: 2.233296866545237
Energy: 2.2597136635123123
Energy: 2.290049515465174
Energy: 2.358842099350825
Energy: 2.2282626573165865
Energy: 2.1940869506818172
Energy: 2.2412791441359388
Energy: 2.203863806552149
Energy: 2.2521020813499897
Energy: 2.358842099350825
Energy: 2.2282626573212205
Energy: 2.1940869506818172
Energy: 2.2412791441359388
Energy: 2.1725327059058914
Energy: 2.243017807282341
Energy: 2.2340924030647855
Energy: 2.2164844562988004
Energy: 2.204997201451866
Energy: 2.1772717549733667
Energy: 2.172532705901258
Energy: 2.243017807282341
Energy: 2.2340924030647855
Energy: 2.2164844562988004
Energy: 2.1950203132866557
Energy: 2.224172956633113
Energy: 2.2421559649909644
Energy: 2.223801318476206
Energy: 2.2038627674045173
Energy: 2.2434249292296995
Energy: 2.2249274331898343
Energy: 2.224172956633113
Energy: 2.2421559649909644
Energy: 2.223801318476206
Energy: 2.194141339472757
Energy: 2.193805730599976
Energy: 2.2189292887974976
Energy: 2.2478536622297605
Energy: 2.2054886916055154
Energy: 2.3075610082214943
Energy: 2.194141339472757
Energy: 2.193805730599976
Energy: 2.2189292888021312
Energy: 2.2478536622297605
Energy: 2.2879261625140095
Energy: 2.2884295013671077
Energy: 2.249494364472971
Energy: 2.2488713832615974
Energy: 2.2101113928433573
Energy: 2.1882531044662605
Energy: 2.2042096635209116
Energy: 2.2884295013671077
Energy: 2.2382217923952803
Energy: 2.2488713832615974
Energy: 2.1703404621693605
Energy: 2.339754691519712
Energy: 2.160901907497724
Energy: 2.3660205651975628
Energy: 2.1957973421110046
Energy: 2.397373060217695
Energy: 2.1703404621693605
Energy: 2.339754691519712
Energy: 2.16090190756719
Energy: 2.3660205651975628
Energy: 2.2171892776480133
Energy: 2.278466408320959
Energy: 2.3097879557094414
Energy: 2.3022273610032697
Energy: 2.1930638353357623
Energy: 2.2556700536068557
Energy: 2.2171892776480133
Energy: 2.278466408320959
Energy: 2.3097879557094414
Energy: 2.3022273610032697
Energy: 2.2306763098362365
Energy: 2.256642391391015
Energy: 2.2053608557875233
Energy: 2.24785334894409
Energy: 2.2020730039026755
Energy: 2.244800748460563
Energy: 2.2306763098362365
Energy: 2.256642391391015
Energy: 2.2053608557875233
Energy: 2.24785334894409
Energy: 2.219961475880914
Energy: 2.199376764950303
Energy: 2.242121603193754
Energy: 2.2158611194875233
Energy: 2.1854043333463076
Energy: 2.1698750138965566
Energy: 2.219961475880914
Energy: 2.199376764950303
Energy: 2.2421216031891205
Energy: 2.2158611194875233
Energy: 2.2226307988506164
Energy: 2.2193215135400233
Energy: 2.290096516021415
Energy: 2.21907881479204
Energy: 2.1959225397880777
Energy: 2.331515399856681
Energy: 2.2226307988506164
Energy: 2.2193215135400233
Energy: 2.290096516021415
Energy: 2.21907881479204
Energy: 2.2191106682150283
Energy: 2.290096516021415
Energy: 2.2049812641150432
Energy: 2.2226250880224043
Energy: 2.331929012782586
Energy: 2.1952016774053393
Energy: 2.2191106682150283
Energy: 2.290096516021415
Energy: 2.204981264110409
Energy: 2.2226250880224043
Energy: 2.2167841043958294
Energy: 2.2421337914223423
Energy: 2.198418376863468
Energy: 2.22010151636332
Energy: 2.1706251731017865
Energy: 2.1862358419360026
Energy: 2.2167841043958294
Energy: 2.2421337914223423
Energy: 2.198418376863468
Energy: 2.22010151636332
Energy: 2.2486565961269442
Energy: 2.2053206750882994
Energy: 2.2565369639253565
Energy: 2.231462732952004
Energy: 2.2422014841041684
Energy: 2.2029427694060124
Energy: 2.2486565961269442
Energy: 2.2053206750882994
Energy: 2.2565369639253565
Energy: 2.231462732952004
Energy: 2.3026718999269047
Energy: 2.3104197015597148
Energy: 2.277795865771734
Energy: 2.2119921501536037
Energy: 2.2571665778971837
Energy: 2.197179171030133
Energy: 2.3026718999269047
Energy: 2.3104197015597148
Energy: 2.2777958657671
Energy: 2.2033730572004373
Energy: 2.3657585137487547
Energy: 2.1604701791266243
Energy: 2.3409292957347914
Energy: 2.1699119775262257
Energy: 2.3971438473247013
Energy: 2.1960903663386873
Energy: 2.3657585137487547
Energy: 2.1604701791266243
Energy: 2.3409292957347914
Energy: 2.1699119775262257
Energy: 2.2492867888931096
Energy: 2.2415269017134722
Energy: 2.2889826641659465
Energy: 2.1818293152789483
Energy: 2.1952122707220574
Energy: 2.2101088777437665
Energy: 2.2492867888931096
Energy: 2.2415269017134722
Energy: 2.2889826641659465
Energy: 2.181829315283583
Energy: 2.2481428423880425
Energy: 2.2184359511048006
Energy: 2.193969415798581
Energy: 2.194192992995917
Energy: 2.308413033886132
Energy: 2.206319907822094
Energy: 2.2481428423880425
Energy: 2.2184359511048006
Energy: 2.193969415798581
Energy: 2.194192992995917
Energy: 2.2239933466754054
Energy: 2.242184047337024
Energy: 2.223528121257038
Energy: 2.214410514538262
Energy: 2.2108597017233698
Energy: 2.2439839058101825
Energy: 2.2239933466754054
Energy: 2.242184047337024
Energy: 2.223528121257038
Energy: 2.203489366194769
Energy: 2.216499067060464
Energy: 2.23331497047117
Energy: 2.2429627658340157
Energy: 2.1717044262918987
Energy: 2.1772717549733667
Energy: 2.199457503965498
Energy: 2.216499067060464
Energy: 2.23331497047117
Energy: 2.2429627658340157
Energy: 2.1717044262918987
Energy: 2.240771072707315
Energy: 2.1941893055783876
Energy: 2.2292935311631474
Energy: 2.3503476012719595
Energy: 2.2521519767439493
Energy: 2.2042131725874397
Energy: 2.240771072707315
Energy: 2.1941893055783876
Energy: 2.2292935311631474
Energy: 2.3503476012719595
Energy: 2.290049515465174
Energy: 2.2624549742908924
Energy: 2.2445012191906635
Energy: 2.189809307152884
Energy: 2.199698716456456
Energy: 2.278113755908106
Energy: 2.290049515465174
Energy: 2.2624549742908924
Energy: 2.202440448966733
Energy: 2.189809307152884
Energy: 2.3723176800177526
Energy: 2.338738023680348
Energy: 2.200306930111361
Energy: 2.3187201642754216
Energy: 2.178795986503378
Energy: 2.2567895097078683
Energy: 2.3723176800177526
Energy: 2.338738023680348
Energy: 2.200306930111361
Energy: 2.3187201642754216
Energy: 2.379104551175734
Energy: 2.288477252747349
