Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
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=2.867570169270039
cohesive_energy=4.280336240308329
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: 0.014873661396798757
Energy: 0.015425080426190866
Energy: 0.015143027508727215
Energy: 1.7261335741692938
Energy: 0.015143301254085726
Energy: 0.015425082266164151
Energy: 0.014873661396798757
Energy: 0.015425084387212198
Energy: 0.015143156775706703
Energy: 1.2695808934322041
Energy: 0.6427912826699308
Energy: 0.015257748296100916
Energy: 0.01711361262049847
Energy: 0.6387138006490897
Energy: 0.01711361262049847
Energy: 0.015255748232844181
Energy: 0.6427912826701657
Energy: 0.015256036380654082
Energy: 0.01711361262049847
Energy: 0.6387138006495595
Energy: 0.014873661396798757
Energy: 0.015425082073507727
Energy: 0.015143023124305537
Energy: 1.726133574169059
Energy: 0.015143136173164299
Energy: 0.015425081082214713
Energy: 0.014873661396563813
Energy: 0.01542508712959027
Energy: 0.015142973815799082
Energy: 1.2695808934322041
Energy: 0.6427912826699308
Energy: 0.015258058869197073
Energy: 0.01711361262026352
Energy: 0.6387138006493247
Energy: 0.01711361262026352
Energy: 0.015256387280081583
Energy: 0.6427912826699308
Energy: 0.015256665541223177
Energy: 0.01711361262026352
Energy: 0.6387138006497944
Energy: 0.014873661396798757
Energy: 0.015425083777786147
Energy: 0.015143023147956854
Energy: 1.2695808934317343
Energy: 0.015143188802253047
Energy: 0.015425079148575944
Energy: 0.014873661396798757
Energy: 0.015425084106607333
Energy: 0.015143140197542966
Energy: 1.2695808934324129
Energy: 0.6427912826699308
Energy: 0.015256365886264256
Energy: 0.01711361262049847
Energy: 0.6387138006490897
Energy: 0.017113612620733413
Energy: 0.015256080804615305
Energy: 0.6427912826699308
Energy: 0.01525605112388284
Energy: 0.01711361262026352
Energy: 0.6387138006497944
Energy: 0.014873661396798757
Energy: 0.015425086967476936
Energy: 0.015143046209061525
Energy: 1.2695808934319692
Energy: 0.015143085840524479
Energy: 0.015425079573151028
Energy: 0.014873661396563813
Energy: 0.015425084541728917
Energy: 0.015143003686185874
Energy: 1.7261335741688242

minimum gb energy = 0.014873661396563813 eV
minimum distance =  2.22170802735472 Angstroms
sigma value = 3


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

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Energy: 1.2214304307902781
Energy: 1.2709263860595774
Energy: 1.2181349643308124
Energy: 1.2709906134059132
Energy: 1.2214994463076017
Energy: 1.344422331272153
Energy: 1.2214304307897152
Energy: 1.2709263860578894
Energy: 1.2181349636681948
Energy: 1.3048534119267974
Energy: 1.214198649886003
Energy: 1.2681000445962607
Energy: 1.2689933399018436
Energy: 1.2265028173360957
Energy: 1.2074580820663596
Energy: 1.3048534119267974
Energy: 1.21419864988544
Energy: 1.2681000445951354
Energy: 1.2689933399012807
Energy: 1.2602884395053793
Energy: 1.204520238844127
Energy: 1.2166258109447323
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Energy: 1.2595627975104775
Energy: 1.1773471715050148
Energy: 1.2602884395048166
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Energy: 1.2166258109458576
Energy: 1.2028917361815923
Energy: 1.2954424449944142
Energy: 1.1983128071653568
Energy: 1.189886819627964
Energy: 1.2282497330090405
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Energy: 1.2954424449961022
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Energy: 1.189886819627401
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Energy: 1.216205296750461
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Energy: 1.2735819824264962
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Energy: 1.1891604081903275
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Energy: 1.3153514578446555
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Energy: 1.226616305384916
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Energy: 1.3018496059723261
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Energy: 1.25670689161245
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Energy: 1.322432941553851
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Energy: 1.256706891613013
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Energy: 1.290923316858453
Energy: 1.2249100652784073
Energy: 1.2681207681043392
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Energy: 1.3446500851023366
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Energy: 1.2246691788907118
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Energy: 1.2067003258431495
Energy: 1.2155495201346467
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Energy: 1.1899553235716385
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Energy: 1.215549520134084
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Energy: 1.2287426063478304
Energy: 1.2007365556832563
Energy: 1.24499061083327
Energy: 1.2226639062317282
Energy: 1.200612847604952
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Energy: 1.2007365556838188
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Energy: 1.2006128476043891
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Energy: 1.2440396776168685
Energy: 1.2477951837123098
Energy: 1.2030774791435568
Energy: 1.198487925279527
Energy: 1.2160838759714911
Energy: 1.2280526142736794
Energy: 1.2440396776185565
Energy: 1.2477951837123098
Energy: 1.2282242938048549
Energy: 1.1899161249717387
Energy: 1.1983620532269696
Energy: 1.2957107372903773
Energy: 1.244555228780144
Energy: 1.1905474519708348
Energy: 1.228224293804292
Energy: 1.1899161249717387
Energy: 1.1983620532275323
Energy: 1.2957107372903773
Energy: 1.2028917361810294
Energy: 1.216500109834836
Energy: 1.2170594625322495
Energy: 1.260301627932117
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Energy: 1.259314347974131
Energy: 1.2028917361810294
Energy: 1.2165001098353987
Energy: 1.2144460315400865
Energy: 1.2603016279304289
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Energy: 1.2680167434113578
Energy: 1.2142034146715377
Energy: 1.3047935436548168
Energy: 1.20743718064849
Energy: 1.2265040282537236
Energy: 1.2689923125917626
Energy: 1.2680167434107952
Energy: 1.2142034146721004
Energy: 1.3047935436565048
Energy: 1.2372530321187836
Energy: 1.2709906134064761
Energy: 1.221499446308164
Energy: 1.3444223312727157
Energy: 1.221430430790841
Energy: 1.2709263860573266
Energy: 1.237252954463177
Energy: 1.2709906134059132
Energy: 1.2214994463076017
Energy: 1.3444223312732786
Energy: 1.268993339902406
Energy: 1.2265028173372212
Energy: 1.2074580820680476
Energy: 1.3048534119256718
Energy: 1.214198649886003
Energy: 1.2681000445962607
Energy: 1.2689933399018436
Energy: 1.2265028173372212
Energy: 1.2074580820680476
Energy: 1.3048534119267974
Energy: 1.2028917361810294
Energy: 1.2595627975110402
Energy: 1.180995561318144
Energy: 1.260288439504254
Energy: 1.2045202388430016
Energy: 1.2166258109436068
Energy: 1.2028917361815923
Energy: 1.259562797509352
Energy: 1.1773471715044521
Energy: 1.2602884395048166
Energy: 1.2282497330090405
Energy: 1.1905518593263087
Energy: 1.2444977108715467
Energy: 1.2954424449949768
Energy: 1.1983128071670452
Energy: 1.1898868196268386
Energy: 1.2282497330090405
Energy: 1.1905518593274345
Energy: 1.2444977108704214
Energy: 1.2954424449955395

