Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8510001525282864
cohesive_energy=4.290337035123411
mass=55.845
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: 0.0 eV

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

Energy: 0.015081185312122007
Energy: 0.015615874422828899
Energy: 0.015356146125932533
Energy: 1.8205820865953741
Energy: 0.015356146125932533
Energy: 0.015615874420029485
Energy: 0.015081185311884321
Energy: 0.015615874421429192
Energy: 0.015356146125932533
Energy: 1.4334535758319098
Energy: 0.6997168952172692
Energy: 0.016018555459111936
Energy: 0.01725230002468039
Energy: 0.6937879342284207
Energy: 0.017252300025155765
Energy: 0.016018555511614088
Energy: 0.6997168952172692
Energy: 0.016018555467695036
Energy: 0.017252300025155765
Energy: 0.6937879342284207
Energy: 0.015081185312122007
Energy: 0.015615874421666877
Energy: 0.015356146125008196
Energy: 1.8205820865951363
Energy: 0.015356146125457158
Energy: 0.01561587442259121
Energy: 0.015081185312122007
Energy: 0.015615874421904563
Energy: 0.015356146124770511
Energy: 1.4334535758321212
Energy: 0.6997168952172692
Energy: 0.01601855546051164
Energy: 0.01725230002539345
Energy: 0.6937879342284207
Energy: 0.017252300025155765
Energy: 0.01601855548047725
Energy: 0.6997168952172692
Energy: 0.016018555460960603
Energy: 0.01725230002491808
Energy: 0.6937879342284207
Energy: 0.015081185312122007
Energy: 0.015615874421429192
Energy: 0.015356146125932533
Energy: 1.8205820865948987
Energy: 0.015356146125457158
Energy: 0.015615874421666877
Energy: 0.015081185311884321
Energy: 0.015615874421429192
Energy: 0.015356146125457158
Energy: 1.4334535758319098
Energy: 0.6997168952175069
Energy: 0.01601855546840809
Energy: 0.017252300025155765
Energy: 0.6937879342284207
Energy: 0.01725230002539345
Energy: 0.016018555466321735
Energy: 0.6997168952170578
Energy: 0.016018555456312523
Energy: 0.017252300025631134
Energy: 0.6937879342284207
Energy: 0.015081185311884321
Energy: 0.015615874420504857
Energy: 0.015356146125457158
Energy: 1.9082795080702004
Energy: 0.015356146125245882
Energy: 0.015615874421191507
Energy: 0.015081185312122007
Energy: 0.015615874420267172
Energy: 0.015356146125694846
Energy: 1.433453575831672

minimum gb energy = 0.015081185311884321 eV
minimum distance =  2.3063931258265 Angstroms
sigma value = 3


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

Energy: 1.340154294797297
Energy: 1.179160330284097
Energy: 1.240499482002095
Energy: 1.303278988821444
Energy: 1.2405204665942746
Energy: 1.1793053273596288
Energy: 1.340154294796728
Energy: 1.1791603302835278
Energy: 1.240499482002095
Energy: 1.303278988821444
Energy: 1.2531052561348204
Energy: 1.2319024824672733
Energy: 1.259045268187828
Energy: 1.2643634467249594
Energy: 1.2328739599552274
Energy: 1.159802391113744
Energy: 1.2531052561348204
Energy: 1.2319024824678426
Energy: 1.259045268187828
Energy: 1.2643634467255287
Energy: 1.233979106526507
Energy: 1.1642726912236119
Energy: 1.2233816822672743
Energy: 1.184135983210706
Energy: 1.225602905169547
Energy: 1.1760757214825206
Energy: 1.233979106526507
Energy: 1.1642726912236119
Energy: 1.2233816822672743
Energy: 1.1841359832095675
Energy: 1.2039914393038909
Energy: 1.1562909516625242
Energy: 1.202908838001008
Energy: 1.203143720178784
Energy: 1.2002821026055623
Energy: 1.1641697580762642
Energy: 1.203991439302183
Energy: 1.1562909516630933
Energy: 1.202908838001008
Energy: 1.203143720178784
Energy: 1.2236447682772302
Energy: 1.1872708141229604
Energy: 1.2032379598099867
Energy: 1.1778910916389644
Energy: 1.1568704205733829
Energy: 1.1860546174525335
Energy: 1.223644768276661
Energy: 1.1872708141229604
Energy: 1.2032379598099867
Energy: 1.177891091638395
Energy: 1.2062540917790079
Energy: 1.189130540732289
Energy: 1.1872933322591768
Energy: 1.193877768177441
Energy: 1.1768100843670761
Energy: 1.2037679431327803
Energy: 1.2062540917773
Energy: 1.1891305407328583
Energy: 1.187293332259746
Energy: 1.193877768177441
Energy: 1.1859553235716291
Energy: 1.2032438177312834
Energy: 1.2428910744908515
Energy: 1.219665995602866
Energy: 1.1650854068912657
Energy: 1.1955917649636678
Energy: 1.1859553235710598
Energy: 1.2032438177318527
Energy: 1.242891074490282
Energy: 1.219665995603435
Energy: 1.1638369136041933
Energy: 1.240337854577567
Energy: 1.2439652913443378
Energy: 1.2232549664268983
Energy: 1.1558091530861152
Energy: 1.295494932199497
Energy: 1.2901069879724751
Energy: 1.2403378545787056
Energy: 1.20500834612277
Energy: 1.2232549664268983
Energy: 1.2332774535202073
Energy: 1.2591243053786945
Energy: 1.2165127412630485
Energy: 1.284801610721392
Energy: 1.2356547274492649
Energy: 1.2797985542721364
Energy: 1.2332774535202073
Energy: 1.2591243053798329
Energy: 1.2165127412636179
Energy: 1.2848016107202538
Energy: 1.1763335164416677
Energy: 1.2259753603996195
Energy: 1.2740437559653082
Energy: 1.2498762612998005
Energy: 1.236588879294442
Energy: 1.313084932339538
Energy: 1.1763335164410986
Energy: 1.2259753604001886
Energy: 1.2740437559624618
Energy: 1.2498762613009389
Energy: 1.1561056561796381
Energy: 1.2324823624888295
Energy: 1.25971937019215
Energy: 1.2183147530704592
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Energy: 1.2042056788917197
Energy: 1.1561056561813459
Energy: 1.23248236248826
Energy: 1.259719370191581
Energy: 1.2183147530727365
Energy: 1.1873087216299958
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Energy: 1.1859340818838826
Energy: 1.2353333553337313
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Energy: 1.1874011452545696
Energy: 1.163835333500103
Energy: 1.1924834323498492
Energy: 1.1644398872656037
Energy: 1.200067833386091
Energy: 1.1828464666990166
Energy: 1.1779596088561215
Energy: 1.1854088063903423
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Energy: 1.2000678333866601
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Energy: 1.1779596088549829
Energy: 1.1779607661846343
Energy: 1.1828464666990166
Energy: 1.2000547941335338
Energy: 1.1647694507205102
Energy: 1.2181882352758415
Energy: 1.185586993024036
Energy: 1.177960766185773
Energy: 1.182846466699586
Energy: 1.2000547941335338
Energy: 1.1647694507205102
Energy: 1.1922978243376499
Energy: 1.1637851391186667
Energy: 1.1874110068189623
Energy: 1.1872657442106986
Energy: 1.2353939088114956
Energy: 1.1860595280508903
Energy: 1.1922978243387885
Energy: 1.1637851391198053
Energy: 1.187411006820101
Energy: 1.187265744211268
Energy: 1.2192363836853541
Energy: 1.2596753650422472
Energy: 1.2323886753055306
Energy: 1.1561055373987599
Energy: 1.2041579791051265
Energy: 1.1647445060127297
Energy: 1.2192363836859232
Energy: 1.259675365041678
Energy: 1.2323886753049613
Energy: 1.1561055373976212
Energy: 1.2499211745983112
Energy: 1.2740656268188164
Energy: 1.226039248779567
Energy: 1.2250429434899979
Energy: 1.3130881181111949
Energy: 1.1715840171755803
Energy: 1.2499211745977419
Energy: 1.2740656268221802
Energy: 1.2260392487801364
Energy: 1.1936829345316715
Energy: 1.284798423152236
Energy: 1.216044972499822
Energy: 1.2588929400819107
Energy: 1.2334833738448785
Energy: 1.2797746824870055
Energy: 1.2356567790895812
Energy: 1.284798423152236
Energy: 1.216044972499822
Energy: 1.2588929400813416
Energy: 1.23348337384374
Energy: 1.2233957837622846
Energy: 1.2050083461233392
Energy: 1.2404263522807861
Energy: 1.1547637513415394
Energy: 1.2955535777988318
Energy: 1.1557962790764724
Energy: 1.2233957837617155
Energy: 1.2050083461244778
Energy: 1.2404263522807861
Energy: 1.15476375134097
Energy: 1.2195665835524285
Energy: 1.24289749442396
Energy: 1.2032218689416254
Energy: 1.1858722173528033
Energy: 1.1953319129627027
Energy: 1.1650858523801866
Energy: 1.2195665835535667
Energy: 1.24289749442396
Energy: 1.203221868941056
Energy: 1.1858722173533727
Energy: 1.1939712952185455
Energy: 1.187272040334558
Energy: 1.1893901151496244
Energy: 1.1967103465614197
Energy: 1.2039104343105416
Energy: 1.1654191698965861
Energy: 1.193971295217407
Energy: 1.187272040334558
Energy: 1.1893901151496244
Energy: 1.185465590990249
Energy: 1.1779413828394245
Energy: 1.2032694214422854
Energy: 1.1869893338751232
Energy: 1.2236975002530839
Energy: 1.1860546174531028
Energy: 1.1568181104193191
Energy: 1.1779413828388554
Energy: 1.2032694214417161
Energy: 1.1869893338739845
Energy: 1.2236975002525143
Energy: 1.2031958457614755
Energy: 1.2028970647441215
Energy: 1.156188705743579
Energy: 1.2039364797917276
Energy: 1.1640487028581548
Energy: 1.200280661272612
Energy: 1.2031958457603371
Energy: 1.20289706474526
Energy: 1.156188705744148
Energy: 1.2039364797911585
Energy: 1.1841359832089982
Energy: 1.2235032786319642
Energy: 1.1633273658370067
Energy: 1.2340736434327857
Energy: 1.1665845388747458
Energy: 1.2256365008069814
Energy: 1.1841359832112754
Energy: 1.2235032786319642
Energy: 1.1760215932036222
Energy: 1.234073643431647
Energy: 1.2644599970175265
Energy: 1.259217638822117
Energy: 1.231928441847825
Energy: 1.2530369172872422
Energy: 1.1600122160439867
Energy: 1.2321562235588206
Energy: 1.2644599970175265
Energy: 1.259217638821548
Energy: 1.2319284418472558
Energy: 1.2530369172861038
Energy: 1.3031055710097343
Energy: 1.2405204665925669
Energy: 1.1793053273590595
Energy: 1.34015429479502
Energy: 1.1791603302835278
Energy: 1.2404994820015258
Energy: 1.3031055710108725
Energy: 1.2405204665931362
Energy: 1.1793053273579208
Energy: 1.34015429479502
Energy: 1.2643634467249594
Energy: 1.23287395995352
Energy: 1.159802391113744
Energy: 1.2531052561348204
Energy: 1.2319024824661347
Energy: 1.259045268187828
Energy: 1.26436344672439
Energy: 1.23287395995352
Energy: 1.159802391113744
Energy: 1.2531052561348204
Energy: 1.1841359832101368
Energy: 1.225602905169547
Energy: 1.1638958678119613
Energy: 1.2339791065270762
Energy: 1.1642726912241812
Energy: 1.2233816822689823
Energy: 1.1841359832118445
Energy: 1.225602905169547
Energy: 1.1760757214842286
Energy: 1.2339791065253685
Energy: 1.203143720178784
Energy: 1.2002821026067008
Energy: 1.1641697580768338
Energy: 1.2039914393027524
Energy: 1.1562909516613857
Energy: 1.2029088380021464
Energy: 1.2031437201776456
Energy: 1.2002821026055623
Energy: 1.1641697580768338
Energy: 1.203991439302183