Energy: 2.211546879897108
Energy: 2.2854730644361854
Energy: 2.211876687190581
Energy: 2.2892319825614527
Energy: 2.379104551175734
Energy: 2.2884772527427155
Energy: 2.211546879897108
Energy: 2.2854730644361854
Energy: 2.3733883509532334
Energy: 2.2567494652483764
Energy: 2.179594240546026
Energy: 2.318270557079194
Energy: 2.200408194992641
Energy: 2.3398368604223685
Energy: 2.3733883509532334
Energy: 2.2567494652483764
Energy: 2.179594240546026
Energy: 2.318270557079194
Energy: 2.290049515465174
Energy: 2.2781756215952247
Energy: 2.210009831768936
Energy: 2.190191826261634
Energy: 2.2297836959939166
Energy: 2.2597136635123123
Energy: 2.290049515465174
Energy: 2.2781756215952247
Energy: 2.210009831768936
Energy: 2.190191826261634
Energy: 2.2412791441359388
Energy: 2.203863806552149
Energy: 2.252102081345356
Energy: 2.358842099355459
Energy: 2.2282626573212205
Energy: 2.194086950686451
Energy: 2.2412791441359388
Energy: 2.203863806552149
Energy: 2.252102081345356
Energy: 2.358842099350825

minimum gb energy = 2.1604701791266243 eV
minimum distance =  2.45114461448611 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.535105195496969
Energy: 2.3585333863187725
Energy: 2.3178141578091997
Energy: 2.4275272865525115
Energy: 2.4512229372846197
Energy: 2.5648325095578284
Energy: 2.535105195496969
Energy: 2.3585333863797806
Energy: 2.3178141578112146
Energy: 2.427527286471153
Energy: 2.350966085828631
Energy: 2.2385761169579754
Energy: 2.354749518012106
Energy: 2.4302055652962675
Energy: 2.3186175622877374
Energy: 2.1925449041541376
Energy: 2.3509660858261228
Energy: 2.2052892107479405
Energy: 2.354749518012106
Energy: 2.335787096811496
Energy: 2.2132546965913176
Energy: 2.3137249663458794
Energy: 2.202681899072581
Energy: 2.2878712207753535
Energy: 2.30849334307703
Energy: 2.2782073565600602
Energy: 2.2132546965890563
Energy: 2.3137249663481403
Energy: 2.2026818990748422
Energy: 2.2878712207730927
Energy: 2.318414674509621
Energy: 2.3174780560889694
Energy: 2.1996823327035187
Energy: 2.284363466907067
Energy: 2.285024164349528
Energy: 2.2107399414277618
Energy: 2.3184146745073595
Energy: 2.3174780560889694
Energy: 2.199682332705533
Energy: 2.284363466907067
Energy: 2.2687138964484084
Energy: 2.171142080198178
Energy: 2.298771400311079
Energy: 2.3343467534608475
Energy: 2.239352158861992
Energy: 2.2397543679933407
Energy: 2.2687138964484084
Energy: 2.1711420802004393
Energy: 2.298771400311079
Energy: 2.334346753463109
Energy: 2.523597017621666
Energy: 2.363219285395696
Energy: 2.3269875616617868
Energy: 2.3348069243744183
Energy: 2.5064492501467774
Energy: 2.3479730679705852
Energy: 2.5235970176239273
Energy: 2.363219285395696
Energy: 2.3269875616617868
Energy: 2.3348069243744183
Energy: 2.5572116479431943
Energy: 2.404754373392504
Energy: 2.343980406124414
Energy: 2.35402965226436
Energy: 2.3079420613047046
Energy: 2.4562409269800747
Energy: 2.5572116479454556
Energy: 2.404754373392504
Energy: 2.343980405900895
Energy: 2.3540296522618522
Energy: 2.531331544555789
Energy: 2.431345680480087
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Energy: 2.3538566783762414
Energy: 2.256240477927052
Energy: 2.3245354502225855
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Energy: 2.431345680477826
Energy: 2.274658579013741
Energy: 2.3538566783785027
Energy: 2.2697396540089647
Energy: 2.171075848391473
Energy: 2.3153600787904254
Energy: 2.200663023297389
Energy: 2.2900859591665834
Energy: 2.301069920125948
Energy: 2.2697396540089647
Energy: 2.171075848389212
Energy: 2.3153600787881645
Energy: 2.2006630232996502
Energy: 2.1984729330056827
Energy: 2.3139952412485303
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Energy: 2.2015215966344055
Energy: 2.2374300055103946
Energy: 2.30202715851282
Energy: 2.198472933003422
Energy: 2.3139952412463107
Energy: 2.2539190826933324
Energy: 2.2015215966344055
Energy: 2.3141396456937358
Energy: 2.4360599358670947
Energy: 2.178681045434498
Energy: 2.396525188408487
Energy: 2.3198112909303483
Energy: 2.2250616746604015
Energy: 2.3141396456914745
Energy: 2.4360599358670947
Energy: 2.178681045434498
Energy: 2.396525188410748
Energy: 2.362363798895058
Energy: 2.505636944474447
Energy: 2.360149354305259
Energy: 2.3452785556918028
Energy: 2.334133444416859
Energy: 2.507050983934775
Energy: 2.362363798895058
Energy: 2.505636944474447
Energy: 2.360149354305259
Energy: 2.345278555694064
Energy: 2.362469633863619
Energy: 2.249726961706436
Energy: 2.3978949842506183
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Energy: 2.3624696338658797
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Energy: 2.366010227160009
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Energy: 2.3575902510047153
Energy: 2.3380396932116594
Energy: 2.545103127615421
Energy: 2.2808763273987283
Energy: 2.3785991974461242
Energy: 2.1948470560954707
Energy: 2.228878392789899
Energy: 2.17900809996034
Energy: 2.437826482310911
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Energy: 2.194847056097732
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Energy: 2.437826482313172
Energy: 2.298486604597351
Energy: 2.19830619400791
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Energy: 2.298486604597351
Energy: 2.19830619400791
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Energy: 2.175891961271501
Energy: 2.5508558024794428
Energy: 2.3223249832258634
Energy: 2.3327424543829154
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Energy: 2.406041597546123
Energy: 2.17589196126924
Energy: 2.3113482999096475
Energy: 2.3565327703958068
Energy: 2.3684337090001453
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Energy: 2.3565327703958068
Energy: 2.36843371669143
Energy: 2.403951814498104
Energy: 2.5249768688146994
Energy: 2.420838535362963
Energy: 2.242775295938234
Energy: 2.401899935577538
Energy: 2.526369225777957
Energy: 2.348364111479145
Energy: 2.524976868812438
Energy: 2.4208385353607014
Energy: 2.242775295938234