minimum gb energy = 1.1738146563598684 eV
minimum distance =  2.22487589971528 Angstroms
sigma value = 75


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

Energy: 1.4810671426472397
Energy: 1.296376464246493
Energy: 1.2920958541410847
Energy: 1.3628396065717974
Energy: 1.3009695017355538
Energy: 1.3649367775089898
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minimum gb energy = 1.2259185049318198 eV
minimum distance =  2.19735130338336 Angstroms
sigma value = 105


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

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Energy: 1.2294420994201478
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Energy: 1.2300203680010304
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Energy: 1.3443925731325141
Energy: 1.2327252531569772
Energy: 1.2453708390268166
Energy: 1.2473020289361547
Energy: 1.2300203680004107
Energy: 1.2299546790315115
Energy: 1.344392573131585
Energy: 1.2327252531566675
Energy: 1.4150759793691696
Energy: 1.2695233865779614
Energy: 1.3205178861363955
Energy: 1.2756784800702712
Energy: 1.2732042915040112
Energy: 1.2053957316456174
Energy: 1.4150759793688599
Energy: 1.2695233865779614
Energy: 1.3205178861348468
Energy: 1.2756784800696521
Energy: 1.284103906841615
Energy: 1.2678291787718465
Energy: 1.3756158690830238
Energy: 1.2613509571960633
Energy: 1.239823319280632
Energy: 1.3901460709083335
Energy: 1.2841039068419247
Energy: 1.2678291787718465
Energy: 1.3756158690820945
Energy: 1.2613509571969928
Energy: 1.2948569887087478
Energy: 1.2037902108796767
Energy: 1.3174731465968048
Energy: 1.153848254759934
Energy: 1.2831048557115263
Energy: 1.2956428727062972
Energy: 1.2948569887093673
Energy: 1.2037902108790577
Energy: 1.3174731465968048
Energy: 1.153848254760863
Energy: 1.2303309175013144
Energy: 1.2039628518962817
Energy: 1.2862020271992487
Energy: 1.2327788354658413
Energy: 1.3443361166716388
Energy: 1.1403847278045949
Energy: 1.2303309175019341
Energy: 1.2039628518972108
Energy: 1.28620202719801
Energy: 1.2327788354652218
Energy: 1.22986481376248
Energy: 1.2934625449050443
Energy: 1.21800470352636
Energy: 1.1973219748759762
Energy: 1.210021833533392
Energy: 1.2296272445514955
Energy: 1.2298648137621702
Energy: 1.2934625449059738
Energy: 1.2180047035254307
Energy: 1.197321974875357
Energy: 1.4161770475974875
Energy: 1.2829745878939802
Energy: 1.2175793967799713
Energy: 1.2808871346617647
Energy: 1.3059113298474692
Energy: 1.3744010567482132
Energy: 1.4161770475965583
Energy: 1.2829745878949095
Energy: 1.2175793967799713
Energy: 1.2808871346617647

minimum gb energy = 1.1225701327979638 eV
minimum distance =  2.23001201109456 Angstroms
sigma value = 165