minimum gb energy = 1.15476375134097 eV
minimum distance =  2.24087554598508 Angstroms
sigma value = 75


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

Energy: 1.4232982950111326
Energy: 1.2260683370520151
Energy: 1.285351409931067
Energy: 1.3071320088386682
Energy: 1.2214615565369396
Energy: 1.2301802819541778
Energy: 1.4232982950105773
Energy: 1.2260683370531262
Energy: 1.2853514099319003
Energy: 1.3007605584391708
Energy: 1.202287785847719
Energy: 1.2231798751363232
Energy: 1.2008796489869997
Energy: 1.294922956853367
Energy: 1.1767349293854157
Energy: 1.3113596829046734
Energy: 1.202287785847719
Energy: 1.2284804274044434
Energy: 1.2008796489864444
Energy: 1.294922956854478
Energy: 1.2746277892474094
Energy: 1.226617988748319
Energy: 1.1988884234001824
Energy: 1.2450374952623189
Energy: 1.296637842243644
Energy: 1.2015654155857507
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Energy: 1.1988884234015713
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Energy: 1.2072146112035198
Energy: 1.2373313452420067
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Energy: 1.2069409701386216
Energy: 1.1867015004078747
Energy: 1.2161366620354805
Energy: 1.2072146112049087
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Energy: 1.1867186378022219
Energy: 1.1918105840413231
Energy: 1.1774956411820499
Energy: 1.1984456651968243
Energy: 1.2174663610297836
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Energy: 1.1918105840404898
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Energy: 1.2857146661717518
Energy: 1.2700778950490295
Energy: 1.2386846008223988
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Energy: 1.3261400965917096
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Energy: 1.2001698913912293
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Energy: 1.3529910174609254
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Energy: 1.188293139680337
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Energy: 1.200989310225419
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Energy: 1.1991907021174388
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Energy: 1.2009893102268077
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Energy: 1.2292915342873005
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Energy: 1.2391723435757271
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Energy: 1.2408955677133584
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Energy: 1.301093751162521
Energy: 1.2211328366130667
Energy: 1.2686022292557706
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Energy: 1.2080023376173452
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Energy: 1.2085346569667972
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Energy: 1.1665726269307508
Energy: 1.241947162567889
Energy: 1.2074435369082033
Energy: 1.2864374483516035
Energy: 1.192872064044273
Energy: 1.2460344584166443
Energy: 1.1665726269301955
Energy: 1.2419471625665002
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Energy: 1.2606574876663794
Energy: 1.2886759229347375
Energy: 1.2974285008362194
Energy: 1.1601202457484483
Energy: 1.2986202610824908
Energy: 1.272927642638107
Energy: 1.3305840042265622
Energy: 1.2886759229330709
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Energy: 1.199493813283784
Energy: 1.2672064239374121
Energy: 1.2009111522122933
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Energy: 1.1988313565376978
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Energy: 1.20091115221146
Energy: 1.2780094854719806
Energy: 1.3260641958452324
Energy: 1.3265174577916072
Energy: 1.1780002699949692
Energy: 1.3121355232898935
Energy: 1.2359795941350729
Energy: 1.4220002205646958
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minimum gb energy = 1.1601202457484483 eV
minimum distance =  2.19071940250598 Angstroms
sigma value = 105