Energy: 2.401899935577538
Energy: 2.3348052350602813
Energy: 2.336056365360422
Energy: 2.551386954030791
Energy: 2.179108620650941
Energy: 2.406041597546123
Energy: 2.1672101846438396
Energy: 2.334805235062542
Energy: 2.336056365360422
Energy: 2.551386954030791
Energy: 2.179108620650941
Energy: 2.3038070623112743
Energy: 2.2409504213113784
Energy: 2.2084285330840525
Energy: 2.177067194993312
Energy: 2.312089932623301
Energy: 2.21818899845025
Energy: 2.3038070623090134
Energy: 2.2409504213113784
Energy: 2.2084285330840525
Energy: 2.177067194995573
Energy: 2.231074153118703
Energy: 2.300957068538817
Energy: 2.202949950171005
Energy: 2.3835220418097522
Energy: 2.19387978544109
Energy: 2.2938856472145885
Energy: 2.2310741531209644
Energy: 2.300957068538817
Energy: 2.202949950171005
Energy: 2.38352204180523
Energy: 2.335224536997545
Energy: 2.338756284990932
Energy: 2.199708696058261
Energy: 2.379120257108826
Energy: 2.2752644204233547
Energy: 2.5452956224535814
Energy: 2.335224536999806
Energy: 2.3387562849886705
Energy: 2.1997086960695666
Energy: 2.379120257111087
Energy: 2.1354023806433062
Energy: 2.2942813430855287
Energy: 2.3547742190089407
Energy: 2.497066230722563
Energy: 2.404323145303843
Energy: 2.2486534363937856
Energy: 2.1354023806433062
Energy: 2.2942813430877487
Energy: 2.3547742190089407
Energy: 2.497066230690908
Energy: 2.362561704159453
Energy: 2.5077997816431785
Energy: 2.333970681223804
Energy: 2.3543873191926408
Energy: 2.4782471784769373
Energy: 2.554281636321943
Energy: 2.362561704159453
Energy: 2.5077997816431785
Energy: 2.333970681223804
Energy: 2.3543873191089806
Energy: 2.3919202569390654
Energy: 2.326639431110086
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minimum gb energy = 2.1354023806433062 eV
minimum distance =  2.36156396595823 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 2.4847931476804055
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Energy: 2.4549815224055376
Energy: 2.1462165735527963
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Energy: 2.22054815993509
Energy: 2.2385879481198425
Energy: 2.1605990498542047
Energy: 2.4549815224055376
Energy: 2.1462165735527963
Energy: 2.3662263005209896
Energy: 2.220548159932539
Energy: 2.145860260973997
Energy: 2.146460963992475
Energy: 2.2027949503159605
Energy: 2.216576951359752
Energy: 2.6709636687796245
Energy: 2.1904915019705378
Energy: 2.145860260973997
Energy: 2.146460963992475
Energy: 2.202794950318512
Energy: 2.216576951359752
Energy: 2.261614805518207
Energy: 2.464938596668585
Energy: 2.184432440471564
Energy: 2.2465079319324843
Energy: 2.264851146140488
Energy: 2.2672910072447765
Energy: 2.261614805518207
Energy: 2.4649385966711357
Energy: 2.184432440471564
Energy: 2.2465079319324843
Energy: 2.3687744102418122
Energy: 2.4085175916374193
Energy: 2.1974270274528522
Energy: 2.3509145731541774
Energy: 2.181600433687901
Energy: 2.3534177741835807
Energy: 2.368774410239262
Energy: 2.4085175916374193
Energy: 2.1974270274528522
Energy: 2.3509145731541774

minimum gb energy = 2.0874233550903636 eV
minimum distance =  2.43905902237852 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 2.1799729368157537
Energy: 2.3045389449716707
Energy: 2.0409512854529237
Energy: 2.1879230423201417
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Energy: 2.3045389449716707
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Energy: 2.435360239315301
Energy: 2.2440126773272495
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Energy: 2.0556136127073317
Energy: 2.0945768732746632
Energy: 2.1129896231502947
Energy: 2.435360239315301
Energy: 2.2440126773272495
Energy: 2.098213895519453
Energy: 2.1102118041242894
Energy: 2.2345847024146104
Energy: 2.4138130917340788
Energy: 2.108278400440949
Energy: 2.4964923337198996
Energy: 2.0950213638342765
Energy: 2.1102118041242894
Energy: 2.2345847024146104
Energy: 2.4138130917340788
Energy: 2.108278400440949
Energy: 2.330786228720953
Energy: 2.0411661452021863
Energy: 2.4387638979229007
Energy: 2.3162071678919145
Energy: 2.0959898060158655
Energy: 2.055582519460516
Energy: 2.330786228720953
Energy: 2.0411661452021863
Energy: 2.4387638979229007
Energy: 2.3162071678919145
Energy: 2.1680952413541124
Energy: 2.0415695938538274
Energy: 2.30447599258367
Energy: 2.1799729368157537
Energy: 2.3045389449716707
Energy: 2.0409512854529237
Energy: 2.168095241520419
Energy: 2.0415695938538274
Energy: 2.30447599258367
Energy: 2.1799729368157537

minimum gb energy = 2.0409512854529237 eV
minimum distance =  2.43972291777703 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

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Energy: 2.3210064127453998
Energy: 1.9578675086445385
Energy: 2.185204081743934
Energy: 1.956344765125165
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Energy: 2.3837791815077205
Energy: 2.063550151888297
Energy: 2.3147450612074083
Energy: 1.9965716676988923
Energy: 2.271096412235675
Energy: 2.06975051321783
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Energy: 1.9578220128202661
Energy: 2.3516985797611083
Energy: 1.9577389557754503
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Energy: 2.0697505132212277
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Energy: 1.9946143201560613
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Energy: 1.9588377767966059
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Energy: 2.0041785573235686
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Energy: 2.315981479114839
Energy: 2.3433157018016813
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Energy: 2.3197093828309083
Energy: 2.144985589270485
Energy: 2.142821765000614
Energy: 2.320075944892959
Energy: 2.002150321800218
Energy: 1.997241953886415
Energy: 2.3197093828309083
Energy: 2.1449855892738823
Energy: 2.142821765000614
Energy: 2.320075944896357
Energy: 1.9597256994893308
Energy: 2.2167906357332927
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Energy: 1.999210385506026
Energy: 2.003009951961286