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

Energy: 1.2588060550965625
Energy: 1.2797741267407388
Energy: 1.1370396046728968
Energy: 1.3425127890483735
Energy: 1.137204310386946
Energy: 1.279893320396434
Energy: 1.2588060550965625
Energy: 1.2797741267407388
Energy: 1.1370396046718332
Energy: 1.229736220030733
Energy: 1.1852676608688244
Energy: 1.1970873107943358
Energy: 1.1362427947994989
Energy: 1.2102663542755157
Energy: 1.136189834263884
Energy: 1.1611682057289032
Energy: 1.1852676608688244
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Energy: 1.1362427947994989
Energy: 1.2102663542755157
Energy: 1.1698783686579781
Energy: 1.3089679392624662
Energy: 1.2790428359577248
Energy: 1.1604750802104162
Energy: 1.161961370209182
Energy: 1.266148106747554
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Energy: 1.1604750802114798
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Energy: 1.2042110704795517
Energy: 1.201772340420242
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Energy: 1.201772340420242
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Energy: 1.170256305653145
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Energy: 1.2157716901008442
Energy: 1.1910479925119741
Energy: 1.1702563056520812
Energy: 1.1442998521476777
Energy: 1.2092846149060787
Energy: 1.1568714034474237
Energy: 1.176435963315602
Energy: 1.1845626338939481
Energy: 1.197106475427821
Energy: 1.1359127750951024
Energy: 1.4423647281306065
Energy: 1.1568714034484868
Energy: 1.1764359633145387
Energy: 1.1845626338939481
Energy: 1.1971064754288843
Energy: 1.2243656126837192
Energy: 1.1806372119302764
Energy: 1.238075658042526
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Energy: 1.1609106352982406
Energy: 1.2243656126837192
Energy: 1.1806372119302764
Energy: 1.2380756580414625
Energy: 1.2017740819816907
Energy: 1.160769502688986
Energy: 1.201815777314012
Energy: 1.2041350331090122
Energy: 1.1866657875220992
Energy: 1.136398183015315
Energy: 1.1609898191463273
Energy: 1.1607695026900497
Energy: 1.201815777315075
Energy: 1.2041350331090122
Energy: 1.1866657875231625
Energy: 1.1604638708163824
Energy: 1.2790428359577248
Energy: 1.3087920256861003
Energy: 1.169882745916733
Energy: 1.266148106747554
Energy: 1.1618668417583298
Energy: 1.1604638708163824
Energy: 1.2790428359577248
Energy: 1.3087920256861003
Energy: 1.169882745916733
Energy: 1.2102205938414576
Energy: 1.1357540361077598
Energy: 1.1971852179681353
Energy: 1.1852747676091582
Energy: 1.161159175078779
Energy: 1.1363926583765953
Energy: 1.2102205938414576
Energy: 1.1357540361066962
Energy: 1.1971852179681353
Energy: 1.1852747676091582
Energy: 1.2301564286311628
Energy: 1.1372043103858824
Energy: 1.279893320396434
Energy: 1.2588060550965625
Energy: 1.2797741267407388
Energy: 1.1370396046728968
Energy: 1.230156432541759
Energy: 1.137204310386946
Energy: 1.279893320396434
Energy: 1.2588060550965625

minimum gb energy = 1.1357540361066962 eV
minimum distance =  2.24016183458387 Angstroms
sigma value = 41


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

Energy: 1.5434659301866434
Energy: 1.171440472692361
Energy: 0.9966966811810972
Energy: 1.1187114757144947
Energy: 0.9967361854155187
Energy: 1.1714404171984074
Energy: 1.543465930187881
Energy: 1.1714404726927738
Energy: 0.996696681182335
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Energy: 1.1030401803778203
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Energy: 0.9968789008221487
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Energy: 0.9967603736208046
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Energy: 0.9967603736216298
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Energy: 0.997036762553836