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

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Energy: 1.2922845030403516
Energy: 1.1725623851268052
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Energy: 1.388746396389977
Energy: 1.2792860162386341
Energy: 1.1408597054782672
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Energy: 1.2532386774389037
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Energy: 1.1302426891095054
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Energy: 1.2532386774389037
Energy: 1.2906502312840051
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Energy: 1.0999514648739972
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Energy: 1.2181657012924727
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Energy: 1.099951464872117
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Energy: 1.2408501914178232
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Energy: 1.281334142393387
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Energy: 1.1617419959178543
Energy: 1.3103352691940373
Energy: 1.068006910570613
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Energy: 1.2044689774321615
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Energy: 1.0680069105702994
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Energy: 1.2921925511166874
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Energy: 1.2867970149972725
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Energy: 1.2195470524159508
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Energy: 1.2280514985226552
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Energy: 1.1016828171250972
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Energy: 1.2161325130419196
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Energy: 1.2012496781490718
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Energy: 1.216096463089013
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Energy: 1.3032736354502854
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Energy: 1.0989004677806644
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Energy: 1.2049937383425946
Energy: 1.3032736354493453
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Energy: 1.2925994469653577
Energy: 1.2311775292834004
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Energy: 1.224010623498683
Energy: 1.2228923783466688
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Energy: 1.4198792246192502
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Energy: 1.2370510062905373
Energy: 1.2240106234974293
Energy: 1.2523735525413315
Energy: 1.2362093344709804
Energy: 1.19773680222577
Energy: 1.4197744201251736
Energy: 1.2327716871908145
Energy: 1.3168375751443584
Energy: 1.2275465347640366
Energy: 1.2362093344709804
Energy: 1.19773680222577
Energy: 1.4197744201258002
Energy: 1.232771687190188
Energy: 1.2545470526970584
Energy: 1.3646634167245444
Energy: 1.179487365099955
Energy: 1.2038778317279735
Energy: 1.2924037092395533
Energy: 1.221574166645416
Energy: 1.2545470526970584
Energy: 1.3646634167245444
Energy: 1.179487365099955
Energy: 1.2038778317282868
Energy: 1.205286978869638
Energy: 1.2182821232711962
Energy: 1.4781462327463104
Energy: 1.1653092967239331
Energy: 1.2712783510406178
Energy: 1.201255887908291
Energy: 1.205286978869638
Energy: 1.218282123269943
Energy: 1.4781462327466237
Energy: 1.165309296722993
Energy: 1.281536778503519
Energy: 1.1303236673858528
Energy: 1.2925803824308595
Energy: 1.106093119139747
Energy: 1.3052383139284303
Energy: 1.217368145445231
Energy: 1.2815367785041458
Energy: 1.1303236673861659
Energy: 1.2925803824321132
Energy: 1.1060931191403736
Energy: 1.0632850038627693
Energy: 1.2237487880785878
Energy: 1.1519219800398905
Energy: 1.232896924188483
Energy: 1.419572027409319
Energy: 1.1009080672870353
Energy: 1.0632850038627693
Energy: 1.2237487880792146
Energy: 1.1519219800408305
Energy: 1.2328969241887966
Energy: 1.229737696294877
Energy: 1.261247025797765
Energy: 1.1001868019508223
Energy: 1.1679037619350778
Energy: 1.2271913739138192
Energy: 1.231151733402382
Energy: 1.229737696295817
Energy: 1.261247025797765
Energy: 1.1001868019476884
Energy: 1.1679037619341377
Energy: 1.2010467493538224
Energy: 1.2862946874879007
Energy: 1.237725091534075
Energy: 1.2926031896312284
Energy: 1.2902246363731582
Energy: 1.2923706924297074
Energy: 1.201046749353509
Energy: 1.2862946874885277
Energy: 1.2377250915337616
Energy: 1.2926031896315417

minimum gb energy = 1.0632850038627693 eV
minimum distance =  2.21861191466746 Angstroms
sigma value = 165


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

Energy: 1.2186912163692296
Energy: 1.344383420021171
Energy: 1.166932735205296
Energy: 1.219973149906918
Energy: 1.1669197397390778
Energy: 1.3444411174234694
Energy: 1.2186912163692296
Energy: 1.344383420021171
Energy: 1.166932735206372
Energy: 1.2199731495821173
Energy: 1.177475558449974
Energy: 1.192739473449178
Energy: 1.1666678165592042
Energy: 1.2000875462862721
Energy: 1.151533861269153
Energy: 1.1760860471789287
Energy: 1.177475558449974
Energy: 1.192739473449178
Energy: 1.1666678165592042
Energy: 1.200087546285196
Energy: 1.1753717985965542
Energy: 1.3567784979003794
Energy: 1.2389495714940313
Energy: 1.1865862606434083
Energy: 1.1818666985416941
Energy: 1.2543356364854608
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Energy: 1.3567784978993036
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Energy: 1.1865862606423325
Energy: 1.1856947282385772
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Energy: 1.1758228560806356
Energy: 1.1758072611684611
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Energy: 1.1932174381163378
Energy: 1.1758228560806356
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Energy: 1.1756267249417955
Energy: 1.1827359996652904
Energy: 1.183085085094407
Energy: 1.1755035040866675
Energy: 1.1862180150128574
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Energy: 1.1515847126298042
Energy: 1.2008710144317025
Energy: 1.1670425498495853
Energy: 1.2458404082954484
Energy: 1.1862180150128574
Energy: 1.1756751496308109
Energy: 1.1515847126298042
Energy: 1.2008710144317025
Energy: 1.19347853243932
Energy: 1.174903687296512
Energy: 1.1758590982508015
Energy: 1.1866611000093115
Energy: 1.1667900831051021
Energy: 1.1758226980057962
Energy: 1.19347853243932
Energy: 1.174903687296512
Energy: 1.1758590982497257
Energy: 1.1866611000093115
Energy: 1.1759944081673717
Energy: 1.2616035063959963
Energy: 1.1943670500718968
Energy: 1.3564432348981037
Energy: 1.181729737698769
Energy: 1.1763336587413662
Energy: 1.1759944081684475
Energy: 1.2616035063959963
Energy: 1.1943670500729728
Energy: 1.3564432348981037
Energy: 1.1756818669087548
Energy: 1.1931087461843428
Energy: 1.193818891322859
Energy: 1.1856594255127282
Energy: 1.1514659982571958
Energy: 1.1758155265290584
Energy: 1.1756818669098308
Energy: 1.1931087461843428
Energy: 1.193818891322859
Energy: 1.1856594255127282
Energy: 1.1865304596189272
Energy: 1.2389495714929553
Energy: 1.3567919261041306
Energy: 1.175373226765551
Energy: 1.2543356364854608
Energy: 1.1818512753898298
Energy: 1.1865304596189272
Energy: 1.2389495714940313
Energy: 1.3567919261041306
Energy: 1.175373226765551
Energy: 1.2000420446452023
Energy: 1.1668373551894016
Energy: 1.1927214085989248
Energy: 1.1774999383480387
Energy: 1.1760975046663604
Energy: 1.1516863742331274
Energy: 1.2000420446452023
Energy: 1.1668373551894016
Energy: 1.1927214085989248
Energy: 1.1774999383491143
Energy: 1.2378548395162037
Energy: 1.1669197397380022
Energy: 1.3444411174234694
Energy: 1.2186912163692296
Energy: 1.344383420021171
Energy: 1.166932735206372
Energy: 1.202151925728124
Energy: 1.1669197397380022
Energy: 1.3444411174234694
Energy: 1.2186912163692296

minimum gb energy = 1.1514659982571958 eV
minimum distance =  2.25509087812503 Angstroms
sigma value = 41