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Energy: 1.9597256994893308
Energy: 2.2167906357400886
Energy: 2.3074084636359675
Energy: 1.999210385506026
Energy: 1.9574727185752343
Energy: 2.2625218616640947
Energy: 2.0725651875541664
Energy: 2.296916946287903
Energy: 1.9571090846898511
Energy: 2.424773180255308
Energy: 1.9574727185752343
Energy: 2.2625218616640947
Energy: 2.0725651875541664
Energy: 2.296916946287903
Energy: 1.9966302304069095
Energy: 2.3267581139513385
Energy: 2.0646751209749934
Energy: 2.358424720714378
Energy: 2.014337550447106
Energy: 2.1620335026180895
Energy: 1.9966302304069095
Energy: 2.3267581139513385
Energy: 2.0646751209749934
Energy: 2.3584247207177755
Energy: 1.9966045945291235
Energy: 2.3090309782628387
Energy: 2.1398439675334346
Energy: 2.1651750615386764
Energy: 2.298570848400312
Energy: 1.9981284966418433
Energy: 1.9966045945257258
Energy: 2.309030978266237
Energy: 2.139843967530037
Energy: 2.1651750615352787
Energy: 2.164453198595934
Energy: 1.9559004296635814
Energy: 2.3812370582270637
Energy: 2.059833044697026
Energy: 1.9957439550377214
Energy: 2.050316760435086
Energy: 2.164453198595934
Energy: 1.955900429666979
Energy: 2.3812370582270637
Energy: 2.0598330447003925
Energy: 2.354172564669075
Energy: 1.9564085314028716
Energy: 2.2520798024939146
Energy: 2.0694898065462803
Energy: 2.2623758729917163
Energy: 2.166140741716314
Energy: 2.354172564669075
Energy: 1.9564085314028716
Energy: 2.2520798024939146
Energy: 2.0694898065462803
Energy: 2.1686526230226435
Energy: 1.99951988262171
Energy: 2.482494532608174
Energy: 2.063093081922249
Energy: 2.3075291433722707
Energy: 2.012457238034398
Energy: 2.1686526230226435
Energy: 1.9995198826183125
Energy: 2.482494532608174
Energy: 2.063093081922249

minimum gb energy = 1.9554243447834152 eV
minimum distance =  2.50140266785835 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 2.2227903669266165
Energy: 2.349802425690997
Energy: 2.4909534688505808
Energy: 2.6601741761700373
Energy: 2.4912737652075663
Energy: 2.3494595923573454
Energy: 2.2227903669266165
Energy: 2.349802425690997
Energy: 2.4909534688505808
Energy: 2.605052686003273
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Energy: 2.1670968665744423
Energy: 2.353693565772814
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Energy: 2.305626672234768
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Energy: 2.320465503604548
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Energy: 2.1568920743039013
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Energy: 2.5353499514665714
Energy: 2.4976962397620994
Energy: 2.630116705916377
Energy: 2.1263660729535454
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Energy: 2.1244579785479223
Energy: 2.4976962397620994
Energy: 2.630116705916377
Energy: 2.1263660729535454
Energy: 2.3990834589473384
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Energy: 2.292172393874397
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Energy: 2.1600816319904004
Energy: 2.349802425690997
Energy: 2.4909534688505808
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Energy: 2.1670968665744423
Energy: 2.126469493129241
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Energy: 2.5736605948679503
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Energy: 2.126469493129241
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Energy: 2.3491913606453614
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Energy: 2.127547205792616
Energy: 2.630116705916377
Energy: 2.499392851734615
Energy: 2.1235615161751267
Energy: 2.3491913606453614
Energy: 2.353693565772814
Energy: 2.07013972353771
Energy: 2.336370911172701
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Energy: 2.029883898237067
Energy: 2.5366436954413523
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Energy: 2.4258563169068403
Energy: 2.0307816178259603
Energy: 2.305626672234768
Energy: 2.063395314186783
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Energy: 2.4258563169068403
Energy: 2.0307816178259603
Energy: 2.305626672234768
Energy: 2.146443585976946
Energy: 2.3325327328153715
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Energy: 2.3325327328153715
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Energy: 2.351943365860435
Energy: 2.4211671812809463
Energy: 2.340405827786504
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Energy: 2.380613235652946
Energy: 2.489887108213503
Energy: 2.351943365860435
Energy: 2.4211671812849795
Energy: 2.340405827790538
Energy: 2.153706126878418
Energy: 2.320465503604548
Energy: 2.029553649477288
Energy: 2.4260107544137117
Energy: 2.404493511685389
Energy: 2.156883627427172
Energy: 2.0609035182172297
Energy: 2.320465503604548
Energy: 2.029553649477288
Energy: 2.4260107544137117
Energy: 2.404493511689423
Energy: 2.5353499514665714
Energy: 2.0296654679182864
Energy: 2.309555921726207
Energy: 2.0699536884153287
Energy: 2.1568920743039013
Energy: 2.1248577592504554
Energy: 2.5353499514665714
Energy: 2.0296654679182864
Energy: 2.3095559217302397
Energy: 2.0699536884153287
Energy: 2.3301655692429954
Energy: 2.3374856652726614
Energy: 2.1255197671056254
Energy: 2.4976962397620994
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Energy: 2.1263660729535454
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Energy: 2.1688799625259727
Energy: 2.2227903669266165
Energy: 2.349802425690997
Energy: 2.4909534688505808
Energy: 2.5221288787704976
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Energy: 2.3494595923573454
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Energy: 2.4909534688505808
Energy: 2.5221288787704976
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Energy: 2.0607419393870394
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Energy: 2.126469493129241
Energy: 2.345707844055846
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Energy: 2.0607419393910726
Energy: 2.1670968665744423
Energy: 2.353693565772814