Energy: 1.1450800278588702
Energy: 1.113320201419024
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Energy: 0.9970367625542486
Energy: 1.1450800278596953
Energy: 1.059390543332492
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Energy: 0.996941490513965
Energy: 1.1039975383401956
Energy: 1.0155770432205635
Energy: 1.0168309450550874
Energy: 1.0593905433316666
Energy: 1.1124306385742937
Energy: 0.996941490513965
Energy: 1.103997538339783
Energy: 1.1153606513770389
Energy: 1.1222215949040504
Energy: 1.1760764010258284
Energy: 1.0233771989649698
Energy: 1.0224397369122997
Energy: 1.1762890381464233
Energy: 1.1153606513770389
Energy: 1.1222215949028125
Energy: 1.1760764010241782
Energy: 1.0233771989657952
Energy: 1.143314720541567
Energy: 1.1028269954199537
Energy: 1.1761011216138997
Energy: 1.0145729092659754
Energy: 1.1156716025320212
Energy: 0.9969730323417091
Energy: 1.1433147205407417
Energy: 1.1028269954199537
Energy: 1.1761011216151376
Energy: 1.0145729092655627
Energy: 1.1313402057474033
Energy: 1.104197357226417
Energy: 1.170828712489382
Energy: 0.9969301914160246
Energy: 1.1438589668524906
Energy: 0.9966451293307842
Energy: 1.1313402057465778
Energy: 1.1041973572247665
Energy: 1.1708287124881442
Energy: 0.9969301914168498
Energy: 1.0160835693439203
Energy: 1.1032980337014535
Energy: 1.1430610180496006
Energy: 0.9970466724459678
Energy: 1.102106801743682
Energy: 1.0148190400099735
Energy: 1.0160835693443326
Energy: 1.1032980337014535
Energy: 1.1430610180483627
Energy: 0.9970466724463805
Energy: 1.1760425185212329
Energy: 1.122155584075305
Energy: 1.1221520085498882
Energy: 1.1760425185204075
Energy: 1.0229392671058248
Energy: 1.022943509472147
Energy: 1.1760425185208205
Energy: 1.1221555840761304
Energy: 1.122152008549063
Energy: 1.1760425185208205
Energy: 0.997045071405258
Energy: 1.1431620631964072
Energy: 1.1033296310858667
Energy: 1.0160713478383885
Energy: 1.0147455452503915
Energy: 1.1020632530418333
Energy: 0.997045071405258
Energy: 1.1431620631959947
Energy: 1.1033296310862795
Energy: 1.0160713478383885
Energy: 0.9968772248985226
Energy: 1.1708246017536335
Energy: 1.1041772620856447
Energy: 1.1318933214684466
Energy: 0.9964953609055208
Energy: 1.1440184439378231
Energy: 0.9968772248981099
Energy: 1.1708246017528083
Energy: 1.104177262085232
Energy: 1.1318933214684466
Energy: 1.0146126054972018
Energy: 1.1761011216151376
Energy: 1.1028404713543847
Energy: 1.143248054299617
Energy: 0.996843960503688
Energy: 1.115667225492278
Energy: 1.0146126054980271
Energy: 1.1761011216147252
Energy: 1.10284047135521
Energy: 1.143248054298379
Energy: 1.023127651863148
Energy: 1.1760764010245908
Energy: 1.1222094523597586
Energy: 1.1154358315255481
Energy: 1.176289038145598
Energy: 1.0224654076990691
Energy: 1.023127651863148
Energy: 1.1760764010241782
Energy: 1.1222094523597586
Energy: 1.1154358315255481
Energy: 1.1039781059082918
Energy: 0.996812471678883
Energy: 1.1123234186062319
Energy: 1.0593432511778778
Energy: 1.0168252269340077
Energy: 1.0152563492145337
Energy: 1.1039781059070541
Energy: 0.9968124716792954
Energy: 1.1123234186062319
Energy: 1.0593432511787029
Energy: 1.1450325055473376
Energy: 0.9971330919827818
Energy: 1.1711601797086
Energy: 1.1062390609580102
Energy: 1.1306202082977217
Energy: 1.1133048460932131
Energy: 1.1450325055465125
Energy: 0.9971330919831943
Energy: 1.1711601797081876
Energy: 1.1062390609580102
Energy: 1.112641754291857
Energy: 1.0146171161363697
Energy: 1.1759893913089556
Energy: 1.102482378072847
Energy: 1.143296188601456
Energy: 1.0223198794576247
Energy: 1.1126417542926823
Energy: 1.0146171161363697
Energy: 1.1759893913089556
Energy: 1.102482378072847