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

Energy: 1.3637056442428637
Energy: 1.2235049182458795
Energy: 1.1017789075617095
Energy: 1.2095999357885543
Energy: 1.0970851180773191
Energy: 1.17934867134883
Energy: 1.3637056442445332
Energy: 1.2235049182471316
Energy: 1.101778907562127
Energy: 1.2604858811068804
Energy: 1.2407068843967877
Energy: 1.1780307920238229
Energy: 1.0995022910299608
Energy: 1.134944850964322
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Energy: 1.1274413109951147
Energy: 1.1269229358539088
Energy: 1.1766918445285217
Energy: 1.1155642465356854
Energy: 1.1256147260283396
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Energy: 1.1155642465348505
Energy: 1.2607086953122077
Energy: 1.1279124720930302
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Energy: 1.1094283592552945
Energy: 1.193764185077042
Energy: 1.100678254378308
Energy: 1.2607086953126254
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Energy: 1.1218020437097869
Energy: 1.1094283592561294
Energy: 1.1605233728319164
Energy: 1.1216699221760529
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Energy: 1.128719093729875
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Energy: 1.160523372831499
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Energy: 1.1025889301533165
Energy: 1.1725794275178492
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Energy: 1.1286912055811853
Energy: 1.0997279486540272
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Energy: 1.1108589925304468
Energy: 1.172579427518646
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Energy: 1.0997279486552793
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Energy: 1.2419559287879574
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Energy: 1.1253059833710133
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Energy: 1.1274307151472136
Energy: 1.0997735863444285
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Energy: 1.1006592088056977
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Energy: 1.291383196484146
Energy: 1.250581586423582
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Energy: 1.1005998773918784
Energy: 1.2913831964828941
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Energy: 1.1074011845170442
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Energy: 1.2919693473466227
Energy: 1.0959876479904271
Energy: 1.1367629340800693
Energy: 1.1271023285515598
Energy: 1.1268649691211177
Energy: 1.1763556044331718
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Energy: 1.1843314847873783
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Energy: 1.172867530802669
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Energy: 1.1190264094049622
Energy: 1.1599420061259287
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Energy: 1.1918635086732239
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Energy: 1.1856178311186178
Energy: 1.1190264094032927
Energy: 1.15994200610798
Energy: 1.122227987033672
Energy: 1.1918635086723892
Energy: 1.110488187341582
Energy: 1.1733965511937006
Energy: 1.1242283769777912
Energy: 1.132376219079951
Energy: 1.0998519707278138
Energy: 1.1407963464932365
Energy: 1.1104881873411643
Energy: 1.1733965511928657
Energy: 1.1242283769782084
Energy: 1.132376219079951
Energy: 1.1098910059947265
Energy: 1.1877496173271853
Energy: 1.1276343143831016
Energy: 1.1269764121908223
Energy: 1.2003192572991297
Energy: 1.127686524194407
Energy: 1.1098910059938918
Energy: 1.1877496173255158
Energy: 1.1276343143843537
Energy: 1.126976412191657
Energy: 1.17292997661536
Energy: 1.1007462154556902
Energy: 1.2116115377370544
Energy: 1.1056323150577168
Energy: 1.1211709070880225
Energy: 1.1067345658434653
Energy: 1.1729299766141077
Energy: 1.1007462154536032
Energy: 1.211611537737889
Energy: 1.1056323150589689
Energy: 1.1275598723746532
Energy: 1.0997678347621447
Energy: 1.209544570248551
Energy: 1.1357344802563365
Energy: 1.2458544012299044
Energy: 1.2424915437435977
Energy: 1.1275598723650526
Energy: 1.0997678347617275
Energy: 1.2095445702493857
Energy: 1.1357344802563365
Energy: 1.1797987766299214
Energy: 1.111137874288434
Energy: 1.2067121897304374
Energy: 1.216021699812297
Energy: 1.1295605460659888
Energy: 1.0986611728280364
Energy: 1.1797987766295037
Energy: 1.111137874287599
Energy: 1.2067121897300197
Energy: 1.2160216998135494

minimum gb energy = 1.095374380996313 eV
minimum distance =  2.19819581457192 Angstroms
sigma value = 185


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

Energy: 1.1840887870820207
Energy: 1.1725940313726173
Energy: 1.3416887238936273
Energy: 1.3821459323985983
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Energy: 1.1736130333167751
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Energy: 1.1646486944486143
Energy: 1.1549732548580924
Energy: 1.1577018356238988
Energy: 1.140088550385575
Energy: 1.1551240457735659
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Energy: 1.3503841507667298
Energy: 1.3996473160407055
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Energy: 1.1400885503860707
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Energy: 1.3503841507667298
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Energy: 1.341620349340115
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Energy: 1.1785102079016492
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Energy: 1.348884551064392
Energy: 1.165940365976487
Energy: 1.341620349340115
Energy: 1.2296918046697605
Energy: 1.1785102079026402
Energy: 1.1786447634853825
Energy: 1.2842308951341244
Energy: 1.3416304653452442
Energy: 1.1653293084620293
Energy: 1.2926214661964406
Energy: 1.1722492697010762
Energy: 1.178644763483896
Energy: 1.1910193877841795
Energy: 1.341630465344253
Energy: 1.1653293084600471
Energy: 1.4143268110084255
Energy: 1.2015949017083725
Energy: 1.1550734587220524
Energy: 1.2005573933066251
Energy: 1.147720313421626
Energy: 1.400053874676013
Energy: 1.4143268110079301
Energy: 1.201594901707877
Energy: 1.155073458724034
Energy: 1.2005573933071207
Energy: 1.1577351881403384
Energy: 1.1550378228329061
Energy: 1.1648528105017755
Energy: 1.3386507882276868
Energy: 1.1475820723876107
Energy: 1.1578860724176427
Energy: 1.1577351881403384
Energy: 1.1550378228329061
Energy: 1.1648528105017755
Energy: 1.338650788237101
Energy: 1.404521107919175
Energy: 1.373785686135365
Energy: 1.1657029967197847
Energy: 1.1470196301523963
Energy: 1.1470765975867536
Energy: 1.16467426467301
Energy: 1.4045211079176885
Energy: 1.3737856861363558
Energy: 1.1657029967197847
Energy: 1.1470196301543782
Energy: 1.1708679671969915
Energy: 1.1551462231938985
Energy: 1.292868515171193
Energy: 1.4138939934235926
Energy: 1.2329094282167368
Energy: 1.1659277919522093
Energy: 1.1708679671974869
Energy: 1.1551462231948897
Energy: 1.292868515170202
Energy: 1.4138939934245838

minimum gb energy = 1.1068097167169162 eV
minimum distance =  2.18550558468004 Angstroms
sigma value = 33


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

Energy: 1.19527541944103
Energy: 1.2366646939701267
Energy: 1.1832348139050446
Energy: 1.3486740962756651
Energy: 1.171575333733752
Energy: 1.236645682880588
Energy: 1.195275419439398
Energy: 1.2366646939706705
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Energy: 1.364485115620688
Energy: 1.342759152730383
Energy: 1.198069434538114
Energy: 1.132216602505065
Energy: 1.1505271400437338
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Energy: 1.193706200709406
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Energy: 1.1702866427362868
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Energy: 1.270767717040213
Energy: 1.1715505066037089
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Energy: 1.1719181451014968
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Energy: 1.167789534271692
Energy: 1.2008289007359938
Energy: 1.3202954742292434
Energy: 1.2342042726987268
Energy: 1.1549021663849528
Energy: 1.180707752862312
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Energy: 1.2882810514670682
Energy: 1.1359785511323957
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Energy: 1.318709369617513
Energy: 1.2276709622111914
Energy: 1.1949120895462693
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Energy: 1.163031148318718
Energy: 1.1686130374977242
Energy: 1.2059960349679917
Energy: 1.2484373387527554
Energy: 1.1949120895470853
Energy: 1.2559834887225483
Energy: 1.16303114831899
Energy: 1.1686130374999002
Energy: 1.2429640363085734
Energy: 1.1668912767928985
Energy: 1.1174095254887635
Energy: 1.1688404728862498
Energy: 1.1804236314913743
Energy: 1.2085181335796695
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Energy: 1.1668912767937147
Energy: 1.1174095254909395
Energy: 1.1688404728854338
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Energy: 1.334327882760888
Energy: 1.303367996805618
Energy: 1.17309226541596
Energy: 1.1555734310672148
Energy: 1.266480094445035
Energy: 1.1520151550213469

minimum gb energy = 1.1174095254887635 eV
minimum distance =  2.23252056346715 Angstroms
sigma value = 219