Energy: 2.1268751856916377
Energy: 2.6010959609277196
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Energy: 2.353693565768781
Energy: 2.1268751856916377
Energy: 2.6010959609277196
Energy: 2.4989170426349308
Energy: 2.5366436954413523
Energy: 2.124113581014285
Energy: 2.1569212717550417
Energy: 2.0701832770566013
Energy: 2.336370911172701
Energy: 2.029883898237067
Energy: 2.5366436954413523
Energy: 2.124113581014285
Energy: 2.156921271751008
Energy: 2.0701832770566013
Energy: 2.305626672234768
Energy: 2.06339531418275
Energy: 2.15597715106294
Energy: 2.4082763364386417
Energy: 2.4258563169068403
Energy: 2.0307816178259603
Energy: 2.305626672234768
Energy: 2.06339531418275
Energy: 2.15597715106294
Energy: 2.4082763364386417
Energy: 2.1262325197407863
Energy: 2.490471026633916
Energy: 2.532068378363756
Energy: 2.146443585976946
Energy: 2.3429538539960055
Energy: 2.4470814721677305
Energy: 2.1262325197448195
Energy: 2.490471026633916
Energy: 2.532068378363756
Energy: 2.146443585976946
Energy: 2.1535962307765653
Energy: 2.38133007298359
Energy: 2.4903685234267865
Energy: 2.3306702405004085
Energy: 2.4211671812849795
Energy: 2.340405827786504
Energy: 2.1535962307765653
Energy: 2.38133007298359
Energy: 2.4903685234267865
Energy: 2.3306702405004085
Energy: 2.404493511689423
Energy: 2.157543634107917
Energy: 2.060628755331932
Energy: 2.320465503604548
Energy: 2.029553649477288
Energy: 2.4260107544137117
Energy: 2.404493511689423
Energy: 2.157543634107917
Energy: 2.060628755331932
Energy: 2.320465503604548
Energy: 2.0699536884153287
Energy: 2.1568920743039013
Energy: 2.1248577592504554
Energy: 2.5353499514665714
Energy: 2.0296654679182864
Energy: 2.309555921726207
Energy: 2.0699536884153287
Energy: 2.1568920743039013
Energy: 2.1248577592504554
Energy: 2.5353499514665714
Energy: 2.4976962397620994
Energy: 2.630116705916377
Energy: 2.1263660729535454
Energy: 2.399083458951372
Energy: 2.3374856652726614
Energy: 2.1244579785479223
Energy: 2.4976962397620994
Energy: 2.630116705916377
Energy: 2.1263660729535454
Energy: 2.3990834589473384
Energy: 2.1691011774495412
Energy: 2.0634342723405603
Energy: 2.292172393874397
Energy: 2.572683099035388
Energy: 2.394659193634642
Energy: 2.1253460743790162
Energy: 2.1691011774495412
Energy: 2.0634342723445935
Energy: 2.292172393874397
Energy: 2.572683099035388

minimum gb energy = 2.029553649477288 eV
minimum distance =  2.4277941517542 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 2.2563146678241077
Energy: 2.3176620434678146
Energy: 2.120011033782937
Energy: 2.519173448604112
Energy: 2.1035599405665506
Energy: 2.317321721918587
Energy: 2.2563146678241077
Energy: 2.3176620434656003
Energy: 2.120011033782937
Energy: 2.4256681919603147
Energy: 2.5006906475642823
Energy: 2.2535259401123406
Energy: 2.1036039688728327
Energy: 2.2562069631267336
Energy: 2.155546633030308
Energy: 2.268052591005598
Energy: 2.5006906475664965
Energy: 2.253525940116769
Energy: 2.1036039688728327
Energy: 2.2562069631267336
Energy: 2.3889649207283807
Energy: 2.096210677009883
Energy: 2.379943217220359
Energy: 2.4324431124821158
Energy: 2.1551522502325198
Energy: 2.220295078766785
Energy: 2.3889649207283807
Energy: 2.0962106770054545
Energy: 2.3799432172181447
Energy: 2.4324431124821158
Energy: 2.314141501303556
Energy: 2.0964494239444655
Energy: 2.2029652420021377
Energy: 2.099589318167058
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Energy: 2.475295474666665
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Energy: 2.0971415480507587
Energy: 2.3227555873666303
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Energy: 2.0971415480507587
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Energy: 2.4627231035435715
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Energy: 2.096538972113459
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Energy: 2.401435319484451
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Energy: 2.194452696405029
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Energy: 2.2532322375031195
Energy: 2.102020398934503
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Energy: 2.1561159103150542
Energy: 2.2110769655645384
Energy: 2.3000720225511055
Energy: 2.434032894973701
Energy: 2.154967757217714
Energy: 2.2215687961114994
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Energy: 2.0965007635024384
Energy: 2.3000720225488913
Energy: 2.434032894971729
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Energy: 2.2215687961114994
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Energy: 2.2079456188564204
Energy: 2.2562417419628753
Energy: 2.0973433722694823
Energy: 2.4020084380726074
Energy: 2.0961779936952993
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Energy: 2.207945618858635
Energy: 2.256241741965089
Energy: 2.0973433722672685
Energy: 2.1613425545602296
Energy: 2.4709757649279913
Energy: 2.1948607954995123
Energy: 2.0980283778105977
Energy: 2.2559695518131693
Energy: 2.0970590911166545
Energy: 2.161342554562444
Energy: 2.470975764925777
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Energy: 2.0980283778105977
Energy: 2.3572614080949337
Energy: 2.2172612184857705
Energy: 2.155298624630046
Energy: 2.362455726789806
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Energy: 2.0956657038653317
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Energy: 2.2172612184857705
Energy: 2.1552986246278314
Energy: 2.362455726789806
Energy: 2.5222500389374254
Energy: 2.2698742733123645
Energy: 2.1557880795124036
Energy: 2.2476403611363165
Energy: 2.101943614175358
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Energy: 2.26720018475684
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Energy: 2.5607985397639705
Energy: 2.1827788438898783
Energy: 2.098379525545133
Energy: 2.25750362750048
Energy: 2.0969314473923255

minimum gb energy = 2.0956144244895634 eV
minimum distance =  2.43003392420579 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 1.9787781451012905