minimum gb energy = 0.9962767442581607 eV
minimum distance =  2.29957471390323 Angstroms
sigma value = 185


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

Energy: 1.3085713135145929
Energy: 1.0678368650167878
Energy: 1.404720972739596
Energy: 1.4809808700166782
Energy: 1.4044753570099742
Energy: 1.0866752314788308
Energy: 1.3085713135121442
Energy: 1.0678368650167878
Energy: 1.4047209727381265
Energy: 1.4309441227986075
Energy: 1.060472896981764
Energy: 1.1205317042692708
Energy: 1.053976343697284
Energy: 1.0676487532056789
Energy: 1.0670301643801297
Energy: 1.179152675313933
Energy: 1.0604728969807844
Energy: 1.1205317042697605
Energy: 1.053976343697284
Energy: 1.0676487532056789
Energy: 1.0675018462085972
Energy: 1.0670648485666105
Energy: 1.4540705810067682
Energy: 1.1019590700013915
Energy: 1.067247162237905
Energy: 1.0885128091781004
Energy: 1.0675018462081074
Energy: 1.0670648485671004
Energy: 1.4540705810067682
Energy: 1.1019590700053097
Energy: 1.4063423722992365
Energy: 1.0670750287958994
Energy: 1.0676682656862388
Energy: 1.0557624978916216
Energy: 1.0602185363455225
Energy: 1.0312577785146038
Energy: 1.4063423723007058
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Energy: 1.0676682656852592
Energy: 1.0557624978930908
Energy: 1.0532947028740887
Energy: 1.054047710697526
Energy: 1.0688513751508493
Energy: 1.0739674114636977
Energy: 1.4276264916725485
Energy: 1.0313957451088474
Energy: 1.0532947028745785
Energy: 1.0540477106985053
Energy: 1.0688513751498698
Energy: 1.0739674114632078
Energy: 1.0821769194590043
Energy: 1.4044873117612422
Energy: 1.2071490183846438
Energy: 1.0680126303133277
Energy: 1.1003752235798312
Energy: 1.105187216269687
Energy: 1.0751110248673448
Energy: 1.4044873117602625
Energy: 1.2071490183851339
Energy: 1.0680126303133277
Energy: 1.067968782982693
Energy: 1.1039424893010399
Energy: 1.4039823854418259
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Energy: 1.1058242028754153
Energy: 1.0873334253147435
Energy: 1.067968782982203
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Energy: 1.4039823854418259
Energy: 1.1061819747755868
Energy: 1.0318557620709488
Energy: 1.0680038104371516
Energy: 1.0539811505674022
Energy: 1.0574579420690107
Energy: 1.0313797781637055
Energy: 1.4192805786618754
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Energy: 1.0680038104371516
Energy: 1.0539811505683818
Energy: 1.0574579420690107
Energy: 1.0557918966683826
Energy: 1.0675823247426424
Energy: 1.0671101870719566
Energy: 1.3081657875162571
Energy: 1.0311348827339366
Energy: 1.054188000121118
Energy: 1.055791896667893
Energy: 1.0675823247441119
Energy: 1.067110187070487
Energy: 1.308165788377419
Energy: 1.1381140074610814
Energy: 1.4360557126048514
Energy: 1.0670673769169794
Energy: 1.1315189276111743
Energy: 1.0674936773664392
Energy: 1.0672623578148046
Energy: 1.1381140074610814
Energy: 1.4360557126043616
Energy: 1.0670673769174692
Energy: 1.1315189276111743
Energy: 1.0675179850783214
Energy: 1.0539947062095945
Energy: 1.0939993967295423
Energy: 1.0315609463035962
Energy: 1.171450502456264
Energy: 1.0670240729006144
Energy: 1.067517985079301
Energy: 1.0539947062095945
Energy: 1.0939993967295423
Energy: 1.031560946301637
Energy: 1.4568945124840489
Energy: 1.4045992023850717
Energy: 1.0679535709164234
Energy: 1.237606719948083
Energy: 1.0678368650177674
Energy: 1.4047209727386163
Energy: 1.4568945124742534
Energy: 1.404599202384092
Energy: 1.0486854495898588
Energy: 1.237606719950042
Energy: 1.0676487532056789
Energy: 1.0670301643806195
Energy: 1.1714505024552844
Energy: 1.0318185368515882
Energy: 1.120531704268781
Energy: 1.0539763436977738
Energy: 1.067648753205189
Energy: 1.0670301643806195
Energy: 1.171450502456264
Energy: 1.0318185368506085
Energy: 1.1015317749023281
Energy: 1.0672471622383946
Energy: 1.1451711312101087
Energy: 1.0675018462090868
Energy: 1.067050435335906
Energy: 1.4360557126043616
Energy: 1.1015317749023281
Energy: 1.067247162237415
Energy: 1.1451711312105985
Energy: 1.0675018462090868
Energy: 1.055762122432688
Energy: 1.060218536344543
Energy: 1.0312577785141142
Energy: 1.4063423722997264
Energy: 1.067078015364306
Energy: 1.0694674861417726
Energy: 1.0557621224317086
Energy: 1.0602185363465022
Energy: 1.0312577785141142
Energy: 1.4063423722997264
Energy: 1.0739674114646771
Energy: 1.4276264916730383
Energy: 1.031395745107868
Energy: 1.0532947028740887
Energy: 1.0540477106989952
Energy: 1.06885137514938
Energy: 1.0739674114641875
Energy: 1.4276264916730383
Energy: 1.0313957451083575
Energy: 1.0532947028765374