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

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Energy: 1.132562553184252
Energy: 1.09512385294973
Energy: 1.2163127574825547
Energy: 1.095096292400758
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Energy: 1.1312431874954048
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Energy: 1.0951821764754635
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Energy: 1.110324051343787
Energy: 1.0557533439013984
Energy: 1.1312431876159768
Energy: 1.055955076247911
Energy: 1.0951821764754635
Energy: 1.0553712751693896
Energy: 1.1055614467132342
Energy: 1.0961639652361714
Energy: 1.0949136914890514
Energy: 1.0560872526268565
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Energy: 1.0553712751693896
Energy: 1.1055614467132342
Energy: 1.0961639652361714
Energy: 1.0949136914872513
Energy: 1.0955186910901145
Energy: 1.0951407275849179
Energy: 1.0953853381955667
Energy: 1.3058182274184964
Energy: 1.1660175500942387
Energy: 1.1327169405164115
Energy: 1.0955186910901145
Energy: 1.1314921010904253
Energy: 1.0953853381955667
Energy: 1.3058182274184964

minimum gb energy = 1.0551469202115793 eV
minimum distance =  2.31510078900213 Angstroms
sigma value = 15


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

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Energy: 1.290862276458462
Energy: 1.2836981108794636
Energy: 1.3919411383980294
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Energy: 1.3149756371560806
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Energy: 1.288253372716514
Energy: 1.3316489369552729
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minimum gb energy = 1.2641233301773551 eV
minimum distance =  2.22903075701669 Angstroms
sigma value = 293


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

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Energy: 1.4907688881702725
Energy: 1.2539935173388015
Energy: 1.4070032524060714
Energy: 1.323896554646436
Energy: 1.3074381422173846
Energy: 1.4955866823777366
Energy: 1.3611918568861814
Energy: 1.3193880791658437
Energy: 1.3439854045228503
Energy: 1.3193834830297784
Energy: 1.3618788368568833
Energy: 1.4955866823777366
Energy: 1.3611918568857748
Energy: 1.3193880791658437
Energy: 1.3439854045216304
Energy: 1.2540340675840462
Energy: 1.4905947954351895
Energy: 1.3189313518859043
Energy: 1.3074455259551743
Energy: 1.3239125930791864
Energy: 1.4070076013341717
Energy: 1.2540340675848594
Energy: 1.4905947954351895
Energy: 1.3189313518859043
Energy: 1.3074455259547675
Energy: 1.3531113818727727
Energy: 1.252705694690386
Energy: 1.3606855825294344
Energy: 1.3281094595040026
Energy: 1.3851595062389754
Energy: 1.2633778000153508
Energy: 1.3531113818731795
Energy: 1.252705694690386
Energy: 1.3606855825298407
Energy: 1.3281094595044094
Energy: 1.3816530454063
Energy: 1.254191960659516
Energy: 1.307456590190042
Energy: 1.304466677777065
Energy: 1.2973042571096258
Energy: 1.3278609096629086
Energy: 1.3816530454050804
Energy: 1.254191960659516
Energy: 1.3074565901896356
Energy: 1.3044666777766583
Energy: 1.2878586260952194
Energy: 1.427582764591756
Energy: 1.3355390999829924
Energy: 1.2555033287259758
Energy: 1.5130247598515758
Energy: 1.2781652595105781
Energy: 1.2878586260960327
Energy: 1.4275827645921626
Energy: 1.335539099983399
Energy: 1.2555033287259758
Energy: 1.2877600856885472
Energy: 1.2882398238278645
Energy: 1.3507765137170356
Energy: 1.3219078285280836
Energy: 1.3341294037505018
Energy: 1.2963353783159528
Energy: 1.2877600856889537
Energy: 1.2882398238278645
Energy: 1.350776513716629
Energy: 1.3219078285293033
Energy: 1.3271127569482075
Energy: 1.3044585373857756
Energy: 1.263492056303163
Energy: 1.458729116891085
Energy: 1.2568203495311492
Energy: 1.3578780144638922
Energy: 1.3271127569482075
Energy: 1.304458537385369
Energy: 1.2634920563027565
Energy: 1.458729116891085
Energy: 1.328072564756005
Energy: 1.3426820439864087
Energy: 1.3426784527971565
Energy: 1.3280772236352716
Energy: 1.2747473719323295
Energy: 1.274709344514879
Energy: 1.328072564756005
Energy: 1.342682043986002
Energy: 1.3426784527971565
Energy: 1.328077223635678
Energy: 1.4586271689725927
Energy: 1.2635197232519735
Energy: 1.3049470621510109
Energy: 1.3269584418806675
Energy: 1.3578030081410415
Energy: 1.256851693588138
Energy: 1.458627168972186
Energy: 1.2635197232515667
Energy: 1.3049470621506043
Energy: 1.326958441880261
Energy: 1.322136050795866
Energy: 1.3507873172179856
Energy: 1.2882274526848467
Energy: 1.2877369865662878
Energy: 1.2963607570013518
Energy: 1.3341796427980575
Energy: 1.322136050795866
Energy: 1.3507873172179856
Energy: 1.2882274526848467
Energy: 1.2877369865666946
Energy: 1.2553865325353448
Energy: 1.335571264517151
Energy: 1.4275827645913493
Energy: 1.287859267267439
Energy: 1.2781516810839793
Energy: 1.5130247598519824
Energy: 1.2553865325353448
Energy: 1.3355712645167443
Energy: 1.4275827645909427
Energy: 1.287859267267439
Energy: 1.3044681136678289
Energy: 1.307464152688574
Energy: 1.254224558329171
Energy: 1.381649418157131
Energy: 1.3278358173627791
Energy: 1.2978629953044736
Energy: 1.3044681136682352
Energy: 1.307464152688574
Energy: 1.254224558329171
Energy: 1.381649418158351

minimum gb energy = 1.2526937189593823 eV
minimum distance =  2.19445836064187 Angstroms
sigma value = 293