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Energy: 2.077873004721358
Energy: 1.977879871754024
Energy: 2.064749229785589
Energy: 1.8912938701956747
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Energy: 1.977879871754024
Energy: 2.064749229785589
Energy: 1.9798106584866666
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Energy: 2.185907431654994
Energy: 2.1886852165516393
Energy: 1.9798106584866666
Energy: 2.028689988399771
Energy: 1.979086788383785
Energy: 2.5137805882315267

minimum gb energy = 1.888851446198025 eV
minimum distance =  2.50280792746596 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 2.1815052440455323 eV
minimum distance =  2.42667230399899 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 2.3505794001961466
Energy: 2.2048652825508688
Energy: 2.3611196281141122
Energy: 2.294965268188008
Energy: 2.3966645788194496
Energy: 2.2041157004970047
Energy: 2.402654942497407
Energy: 2.380476413011339
Energy: 2.3224875121375548
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Energy: 2.3966645788194496
Energy: 2.2041157004970047
Energy: 2.402654942497407
Energy: 2.380476413011339
Energy: 2.2683068908685615
Energy: 2.44264294090583
Energy: 2.326356449450705
Energy: 2.2123054291119617
Energy: 2.4897627129251574
Energy: 2.2681592046223256
Energy: 2.2683068908685615
Energy: 2.44264294090583
Energy: 2.326356449450705
Energy: 2.2123054291119617
Energy: 2.2690137975723705
Energy: 2.308880744057425
Energy: 2.2853944232014958
Energy: 2.371954062330842
Energy: 2.283715139908274
Energy: 2.3557464555541907
Energy: 2.2690137975723705
Energy: 2.308880744057425
Energy: 2.2853944232014958
Energy: 2.371954062330842
Energy: 2.2831836462931334
Energy: 2.3300627783928904
Energy: 2.382560907609984
Energy: 2.365208198479945
Energy: 2.2148272458958536
Energy: 2.3725795213104868
Energy: 2.2831836462931334
Energy: 2.3300627783962007
Energy: 2.382560907609984
Energy: 2.365208198479945
Energy: 2.282370271760574
Energy: 2.3547008905151734
Energy: 2.3547054540056247
Energy: 2.282489569670835
Energy: 2.2416102032763647
Energy: 2.241487194907534
Energy: 2.282370271760574
Energy: 2.3547008905151734
Energy: 2.3547054540056247
Energy: 2.282489569670835
Energy: 2.3375615558724343
Energy: 2.3824836527495945
Energy: 2.329829992764615
Energy: 2.2835655075553416
Energy: 2.372634522980936
Energy: 2.2148607901327804
Energy: 2.337561555842645
Energy: 2.3824836527495945
Energy: 2.329829992764615
Energy: 2.2835655075553416
Energy: 2.3719093252973047
Energy: 2.2861518717581917
Energy: 2.308804219899818
Energy: 2.2689784165324656
Energy: 2.3550404024281857
Energy: 2.283952839528536
Energy: 2.3719093252973047
Energy: 2.2861518717581917
Energy: 2.308804219899818
Energy: 2.2689784165291553
Energy: 2.2127812184922435
Energy: 2.3272508345085376
Energy: 2.44264294090583
Energy: 2.268387297539544
Energy: 2.274043373066288
Energy: 2.4897627129251574
Energy: 2.2127812184922435
Energy: 2.3272508345085376
Energy: 2.44264294090583
Energy: 2.268387297539544
Energy: 2.3804542365405563
Energy: 2.4027899963936803
Energy: 2.204241648467178
Energy: 2.397329665382034
Energy: 2.283575079453697
Energy: 2.3232939595921596
Energy: 2.3804542365405563
Energy: 2.4027899963936803
Energy: 2.204241648467178
Energy: 2.397329665382034

minimum gb energy = 2.2041157004970047 eV
minimum distance =  2.43938281296638 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.0417494092412345
Energy: 2.938758877641015
Energy: 2.041738529673689
Energy: 2.156118122569529
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.0417494092412345
Energy: 2.549715158987158
Energy: 2.0422239089093686
Energy: 2.7911229704102976
Energy: 2.0417291448814625
Energy: 2.402467419967946
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.0422239089093686
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Energy: 2.2533019971288666
Energy: 2.0978022647460133
Energy: 1.9732389893686215
Energy: 2.543966054496308
Energy: 1.973005114044675
Energy: 2.042492592308966
Energy: 2.043410205913716
Energy: 2.0978022647460133
Energy: 1.9732389893686215
Energy: 2.54396605450229
Energy: 1.973005114044675
Energy: 2.5439909850943057
Energy: 1.9732273484330236
Energy: 2.097777576388704
Energy: 2.0434185437748105
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Energy: 2.0489399628202927
Energy: 2.041738529673689
Energy: 2.156118122569529
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.0417494092412345
Energy: 2.5497168332888474
Energy: 2.041738529673689
Energy: 2.0435476701959576
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.0422239089093686
Energy: 2.889621506512846
Energy: 2.0417291448814625
Energy: 2.1238337557669547
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.0422239089093686
Energy: 2.509283988307149
Energy: 2.042492592308966
Energy: 2.043410205913716
Energy: 2.0978022647460133
Energy: 1.9732389893686215
Energy: 2.54396605450229
Energy: 1.973005114044675
Energy: 2.042492592308966
Energy: 2.043410205913716
Energy: 2.0978022647460133
Energy: 1.9732389893686215
Energy: 2.0424956350424575
Energy: 1.9730207712090493
Energy: 2.5439909850943057
Energy: 1.9732273484330236
Energy: 2.097777576388704
Energy: 2.0434185437748105
Energy: 2.0424956350424575
Energy: 1.9730207712090493
Energy: 2.543990985088323
Energy: 1.9732273484330236
Energy: 2.5960197105597773
Energy: 2.1556076696103434
Energy: 2.0417240549029216
Energy: 2.5261487355882744
Energy: 2.042361326987008
Energy: 2.0489399628202927
Energy: 2.5960197105597773
Energy: 2.0986953061237994
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Energy: 2.596604753062664
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Energy: 2.645111271113555
Energy: 2.041738529673689
Energy: 2.196176624751124
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.0417494092412345
Energy: 2.667507071744978
Energy: 2.041738529673689
Energy: 2.0435476701959576
Energy: 2.0417291448814625
Energy: 2.2533019971288666
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.0422239089093686