Energy: 1.0680126303133277
Energy: 1.1127839736599003
Energy: 1.1051872162691974
Energy: 1.0821769194585145
Energy: 1.4044873117622216
Energy: 1.21680077136674
Energy: 1.0680126303118584
Energy: 1.1127839736603902
Energy: 1.105187216269687
Energy: 1.0884769643941827
Energy: 1.2483178831575548
Energy: 1.1058242028744358
Energy: 1.087333425313764
Energy: 1.0679676850722268
Energy: 1.1036982864459557
Energy: 1.40413369417245
Energy: 1.2483178831580446
Energy: 1.1058242028734562
Energy: 1.087333425313764
Energy: 1.0679676850756554
Energy: 1.0574579420695005
Energy: 1.0313797781637055
Energy: 1.4192805786628548
Energy: 1.0318557620714386
Energy: 1.067995901453265
Energy: 1.0540276305740877
Energy: 1.0574579420695005
Energy: 1.0313797781641953
Energy: 1.4192805786628548
Energy: 1.0318557620719282
Energy: 1.3081657882873
Energy: 1.0311348827334468
Energy: 1.0541880001216077
Energy: 1.055791896667893
Energy: 1.0675823247426424
Energy: 1.067110187070487
Energy: 1.3081657900027222
Energy: 1.0311348827344264
Energy: 1.0541880001235668
Energy: 1.055791896667893
Energy: 1.0872078874154352
Energy: 1.0674936773659491
Energy: 1.067246252786896
Energy: 1.1381140074610814
Energy: 1.4540705810067682
Energy: 1.0670673769169794
Energy: 1.087207887413966
Energy: 1.0674936773669288
Energy: 1.0672462527854267
Energy: 1.1381140074615712
Energy: 1.0848376008080318
Energy: 1.1791526753144226
Energy: 1.067141058387277
Energy: 1.0676481604322043
Energy: 1.0540041744556234
Energy: 1.094505185513558
Energy: 1.084837600807542
Energy: 1.1791526753154022
Energy: 1.067141058386787
Energy: 1.0676481604322043
Energy: 1.3085713135145929
Energy: 1.0678368650177674
Energy: 1.4047209727391061
Energy: 1.340935129892568
Energy: 1.4044753570094843
Energy: 1.0682322002151985
Energy: 1.308571313512634
Energy: 1.0678368650172776
Energy: 1.4047209727386163
Energy: 1.3409351298367336
Energy: 1.0604728969827435
Energy: 1.1205317042702503
Energy: 1.053976343697284
Energy: 1.067648753205189
Energy: 1.06703016437964
Energy: 1.179152675313933
Energy: 1.0604728969812742
Energy: 1.120531704268781
Energy: 1.053976343697284
Energy: 1.0676487532061687
Energy: 1.0675018462090868
Energy: 1.0670648485671004
Energy: 1.454070581007258
Energy: 1.1019590700033506
Energy: 1.067247162237905
Energy: 1.0885128091781004
Energy: 1.0675018462081074
Energy: 1.0670648485671004
Energy: 1.4540705810062786
Energy: 1.1019590700057995
Energy: 1.4063423722997264
Energy: 1.0670750287968789
Energy: 1.067668265685749
Energy: 1.0557624978921114
Energy: 1.0602185363450327
Energy: 1.0312577785146038
Energy: 1.4063423723007058
Energy: 1.0670750287973687
Energy: 1.067668265685749
Energy: 1.0557624978930908
Energy: 1.0532947028740887
Energy: 1.0540477106980157
Energy: 1.068851375151339
Energy: 1.073967411465167
Energy: 1.4276264916720587
Energy: 1.0313957451083575
Energy: 1.053294702875558
Energy: 1.0540477106985053
Energy: 1.0688513751503594
Energy: 1.0739674114656568
Energy: 1.0683440960346724
Energy: 1.4044873117617318
Energy: 1.207149018384154
Energy: 1.0680126303138175
Energy: 1.100375223580321
Energy: 1.1051872162687073
Energy: 1.0683440960327133
Energy: 1.4044873117612422
Energy: 1.2071490183846438
Energy: 1.0680126303138175
Energy: 1.0679687829817133
Energy: 1.1039424893015297
Energy: 1.4039823854408464
Energy: 1.2367117061737578
Energy: 1.1058242028754153
Energy: 1.087333425314254
Energy: 1.067968782982203
Energy: 1.1039424893010399
Energy: 1.4039823854413362
Energy: 1.2367117061722885
Energy: 1.0318557620709488
Energy: 1.0680038104376415
Energy: 1.0539811505683818
Energy: 1.0574579420685208
Energy: 1.031379778163216
Energy: 1.4192805786618754
Energy: 1.0318557620719282
Energy: 1.0680038104371516
Energy: 1.053981150567892
Energy: 1.05745794206999
Energy: 1.055791896667893
Energy: 1.0675823247426424
Energy: 1.0671101870719566
Energy: 1.30816579778479
Energy: 1.0311348827334468
Energy: 1.0541880001225872
Energy: 1.0557918966683826
Energy: 1.0675823247446015
Energy: 1.067110187070977
Energy: 1.308165798948946
Energy: 1.1381140074601017
Energy: 1.436055712605341
Energy: 1.0670673769164896
Energy: 1.1315189276126438
Energy: 1.0674936773664392
Energy: 1.067262357813825
Energy: 1.1381140074615712
Energy: 1.4360557126048514
Energy: 1.0670673769184487
Energy: 1.1315189276087254
Energy: 1.0675179850778316
Energy: 1.0539947062091046
Energy: 1.0939993967295423
Energy: 1.031560946301637
Energy: 1.1714505024557742
Energy: 1.0670240729001248
Energy: 1.067517985079301
Energy: 1.0539947062100843
Energy: 1.0939993967310115
Energy: 1.031560946301637