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

Energy: 1.072094006130165
Energy: 1.1178283066070478
Energy: 1.1173419586711517
Energy: 1.5447924455095146
Energy: 1.1173331267219817
Energy: 1.117917737617416
Energy: 1.072094006130165
Energy: 1.1178283066077828
Energy: 1.1173419586711517
Energy: 1.4255869509468078
Energy: 1.117274735254108
Energy: 1.6689296279116692
Energy: 1.1172531403717811
Energy: 1.4636035523408595
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.117274735254108
Energy: 1.4242764469382183
Energy: 1.1172531403717811
Energy: 1.4636035523415947
Energy: 1.1473923287593943
Energy: 1.0711152296822186
Energy: 1.5873860034223537
Energy: 1.0708708227079085
Energy: 1.1521111550826302
Energy: 1.117619664158281
Energy: 1.1473923287601293
Energy: 1.0711152296814839
Energy: 1.5873860034230887
Energy: 1.0708708227079085
Energy: 1.5873326663627967
Energy: 1.071101171412315
Energy: 1.1473938646517547
Energy: 1.117613867302833
Energy: 1.1519923864320891
Energy: 1.0708667485872203
Energy: 1.5873326663627967
Energy: 1.071101171412315
Energy: 1.1473938646510198
Energy: 1.1176138673035683
Energy: 1.1172426082921953
Energy: 1.431095226529646
Energy: 1.117226373362343
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Energy: 1.639630287639659
Energy: 1.3394620067441454
Energy: 1.1172426082921953
Energy: 1.7717009217216457
Energy: 1.117226373362343
Energy: 1.118125136725095
Energy: 1.1173331267219817
Energy: 1.117917737617416
Energy: 1.072094006130165
Energy: 1.1178283066077828
Energy: 1.1173419586711517
Energy: 1.5447924455087798
Energy: 1.1173331267219817
Energy: 1.117917737618151
Energy: 1.072094006130165
Energy: 1.1178283066077828
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.117274735254108
Energy: 1.6689296279116692
Energy: 1.1172531403717811
Energy: 1.4636035523408595
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.117274735253373
Energy: 1.4242764469382183
Energy: 1.1521111550826302
Energy: 1.117619664157546
Energy: 1.1473923287593943
Energy: 1.0711152296814839
Energy: 1.5873860034223537
Energy: 1.0708708227079085
Energy: 1.1521111550826302
Energy: 1.117619664158281
Energy: 1.1473923287601293
Energy: 1.0711152296814839
Energy: 1.1519923864320891
Energy: 1.0708667485872203
Energy: 1.5873326663627967
Energy: 1.071101171412315
Energy: 1.1473938646517547
Energy: 1.117613867302833
Energy: 1.1519923864320891
Energy: 1.0708667485872203
Energy: 1.5873326663627967
Energy: 1.071101171412315
Energy: 1.639630287640394
Energy: 1.4230256808789985
Energy: 1.1172426082921953
Energy: 1.4310952265303807
Energy: 1.117226373362343
Energy: 1.118125136725095
Energy: 1.639630287639659
Energy: 1.3394620067441454
Energy: 1.1172426082921953
Energy: 1.7717009217216457
Energy: 1.1173419586711517
Energy: 1.5641669001042497
Energy: 1.1173331267219817
Energy: 1.117917737617416
Energy: 1.072094006130165
Energy: 1.1178283066070478
Energy: 1.1173419586711517
Energy: 1.5447924455095146
Energy: 1.1173331267219817
Energy: 1.117917737618151
Energy: 1.1172531403717811
Energy: 1.4636035523415947
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.117274735254108
Energy: 1.6689296279124042
Energy: 1.1172531403717811
Energy: 1.4636035523408595
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.5873860034230887
Energy: 1.0708708227079085
Energy: 1.1521111550826302
Energy: 1.117619664157546
Energy: 1.1473923287593943
Energy: 1.0711152296822186
Energy: 1.5873860034230887
Energy: 1.0708708227079085
Energy: 1.1521111550826302
Energy: 1.117619664158281
Energy: 1.1473938646517547
Energy: 1.1176138673035683
Energy: 1.1519923864320891
Energy: 1.0708667485872203
Energy: 1.5873326663627967
Energy: 1.071101171412315
Energy: 1.1473938646517547
Energy: 1.117613867302833
Energy: 1.1519923864320891
Energy: 1.0708667485879553
Energy: 1.117226373362343
Energy: 1.118125136725095
Energy: 1.639630287640394
Energy: 1.3394620067441454
Energy: 1.1172426082921953
Energy: 1.4310952265311159
Energy: 1.117226373362343
Energy: 1.118125136725095
Energy: 1.639630287639659
Energy: 1.3394620067441454
Energy: 1.072094006130165
Energy: 1.1178283066077828
Energy: 1.1173419586711517
Energy: 1.5641669001049847
Energy: 1.1173331267219817
Energy: 1.117917737617416
Energy: 1.072094006130165
Energy: 1.1178283066070478
Energy: 1.1173419586711517
Energy: 1.5447924455095146
Energy: 1.117274735254108
Energy: 1.7717009217216457
Energy: 1.1172531403717811
Energy: 1.4636035523415947
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.117274735254108
Energy: 1.6689296279124042
Energy: 1.1172531403717811
Energy: 1.4636035523415947
Energy: 1.1473923287601293
Energy: 1.0711152296814839
Energy: 1.5873860034230887
Energy: 1.0708708227079085
Energy: 1.1521111550826302
Energy: 1.117619664157546
Energy: 1.1473923287593943
Energy: 1.0711152296822186
Energy: 1.5873860034230887
Energy: 1.0708708227079085
Energy: 1.5873326663635314
Energy: 1.071101171412315
Energy: 1.1473938646510198
Energy: 1.1176138673035683
Energy: 1.1519923864320891
Energy: 1.0708667485872203
Energy: 1.5873326663627967
Energy: 1.071101171412315
Energy: 1.1473938646517547
Energy: 1.1176138673035683
Energy: 1.1172426082921953
Energy: 1.4538580178749534
Energy: 1.117226373362343
Energy: 1.118125136725095
Energy: 1.639630287640394
Energy: 1.3394620067448806
Energy: 1.11724260829293
Energy: 1.4310952265311159
Energy: 1.117226373362343
Energy: 1.11812513672436
Energy: 1.1173331267219817
Energy: 1.117917737618151
Energy: 1.072094006130165
Energy: 1.1178283066077828
Energy: 1.1173419586711517
Energy: 1.5641669001057197
Energy: 1.1173331267219817
Energy: 1.117917737617416
Energy: 1.072094006130165
Energy: 1.1178283066077828
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.117274735254108
Energy: 1.7717009217223807
Energy: 1.1172531403717811
Energy: 1.4636035523415947
Energy: 1.6395808406094179
Energy: 1.1181902331447946
Energy: 1.117274735254108
Energy: 1.6689296279116692

minimum gb energy = 1.0708667485872203 eV
minimum distance =  2.22200284877173 Angstroms
sigma value = 15