Energy: 2.9869353711787436
Energy: 2.0417291448814625
Energy: 2.2533019971288666
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.54396605450229
Energy: 1.973005114044675
Energy: 2.042492592308966
Energy: 2.043410205913716
Energy: 2.0978022647460133
Energy: 1.9732389893686215
Energy: 2.54396605450229
Energy: 1.973005114044675
Energy: 2.042492592308966
Energy: 2.043410205913716
Energy: 2.097777576388704
Energy: 2.0434185437748105
Energy: 2.0424956350424575
Energy: 1.9730207712090493
Energy: 2.543990985088323
Energy: 1.9732273484330236
Energy: 2.097777576388704
Energy: 2.0434185437748105
Energy: 2.0424956350424575
Energy: 1.9730207712090493
Energy: 2.042361326987008
Energy: 2.0489399628202927
Energy: 2.5960197105597773
Energy: 2.0986953061237994
Energy: 2.0417240549029216
Energy: 2.579167948036298
Energy: 2.042361326987008
Energy: 2.0489399628202927
Energy: 2.5960197105597773
Energy: 2.0986953061237994
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.0417494092412345
Energy: 2.524223037206066
Energy: 2.041738529673689
Energy: 2.0435476701959576
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.0417494092412345
Energy: 2.4930103967679114
Energy: 2.0422239089093686
Energy: 3.104862388577143
Energy: 2.0417291448814625
Energy: 2.2533019971288666
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.0422239089093686
Energy: 2.9869353711787436
Energy: 2.0417291448814625
Energy: 2.2533019971288666
Energy: 2.0978022647460133
Energy: 1.9732389893686215
Energy: 2.5439660545082723
Energy: 1.973005114044675
Energy: 2.042492592308966
Energy: 2.043410205913716
Energy: 2.0978022647460133
Energy: 1.9732389893686215
Energy: 2.5439660545082723
Energy: 1.973005114044675
Energy: 2.543990985088323
Energy: 1.9732273484330236
Energy: 2.097777576388704
Energy: 2.0434185437748105
Energy: 2.0424956350424575
Energy: 1.9730207712090493
Energy: 2.543990985082341
Energy: 1.9732273484330236
Energy: 2.097777576388704
Energy: 2.0434185437748105
Energy: 2.0417240549029216
Energy: 2.5261487355882744
Energy: 2.042361326987008
Energy: 2.0489399628202927
Energy: 2.5960197105597773
Energy: 2.0986953061237994
Energy: 2.0417240549029216
Energy: 2.5261487355882744
Energy: 2.042361326987008
Energy: 2.0489399628202927
Energy: 2.041738529673689
Energy: 2.0435476701899753
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.0417494092412345
Energy: 2.524223037212048
Energy: 2.041738529673689
Energy: 2.0435476701899753
Energy: 1.9733937674291908
Energy: 2.043977551073317
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.0422239089093686
Energy: 3.104862388577143
Energy: 2.0417291448814625
Energy: 2.2533019971288666
Energy: 2.596001531266219
Energy: 2.048637793159631
Energy: 2.0422239089093686
Energy: 2.9869353711787436

minimum gb energy = 1.973005114044675 eV
minimum distance =  2.43843033405062 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 2.5976426972251128
Energy: 2.3563244076506886
Energy: 2.273156620490115
Energy: 2.753965310640549
Energy: 2.2731566543205486
Energy: 2.3614509531701042
Energy: 2.5976426972221542
Energy: 2.3563244076534
Energy: 2.2731566204846914
Energy: 2.7539653106432604
Energy: 2.402467065037545
Energy: 2.375091991587476
Energy: 2.271950328153204
Energy: 2.319961004849761
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Energy: 2.2706263209475703
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Energy: 2.2681986030408585
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Energy: 2.2741341744434953
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Energy: 2.382149353405343
Energy: 2.284179977890149
Energy: 2.3308248568075722
Energy: 2.2971259100774892
Energy: 2.314622014370516
Energy: 2.313614798432258
Energy: 2.3821493534080544
Energy: 2.284179977895573
Energy: 2.3308248568048606
Energy: 2.310263379250078
Energy: 2.360065500894986
Energy: 2.2887084921314624
Energy: 2.3154906914824394
Energy: 2.2848776391554404
Energy: 2.3263788901581224
Energy: 2.310263379250078
Energy: 2.3600655008922744
Energy: 2.288708492134174
Energy: 2.3154906914824394
Energy: 2.4563638153679905
Energy: 2.2921375740750225
Energy: 2.377086020298356
Energy: 2.2708317483410747
Energy: 2.412208087814416
Energy: 2.281128878193987
Energy: 2.4563638153679905
Energy: 2.2921375740750225
Energy: 2.3770860202956445
Energy: 2.2708317483437863
Energy: 2.4150436351313824
Energy: 2.3644088052457346
Energy: 2.254846557545785
Energy: 2.2672555583145466
Energy: 2.419174480189814
Energy: 2.2750134661577914
Energy: 2.4150436351313824
Energy: 2.3644088052457346
Energy: 2.254846557545785
Energy: 2.267255558309123
Energy: 2.272266854470423
Energy: 2.349610878026701
Energy: 2.5237149132745853
Energy: 2.302331886807579
Energy: 2.287114580184114
Energy: 2.51066112274913
Energy: 2.2722668544677114
Energy: 2.3496108780294134
Energy: 2.5237149132718733
Energy: 2.302331886807579
Energy: 2.346244485398714
Energy: 2.341044566064465
Energy: 2.272404951580943
Energy: 2.4142694741527793
Energy: 2.2918308279933015
Energy: 2.256412917606969
Energy: 2.3462444854014257
Energy: 2.341044566064465
Energy: 2.272404951577935
Energy: 2.4142694741500677
Energy: 2.3766239470059767
Energy: 2.440934218458338
Energy: 2.267549906370758
Energy: 2.34094754188501
Energy: 2.276606496991867
Energy: 2.3116987869968635
Energy: 2.3766239470086883
Energy: 2.440934218458338
Energy: 2.2675499063677997
Energy: 2.34094754188501
Energy: 2.282741193553849
Energy: 2.284856805009453
Energy: 2.412905876107404
Energy: 2.2712901920880437
Energy: 2.328974221466309
Energy: 2.263826344467151
Energy: 2.282741193553849
Energy: 2.2848568050124114
Energy: 2.412905876107404
Energy: 2.271290192085381
Energy: 2.3163921573933077
Energy: 2.300104990054494
Energy: 2.2882839949805542
Energy: 2.265675483295659
Energy: 2.289112959095311
Energy: 2.2868386551261732
Energy: 2.316392157398732
Energy: 2.3001049900515356
Energy: 2.2882839949805542
Energy: 2.265675483295659
Energy: 2.269271490334321
Energy: 2.40932161962185
Energy: 2.2970844841453335