minimum gb energy = 1.0311348827334468 eV
minimum distance =  2.26560180863906 Angstroms
sigma value = 33


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

Energy: 1.2571772490449686
Energy: 1.2957458128317638
Energy: 1.1716141279197192
Energy: 1.4414510328326204
Energy: 1.1713535233514427
Energy: 1.2957906594820108
Energy: 1.2571772490452378
Energy: 1.295745812833377
Energy: 1.1716141279192058
Energy: 1.372349851470353
Energy: 1.4611993406777952
Energy: 1.2379760872096768
Energy: 1.1300435739272408
Energy: 1.1951879674034147
Energy: 1.1533479773695225
Energy: 1.1910327255480222
Energy: 1.4611993406767196
Energy: 1.2379760872096768
Energy: 1.1300435739277788
Energy: 1.1951879674050037
Energy: 1.2482234389459166
Energy: 1.1289545059910373
Energy: 1.2109662171529025
Energy: 1.4537705728431294
Energy: 1.1513684747904072
Energy: 1.1821500887014804
Energy: 1.2482234389437656
Energy: 1.1289545059910373
Energy: 1.21096621715344
Energy: 1.4537705728452806
Energy: 1.2069341746983704
Energy: 1.1287039412417872
Energy: 1.2029153666195538
Energy: 1.1333517530238677
Energy: 1.203910244842947
Energy: 1.4534504578010414
Energy: 1.2069341746970261
Energy: 1.128703941242056
Energy: 1.2029153666192853
Energy: 1.1333517530238677
Energy: 1.1961877373788898
Energy: 1.1290398833983275
Energy: 1.215760550210478
Energy: 1.4537306037413185
Energy: 1.195838270759007
Energy: 1.1384450025758421
Energy: 1.1961877373780834
Energy: 1.1290398833964452
Energy: 1.2157605502088649
Energy: 1.4537306037410493
Energy: 1.4633241103829475
Energy: 1.1285385518140112
Energy: 1.2066317754171814
Energy: 1.1816435901151783
Energy: 1.151622077836196
Energy: 1.4429710263442228
Energy: 1.4633241103818722
Energy: 1.12853855181186
Energy: 1.2066317754196012
Energy: 1.181643590115985
Energy: 1.1302200931253672
Energy: 1.2213442402361019
Energy: 1.4805165231608697
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Energy: 1.152968808609723
Energy: 1.208681965212822
Energy: 1.1302200931269806
Energy: 1.2213442398834864
Energy: 1.4805165231597943
Energy: 1.1928991629906245
Energy: 1.171874465958669
Energy: 1.3164675223057918
Energy: 1.157192373184024
Energy: 1.2405817597292088
Energy: 1.171659401271018
Energy: 1.201449306281881
Energy: 1.1718744659592069
Energy: 1.3164675223063296
Energy: 1.1571923731864195
Energy: 1.24058175972894
Energy: 1.153820856380599
Energy: 1.1651114323327045
Energy: 1.4831097964136475
Energy: 1.221012648384913
Energy: 1.129749402200233
Energy: 1.1946015319510883
Energy: 1.1538208563795234
Energy: 1.1651114323324359
Energy: 1.4831097964117654
Energy: 1.2210126484131205
Energy: 1.151337382693521
Energy: 1.1790907237602157
Energy: 1.2488615459464285
Energy: 1.129257971036109
Energy: 1.2246847458789392
Energy: 1.4536981640125142
Energy: 1.1513373826943274
Energy: 1.1790907237591404
Energy: 1.2488615459469663
Energy: 1.1292579710355715
Energy: 1.2535155824484043
Energy: 1.1738122651270102
Energy: 1.347005995115657
Energy: 1.128425387548543
Energy: 1.2027801864222525
Energy: 1.1356823787414518
Energy: 1.2535155824484043
Energy: 1.1738122651288923
Energy: 1.347005995117539
Energy: 1.1284253875504253
Energy: 1.1701138999951706
Energy: 1.138446791659127
Energy: 1.1975528331352476
Energy: 1.129279490158016
Energy: 1.2225545758656131
Energy: 1.4539583482573015
Energy: 1.1701138999951706
Energy: 1.138446791659127
Energy: 1.1975528331357854
Energy: 1.129279490157478
Energy: 1.1517379157388608
Energy: 1.1526964998449243
Energy: 1.4633960327490663
Energy: 1.128286342275181
Energy: 1.1855125815067105
Energy: 1.1847622152949209
Energy: 1.1517379157399361
Energy: 1.1526964998449243
Energy: 1.4633960327485287
Energy: 1.1282863422759875
Energy: 1.1526965098235127
Energy: 1.2146671463910168
Energy: 1.1273724498596345
Energy: 1.2398635121267294
Energy: 1.4847049833364265
Energy: 1.197588060838582
Energy: 1.1526965098227062
Energy: 1.2146671463920922
Energy: 1.1273724498599034
Energy: 1.2398635120055161
Energy: 1.1717460729157154
Energy: 1.2100661604649436
Energy: 1.1707371061853424
Energy: 1.3109396016323767
Energy: 1.1437658665443058
Energy: 1.2409769782057118
Energy: 1.1717460729181353
Energy: 1.2100661604665568
Energy: 1.1707371061853424
Energy: 1.3109396016326453
Energy: 1.1298496116731804
Energy: 1.1941175441080325
Energy: 1.1543860993354575
Energy: 1.1648796520950813
Energy: 1.1657159435437099
Energy: 1.1955958627661596
Energy: 1.129849611671836
Energy: 1.1941175441099148
Energy: 1.1543860993351884
Energy: 1.164879652094006
Energy: 1.1746696896135136
Energy: 1.4538999211446944
Energy: 1.1512339767647803
Energy: 1.1796091157280997
Energy: 1.180483032429301
Energy: 1.1297735162664235
Energy: 1.1746696896129758
Energy: 1.4538999211446944
Energy: 1.151233976765049
Energy: 1.1796091157278306
Energy: 1.2026790818180229
Energy: 1.3056536143145783
Energy: 1.2534606316452235
Energy: 1.173518480365696
Energy: 1.3470620305423553
Energy: 1.1281334843394666
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Energy: 1.1999552819244668
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Energy: 1.4847534038859485
Energy: 1.327599289744212
Energy: 1.1745636548731049
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Energy: 1.170800330152636
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Energy: 1.1458051777339864
Energy: 1.1482619915238976
Energy: 1.174563654871223
Energy: 1.1948393378733344
Energy: 1.1708003301523673
Energy: 1.1644536437042623
Energy: 1.233907618407375
Energy: 1.1738735220741703
Energy: 1.1466340805620259
Energy: 1.1648558286138857
Energy: 1.1548946881230455
Energy: 1.1277093486215255
Energy: 1.233907618407375
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Energy: 1.1466340805628326
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Energy: 1.3602207062470184
Energy: 1.4715037040478596
Energy: 1.2028438377751014
Energy: 1.1384105574264556
Energy: 1.2549673900553957
Energy: 1.1354070231302227

minimum gb energy = 1.1273724498596345 eV
minimum distance =  2.24668774801585 Angstroms
sigma value = 219


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

Energy: 1.159582255049684
Energy: 1.1207951736804542
Energy: 1.1380637954241575
Energy: 1.2235170264129476
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Energy: 1.105405777066436
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Energy: 1.106744992183315
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Energy: 1.1067703379195029
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Energy: 1.13820950376989
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Energy: 1.1209189388637244
Energy: 1.13820950376989
Energy: 1.1952729356003182
Energy: 1.138089357310041
Energy: 1.3003781413265751

minimum gb energy = 1.105405777066436 eV
minimum distance =  2.35378686630246 Angstroms
sigma value = 15


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

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Energy: 1.2855425514277015
Energy: 1.2807170139669968
Energy: 1.4979699905022976
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Energy: 1.3212186294953934
Energy: 1.3568544102646074
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minimum gb energy = 1.2784366053080194 eV
minimum distance =  2.2370876869889 Angstroms
sigma value = 293