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

Energy: 1.484307587745522
Energy: 1.1951821776478475
Energy: 1.2697999652223635
Energy: 1.2996914085510511
Energy: 1.2698001948121818
Energy: 1.1950717262167854
Energy: 1.484307587745522
Energy: 1.1951821776485139
Energy: 1.2697999652230298
Energy: 1.2996914085500517
Energy: 1.3214789447706659
Energy: 1.286673269504218
Energy: 1.2673104606812202
Energy: 1.2731828716359073
Energy: 1.2920941973212698
Energy: 1.2417841340286533
Energy: 1.3214789447696664
Energy: 1.2866732695039151
Energy: 1.2673104606802208
Energy: 1.2731828716359073
Energy: 1.2819344281770275
Energy: 1.2349797950650865
Energy: 1.3743545319468606
Energy: 1.2774047246833515
Energy: 1.2784055482031507
Energy: 1.3922157704202271
Energy: 1.2819344281763612
Energy: 1.2349797950644201
Energy: 1.374354531947194
Energy: 1.2774047246833515
Energy: 1.3747440333000651
Energy: 1.2347425296678987
Energy: 1.2884072775088962
Energy: 1.3031558322766226
Energy: 1.3210569677736184
Energy: 1.2417257492432192
Energy: 1.3747440332993988
Energy: 1.2347425296678987
Energy: 1.2884072775095625
Energy: 1.303155832277289
Energy: 1.254200479304497
Energy: 1.3032954550329503
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Energy: 1.3100378577828506
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Energy: 1.228906385372353
Energy: 1.254200479304497
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Energy: 1.2362946174389102
Energy: 1.3100378577828506
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Energy: 1.1948061730053656
Energy: 1.2640851900976573
Energy: 1.2660251516548464
Energy: 1.2523131992435366
Energy: 1.2863612484638003
Energy: 1.253665749720065
Energy: 1.1948061730046995
Energy: 1.2640851900979906
Energy: 1.2660251516548464
Energy: 1.3100907151590524
Energy: 1.196554149405292
Energy: 1.2080722179434236
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Energy: 1.277592143529875
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Energy: 1.1965541494062912
Energy: 1.2080722179427574
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Energy: 1.2448940135557225
Energy: 1.2398079898252772
Energy: 1.2432709848911128
Energy: 1.2631303560398326
Energy: 1.2825380545447036
Energy: 1.2749982470070949
Energy: 1.2448940135543898
Energy: 1.239807989824611
Energy: 1.2432709848911128
Energy: 1.2631303560401659
Energy: 1.264127501766697
Energy: 1.3231103646171267
Energy: 1.329431895194012
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Energy: 1.2254706645243771
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Energy: 1.3231103646167937
Energy: 1.3294318951930129
Energy: 1.267403973483414
Energy: 1.264085026729902
Energy: 1.2482637785882134
Energy: 1.2391983824524426
Energy: 1.2443851519289135
Energy: 1.2671870438212185
Energy: 1.2579016204303226
Energy: 1.2640850267302353
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Energy: 1.2391983824524426
Energy: 1.2443851519259153
Energy: 1.2590629518323575
Energy: 1.3237604200479491
Energy: 1.1968814035520623
Energy: 1.4145773198901355
Energy: 1.2573174144803947
Energy: 1.2757588712474852
Energy: 1.2590629518323575
Energy: 1.3237604200486155
Energy: 1.1968814035520623
Energy: 1.414577319889469
Energy: 1.2605605481499054
Energy: 1.2634249215440432
Energy: 1.304000074028772
Energy: 1.2347120861323202
Energy: 1.286663710075622
Energy: 1.26722688763223
Energy: 1.2605605481499054
Energy: 1.2634249215440432
Energy: 1.3040000740291051
Energy: 1.2347120861323202
Energy: 1.3459225590590163
Energy: 1.2533738976122344
Energy: 1.1967021357442813
Energy: 1.2550807951123055
Energy: 1.253456214443571
Energy: 1.2548058005761333
Energy: 1.3459225590586832
Energy: 1.253373897611235
Energy: 1.1967021357442813
Energy: 1.2550807951119725
Energy: 1.2668952094682098
Energy: 1.3870426408898175
Energy: 1.235097278825798
Energy: 1.3360133514899701
Energy: 1.2920579818897115
Energy: 1.2765510467594694
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Energy: 1.3870426408898175
Energy: 1.2350972788254646
Energy: 1.3360133514903032
Energy: 1.2748988720726868
Energy: 1.3857823588782312
Energy: 1.2588003552795612
Energy: 1.2463330228434748
Energy: 1.2640565198799905
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Energy: 1.2748988720720205
Energy: 1.3857823588768983
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Energy: 1.2463330228438079
Energy: 1.2118026106181463
Energy: 1.2746844211845394
Energy: 1.3561674522264235
Energy: 1.2739259098940514
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Energy: 1.2118026106184796
Energy: 1.2746844211852058
Energy: 1.3561674522257574
Energy: 1.2739259098947175
Energy: 1.2989882409253757
Energy: 1.2675752931714834
Energy: 1.2411140181374154
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Energy: 1.2642375600019902
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Energy: 1.3844340681787015
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Energy: 1.2867717917488573
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Energy: 1.3040357838579073
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Energy: 1.267857792110272
Energy: 1.2671505451956326
Energy: 1.3661157423617023
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Energy: 1.2640985225272745
Energy: 1.267857792110272
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Energy: 1.366115742364034
Energy: 1.2547870590982215
Energy: 1.3085850334575468
Energy: 1.2534415764194349
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Energy: 1.29973252628381
Energy: 1.322542228087973
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Energy: 1.274842042236189
Energy: 1.2997325262828103
Energy: 1.2703480590974698
Energy: 1.2987665582036934
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Energy: 1.197034277639851
Energy: 1.2397917782421195
Energy: 1.2445667643239275
Energy: 1.2703480590981358
Energy: 1.2987665582033603
Energy: 1.2595246639137858
Energy: 1.197034277639851
Energy: 1.2671774652914576
Energy: 1.2915967260817214
Energy: 1.2249209571075865
Energy: 1.2882487824501705
Energy: 1.1967208855736966
Energy: 1.2816912802699565
Energy: 1.2671774652914576
Energy: 1.2915967260820547
Energy: 1.2249209571075865
Energy: 1.2882487824505036
Energy: 1.371892793160287
Energy: 1.252320910188816
Energy: 1.2761428706992195
Energy: 1.263928355547028
Energy: 1.2669994828181865
Energy: 1.2385637874213005
Energy: 1.3718927931599536
Energy: 1.2523209101894823
Energy: 1.276142870699886
Energy: 1.2639283555463618
Energy: 1.2690936574844416
Energy: 1.3038511797251646
Energy: 1.3003119819909243
Energy: 1.264275995398526
Energy: 1.3591880231490194
Energy: 1.2387762973846572
Energy: 1.2690936574841085
Energy: 1.3038511797251646
Energy: 1.3003119819912576
Energy: 1.264275995398526
Energy: 1.1963040115276782
Energy: 1.292857744831292
Energy: 1.2659122812673822
Energy: 1.2254379215608409
Energy: 1.2535932026895602
Energy: 1.3332136199911588
Energy: 1.1963040115273451
Energy: 1.2928577448309586
Energy: 1.2659122812680486
Energy: 1.2254379215608409
Energy: 1.444781256883798
Energy: 1.2539411185254679
Energy: 1.277516789015741
Energy: 1.3056530280542928
Energy: 1.2542099937652222
Energy: 1.2823072467901835
Energy: 1.444781256883798
Energy: 1.2539411185261342
Energy: 1.2775167890164074
Energy: 1.305653028053627
Energy: 1.1964533877401702
Energy: 1.3961317876258277
Energy: 1.2762567214101486
Energy: 1.2647836913306292
Energy: 1.388120597233078
Energy: 1.2826232557409916
Energy: 1.1964533877395038
Energy: 1.396131787626161
Energy: 1.2762567214104816
Energy: 1.2647836913306292
Energy: 1.2662369625154222
Energy: 1.2631943317511876
Energy: 1.242442169578225
Energy: 1.2644070430034962
Energy: 1.238678485430329
Energy: 1.4480311826759775
Energy: 1.266236962515089
Energy: 1.2631943317501881
Energy: 1.2621490617833744
Energy: 1.264407043003163
Energy: 1.2997945497124888
Energy: 1.2665763689334388
Energy: 1.2738431036402365
Energy: 1.2127074974570755
Energy: 1.2773383778466274
Energy: 1.2633975494174776
Energy: 1.2997945497124888
Energy: 1.2665763689331055
Energy: 1.2738431036405695
Energy: 1.2127074974574088
Energy: 1.2021444994274972
Energy: 1.3465901995509213
Energy: 1.27694931606119
Energy: 1.2917429273908465
Energy: 1.3463233513460022
Energy: 1.2631471865301849
Energy: 1.202144499427164
Energy: 1.3465901995512544
Energy: 1.27694931606119
Energy: 1.2917429273925123
Energy: 1.2285199225880643
Energy: 1.270704906205462
Energy: 1.2676509523433517
Energy: 1.2909008898616887
Energy: 1.2416730574739927
Energy: 1.2727577715616092
Energy: 1.2285199225883972
Energy: 1.2707049062064615
Energy: 1.2676509523436845
Energy: 1.2909008898616887
Energy: 1.2846827956466569
Energy: 1.1946926024505544
Energy: 1.3010180088826127
Energy: 1.2109972708392245
Energy: 1.2741758682886546
Energy: 1.2632617488640472
Energy: 1.28468279564699
Energy: 1.1946926024508877
Energy: 1.3010180088826127
Energy: 1.2109972708392245
Energy: 1.1948972433720095
Energy: 1.2588512187218435
Energy: 1.2386248144865795
Energy: 1.267010674497344
Energy: 1.2828772197442033
Energy: 1.2664090824176113
Energy: 1.1948972433720095
Energy: 1.2588512187224792
Energy: 1.2386248144875789
Energy: 1.2670106744963445
Energy: 1.2338443960162788
Energy: 1.2825679090205522
Energy: 1.387498790260007
Energy: 1.2863859412407186
Energy: 1.2758592166100204
Energy: 1.3953924970808151
Energy: 1.2338443960156122
Energy: 1.2825679090215516
Energy: 1.387498790260007
Energy: 1.2863859412407186
Energy: 1.2550835447832807
Energy: 1.2435749051674077
Energy: 1.2634302305323613
Energy: 1.3582406993173823
Energy: 1.2749616529534598
Energy: 1.2551742336185001
Energy: 1.2550835447826143
Energy: 1.2435749051670746
Energy: 1.2634302305320282
Energy: 1.358240699318715
Energy: 1.2687737682450888
Energy: 1.2936943909522853
Energy: 1.2531203584441895
Energy: 1.2254159378714002
Energy: 1.2649488438822232
Energy: 1.2888592247486852
Energy: 1.2687737682444227
Energy: 1.2936943909522853
Energy: 1.2531203584441895
Energy: 1.2254159378707339
Energy: 1.2622769276458117
Energy: 1.2392802281767081
Energy: 1.4120277427961667
Energy: 1.267095548937103
Energy: 1.3143277553565802
Energy: 1.297979000211467
Energy: 1.2622769276454788
Energy: 1.2392802281770414
Energy: 1.4120277427958337
Energy: 1.267095548937436
Energy: 1.372930829812846
Energy: 1.1968553369113517
Energy: 1.4379973207673475
Energy: 1.2636568937235797
Energy: 1.2754386604844252
Energy: 1.2588981467518268
Energy: 1.3729308298138454
Energy: 1.1968553369106856
Energy: 1.4379973207673475
Energy: 1.2636568937245791
Energy: 1.2633505710647814
Energy: 1.300288527047292
Energy: 1.196694749833315
Energy: 1.2276257172145364
Energy: 1.2263601448027897
Energy: 1.291392043089296
Energy: 1.2633505710651145
Energy: 1.3002885270469589
Energy: 1.1966947498323155
Energy: 1.227625717214203
Energy: 1.2671582903782013
Energy: 1.1967249539278635
Energy: 1.2394707582507296
Energy: 1.2693831493996102
Energy: 1.2576473594809772
Energy: 1.3142414341907767
Energy: 1.2671582903778682
Energy: 1.196724953926864
Energy: 1.2394707582500635
Energy: 1.2693831493992769
Energy: 1.3088552121417003
Energy: 1.254560752434253
Energy: 1.280221208223675
Energy: 1.365561195395266
Energy: 1.2774741764481565
Energy: 1.2523703563403323
Energy: 1.3088552121413672
Energy: 1.2545607524345863
Energy: 1.2802212082240083
Energy: 1.3655611953942663
Energy: 1.3653851723436934
Energy: 1.2639461065275412
Energy: 1.2461172544425196
Energy: 1.2551848985104563
Energy: 1.245968207857926
Energy: 1.2749003337356983
Energy: 1.3653851723440267
Energy: 1.2639461065268751
Energy: 1.2461172544428527
Energy: 1.2551848985107894
Energy: 1.289518403665119
Energy: 1.2784185977983507
Energy: 1.3280991829033042
Energy: 1.2345893899794829
Energy: 1.3975956570911943
Energy: 1.2419388630805859
Energy: 1.2895184036654521
Energy: 1.2784185977983507
Energy: 1.3280991829039706
Energy: 1.2345893899788163
Energy: 1.264894245282154
Energy: 1.246549158772772
Energy: 1.2586017440612813
Energy: 1.4201739840473422
Energy: 1.2568071772642164
Energy: 1.362942487389587
Energy: 1.2648942452828202
Energy: 1.2465491587724389
Energy: 1.258601744060615
Energy: 1.4201739840483418
Energy: 1.212508933371566
Energy: 1.245381603817346
Energy: 1.2351674213407602
Energy: 1.2566323490262659
Energy: 1.2637253467445735
Energy: 1.276415946319054
Energy: 1.2125089333712327
Energy: 1.245381603817679
Energy: 1.2351674213414265
Energy: 1.2566323490262659
Energy: 1.290471256384739
Energy: 1.2673941128422117
Energy: 1.270316226581933
Energy: 1.2022934571656585
Energy: 1.3096702077315951
Energy: 1.2165717171764656
Energy: 1.2904712563854053
Energy: 1.2673941128418789
Energy: 1.2703162265822658
Energy: 1.2022934571659916