Energy: 2.3373013312513855
Energy: 2.2977143547436767
Energy: 2.3383057089504344
Energy: 2.269271490334321
Energy: 2.4093216196245617
Energy: 2.2970844841453335
Energy: 2.3373013312513855
Energy: 2.2751124219763894
Energy: 2.404920602123992
Energy: 2.2779559639028797
Energy: 2.3421175263507563
Energy: 2.2652911162583744
Energy: 2.333299801121643
Energy: 2.2751124219763894
Energy: 2.404920602123992
Energy: 2.2779559639055913
Energy: 2.3421175263507563
Energy: 2.408973655291487
Energy: 2.263828656152356
Energy: 2.433286330744519
Energy: 2.4728235314900546
Energy: 2.288533457926632
Energy: 2.2796582612264706
Energy: 2.4089736552941985
Energy: 2.26382865615773
Energy: 2.4332863307472308
Energy: 2.4728235314900546
Energy: 2.2568942613102285
Energy: 2.2712154583489776
Energy: 2.28532222508482
Energy: 2.2640051627228566
Energy: 2.257489499226477
Energy: 2.2923092554421967
Energy: 2.2568942613102285
Energy: 2.2712154583489776
Energy: 2.28532222508482
Energy: 2.2640051627228566
Energy: 2.312090663467422
Energy: 2.3895981231890233
Energy: 2.41939489710774
Energy: 2.2650738745706183
Energy: 2.4669884655607315
Energy: 2.2621848687742294
Energy: 2.3120906634701335
Energy: 2.389598123186311
Energy: 2.4193948971050285
Energy: 2.2650738745706183
Energy: 2.2703206953225763
Energy: 2.2535384804603416
Energy: 2.275889648575493
Energy: 2.473980834723433
Energy: 2.272050024068939
Energy: 2.3497202122405394
Energy: 2.2703206953225763
Energy: 2.253538480463053
Energy: 2.275889648575493
Energy: 2.473980834723433
Energy: 2.271458426515805
Energy: 2.367215344310199
Energy: 2.269640510487161
Energy: 2.4173574452613273
Energy: 2.2660823974222026
Energy: 2.3075975368328963
Energy: 2.271458426515805
Energy: 2.367215344312911
Energy: 2.269640510487161
Energy: 2.4173574452613273
Energy: 2.3173472753847477
Energy: 2.2802432688359824
Energy: 2.4123368818577138
Energy: 2.2803156551878514
Energy: 2.364484460399357
Energy: 2.2831985043544645
Energy: 2.3173472753793236
Energy: 2.2802432688359824
Energy: 2.4123368818577138
Energy: 2.280315655185386

minimum gb energy = 2.240672554903391 eV
minimum distance =  2.45530350846541 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 2.206341908243261
Energy: 2.329777497458938
Energy: 2.1643205682212447
Energy: 2.559420568649421
Energy: 2.1652377392613764
Energy: 2.3311938576682696
Energy: 2.206341908243261
Energy: 2.329777497458938
Energy: 2.1643205682212447
Energy: 2.559420568649421
Energy: 2.2335760679027548
Energy: 2.9592329306493097
Energy: 2.1819079553535228
Energy: 2.2567936841476888
Energy: 2.5920283882955686
Energy: 2.2789954397306853
Energy: 2.2335760679027548
Energy: 2.9592329306493097
Energy: 2.1819079553535228
Energy: 2.2567936841476888
Energy: 2.1911888601564082
Energy: 2.138384397805087
Energy: 2.578986688581115
Energy: 2.165551682236357
Energy: 2.2308351626334826
Energy: 2.1693902468715254
Energy: 2.1911888601564082
Energy: 2.138384397805087
Energy: 2.5789866885909944
Energy: 2.165551682236357
Energy: 2.8001081848121743
Energy: 2.135473521304457
Energy: 2.20526937857246
Energy: 2.2604580295853958
Energy: 2.2083669510449453
Energy: 2.2799725831899917
Energy: 2.8001081848121743
Energy: 2.135473521294578
Energy: 2.20526937857246
Energy: 2.2604580295853958
Energy: 2.21947942399265
Energy: 2.33097417892761
Energy: 2.191397247011789
Energy: 2.2846864405620626
Energy: 2.202974052307496
Energy: 2.213645820866653
Energy: 2.21947942399265
Energy: 2.33097417892761
Energy: 2.191397247011789
Energy: 2.2846864405620626
Energy: 2.2191990804264403
Energy: 2.2852436334027164
Energy: 2.178022386166056
Energy: 2.283864286447183
Energy: 2.1970061005480965
Energy: 2.25857008558623
Energy: 2.2191990804264403
Energy: 2.2852436334027164
Energy: 2.178022386166056
Energy: 2.283864286447183
Energy: 2.2407233451920088
Energy: 2.1449965890902676
Energy: 2.375846209307608
Energy: 2.2564501357095077
Energy: 2.221460235523149
Energy: 2.138813534993594
Energy: 2.2407233451821296
Energy: 2.1449965890902676
Energy: 2.375846209307608
Energy: 2.2564501357095077
Energy: 2.216237091363662
Energy: 2.131632723302891
Energy: 2.1650458088817723
Energy: 2.260827208920355
Energy: 2.2571433689096723
Energy: 2.1348830340672302
Energy: 2.216237091363662
Energy: 2.131632723302891
Energy: 2.165045808871893
Energy: 2.260827208920355
Energy: 2.232318328580078
Energy: 2.285258395162829
Energy: 2.806313926385073
Energy: 2.1906014195363444
Energy: 2.1639260208430016
Energy: 2.3635839936348075
Energy: 2.232318328580078
Energy: 2.285258395162829
Energy: 2.806313926385073
Energy: 2.1906014195363444
Energy: 2.175112758861503
Energy: 2.224693993646148
Energy: 2.179823453839354
Energy: 2.2243364985035443
Energy: 2.180691472700963
Energy: 2.3874872727902474
Energy: 2.175112758861503
Energy: 2.224693993646148
Energy: 2.179823453839354
Energy: 2.2243364984936647
Energy: 2.5994689064557503
Energy: 2.2894300716232676
Energy: 2.1927126666209285
Energy: 2.267826047075985
Energy: 2.4061872020399924
Energy: 2.143146848155043
Energy: 2.5994689064557503
Energy: 2.2894300716133875
Energy: 2.1927126666209285
Energy: 2.267826047075985
Energy: 2.265035578567332
Energy: 2.1320818932732726
Energy: 2.370969742509284
Energy: 2.1625510221023427
Energy: 2.2582444548762695
Energy: 2.131996067314843
Energy: 2.265035578567332
Energy: 2.1320818932732726
Energy: 2.370969742509284
Energy: 2.1625510221023427
Energy: 2.59838283430685
Energy: 2.143573168422182
Energy: 2.4061872020399924
Energy: 2.267895935911323
Energy: 2.1926896622352197
Energy: 2.289372823556903
Energy: 2.59838283430685
Energy: 2.143573168422182
Energy: 2.4061872020399924
Energy: 2.267895935911323
Energy: 2.1746079139170402
Energy: 2.38782631072955
Energy: 2.18024267936419
Energy: 2.2454970588924352
Energy: 2.1782687556399947
Energy: 2.2248383752038476
Energy: 2.1746079139170402
Energy: 2.38782631072955
Energy: 2.18024267936419
Energy: 2.2454970588924352

minimum gb energy = 2.131632723302891 eV
minimum distance =  2.41465261992089 Angstroms
sigma value = 33