minimum gb energy = 1.1946926024505544 eV
minimum distance =  2.26275772749351 Angstroms
sigma value = 437


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

Energy: 1.2240573416822222
Energy: 1.325270774749963
Energy: 1.1913549347040744
Energy: 1.4561062827145317
Energy: 1.191163075255077
Energy: 1.3253566429852135
Energy: 1.224057341683436
Energy: 1.3252707747487493
Energy: 1.191354934701647
Energy: 1.4561062827133182
Energy: 1.197790604703953
Energy: 1.6553373610658892
Energy: 1.1914112976620754
Energy: 1.2168395464120618
Energy: 1.4300729083519867
Energy: 1.2146557431386638
Energy: 1.197790604703953
Energy: 1.655337361067103
Energy: 1.1914112976632891
Energy: 1.2168395464120618
Energy: 1.1474666134980738
Energy: 1.1646365287337463
Energy: 1.1919559157112152
Energy: 1.16452973444923
Energy: 1.1924151639506189
Energy: 1.2673852320090524
Energy: 1.1474666134956464
Energy: 1.1646365287337463
Energy: 1.19195591571607
Energy: 1.164529734450444
Energy: 1.223507173975225
Energy: 1.1639802368544376
Energy: 1.1911716828137817
Energy: 1.2146968665944662
Energy: 1.1918451750974337
Energy: 1.2145727804486144
Energy: 1.223507173975225
Energy: 1.1639802368580787
Energy: 1.1911716828137817
Energy: 1.2146968665932525
Energy: 1.1451697503888878
Energy: 1.1911197800369995
Energy: 1.1915919570207583
Energy: 1.1886239599231265
Energy: 1.1931313617865411
Energy: 1.1465190994250523
Energy: 1.1451697503888878
Energy: 1.1911197800369995
Energy: 1.1915919570195446
Energy: 1.1886239599219128
Energy: 1.206613460338788
Energy: 1.22138372476818
Energy: 1.1928528458036738
Energy: 1.1898828995796127
Energy: 1.1930439430796083
Energy: 1.1894518692106792
Energy: 1.2066134603400018
Energy: 1.2213837247669663
Energy: 1.1928528458036738
Energy: 1.1898828995796127
Energy: 1.192606848918129
Energy: 1.1683404708811298
Energy: 1.2790052671974215
Energy: 1.2095358437598023
Energy: 1.1918299193208126
Energy: 1.1647258130639229
Energy: 1.192606848918129
Energy: 1.168340470879916
Energy: 1.2790052671974215
Energy: 1.2095358437598023
Energy: 1.1865805916706555
Energy: 1.1650206056277677
Energy: 1.191924040946222
Energy: 1.2146935161552512
Energy: 1.191977907679841
Energy: 1.164084171991957
Energy: 1.1865805916706555
Energy: 1.165020605626554
Energy: 1.1919240409450085
Energy: 1.2146935161552512
Energy: 1.2019531021158179
Energy: 1.2098655586124392
Energy: 1.590286499105975
Energy: 1.1950515064997758
Energy: 1.1968047341679795
Energy: 1.3808205311362227
Energy: 1.2019531021170313
Energy: 1.2098655586124392
Energy: 1.5902864991047614
Energy: 1.1950515064997758
Energy: 1.1657205011703617
Energy: 1.1703353841611017
Energy: 1.1933668593382112
Energy: 1.1628627608480044
Energy: 1.191751889525919
Energy: 1.3261302367326944
Energy: 1.165720501169148
Energy: 1.1703353841611017
Energy: 1.1933668593394247
Energy: 1.1628627608467905
Energy: 1.2164822401649278
Energy: 1.2096746030568064
Energy: 1.1958877468599818
Energy: 1.2198331359697512
Energy: 1.2815572289820247
Energy: 1.1647738418031102
Energy: 1.2164822401479363
Energy: 1.2096746030568064
Energy: 1.1958877468611957
Energy: 1.2198331359697512
Energy: 1.145965545662284
Energy: 1.1648810232890583
Energy: 1.3579985328682291
Energy: 1.1640394482085161
Energy: 1.3579812270739
Energy: 1.164920884919795
Energy: 1.1459655456634978
Energy: 1.164881023290272
Energy: 1.3579985328682291
Energy: 1.1640394482097298
Energy: 1.2162146026530603
Energy: 1.164710746981674
Energy: 1.2815572289820247
Energy: 1.2198344316562677
Energy: 1.1958111464566432
Energy: 1.2097083619508344
Energy: 1.2162146026542737
Energy: 1.164710746982888
Energy: 1.2815572289820247
Energy: 1.2198344316562677
Energy: 1.1665508160235267
Energy: 1.32615969324372
Energy: 1.1919443638277116
Energy: 1.162839449509691
Energy: 1.1929269745088744
Energy: 1.1703202757265392
Energy: 1.1665508160247406
Energy: 1.32615969324372
Energy: 1.1919443638277116
Energy: 1.162839449509691

minimum gb energy = 1.1451697503888878 eV
minimum distance =  2.25942831854532 Angstroms
sigma value = 33