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

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Energy: 1.2668180846910682
Energy: 1.3741743342877804
Energy: 1.3584156263560418
Energy: 1.3315994430233546
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Energy: 1.3945938937159201
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Energy: 1.3741743342885842
Energy: 1.3584156263556402
Energy: 1.331599443022551
Energy: 1.4222361990308419
Energy: 1.3857291731350956
Energy: 1.3159021030683002
Energy: 1.4367164707694053
Energy: 1.3162028138084239
Energy: 1.3857524451728858
Energy: 1.4222361990308419
Energy: 1.3857291731350956
Energy: 1.3159021030691043
Energy: 1.3513642406178397
Energy: 1.26677349603638
Energy: 1.391444413780888
Energy: 1.3132676940868004
Energy: 1.3316031623736235
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Energy: 1.3741628318411572
Energy: 1.266773496036782
Energy: 1.3914444137796824
Energy: 1.3132676940859966
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Energy: 1.369584780016399
Energy: 1.3436527793324398
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Energy: 1.3124357885863178
Energy: 1.4733423807358803
Energy: 1.370023442819893
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Energy: 1.415562993086512
Energy: 1.2899891356766766
Energy: 1.312435788585514
Energy: 1.4733423807350763
Energy: 1.3700234428194908
Energy: 1.2671709677625211
Energy: 1.3124670894143522
Energy: 1.3169783446919239
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Energy: 1.2838548668472827
Energy: 1.3382251398211529
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Energy: 1.312467089414754
Energy: 1.3169783446915215
Energy: 1.3160107998344437
Energy: 1.2838548668472827
Energy: 1.3269181078355547
Energy: 1.313717475493376
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Energy: 1.3628404008310355
Energy: 1.4095262998093836
Energy: 1.3824208334340868
Energy: 1.3269181078355547
Energy: 1.313717475493778
Energy: 1.274988631331272
Energy: 1.3628404008310355
Energy: 1.3258645596626324
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Energy: 1.3781329284631112
Energy: 1.3258647721942065
Energy: 1.2990865862533407
Energy: 1.2989916269267299
Energy: 1.3258645596622307
Energy: 1.378130743379236
Energy: 1.3781329284627095
Energy: 1.3258647721934027
Energy: 1.3626434248938897
Energy: 1.2749027522867984
Energy: 1.3138641494387238
Energy: 1.3269300657094332
Energy: 1.3823314092428065
Energy: 1.409505197095686
Energy: 1.3626434248946935
Energy: 1.2749027522867984
Energy: 1.3138641494383216
Energy: 1.3269300657090313
Energy: 1.283882209664718
Energy: 1.315880816535725
Energy: 1.3168869136796422
Energy: 1.3124657827587272
Energy: 1.3168260448854177
Energy: 1.3382346817300863
Energy: 1.2838822097028655
Energy: 1.315880816535725
Energy: 1.3168869136792403
Energy: 1.3124657827587272
Energy: 1.267197972987133
Energy: 1.3700009834585911
Energy: 1.473342380735478
Energy: 1.312418387683369
Energy: 1.289916622837014
Energy: 1.4155629930861098
Energy: 1.2671979729859273
Energy: 1.3700009834585911
Energy: 1.473342380735478
Energy: 1.312418387683771
Energy: 1.3639324285727823
Energy: 1.3252783689222538
Energy: 1.265950841378966
Energy: 1.3756737438818045
Energy: 1.349562928091312
Energy: 1.3445009353595345
Energy: 1.363932428573586
Energy: 1.3252783689222538
Energy: 1.265950841378966
Energy: 1.3756737438810005

minimum gb energy = 1.265950841378966 eV
minimum distance =  2.2128193657034 Angstroms
sigma value = 293


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

Energy: 1.1106131336512348
Energy: 1.1361784241910864
Energy: 1.1354510931924173
Energy: 1.458600276500244
Energy: 1.1354547138998958
Energy: 1.2094075822742405
Energy: 1.1106131336505083
Energy: 1.136178424191813
Energy: 1.1354510931924173
Energy: 1.4170246368130728
Energy: 1.1359537835038533
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Energy: 1.388354963973755
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Energy: 1.348574487117959
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Energy: 1.3876164244140419
Energy: 1.1819906806311329
Energy: 1.1101778787312815
Energy: 1.343361905902353
Energy: 1.1104361293635212
Energy: 1.1722367580660271
Energy: 1.1354063712912226
Energy: 1.1819906806318592
Energy: 1.1101778787312815
Energy: 1.343361905902353
Energy: 1.1104361293635212
Energy: 1.3441120698483513
Energy: 1.1103541850645045
Energy: 1.1820258097195722
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Energy: 1.388354963973755
Energy: 1.1353080510909592
Energy: 1.1359537835038533
Energy: 1.348574487117959
Energy: 1.135451033099017
Energy: 1.3195785298916825
Energy: 1.388354963973755
Energy: 1.1353080510909592
Energy: 1.1359537835038533
Energy: 1.348574487117959
Energy: 1.1722367580660271
Energy: 1.1354063712912226
Energy: 1.1819906806311329
Energy: 1.110177878732008
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Energy: 1.1103541850645045
Energy: 1.1820258097188454
Energy: 1.1354013484677843
Energy: 1.1722351013942458
Energy: 1.1104368735720132
Energy: 1.3441120698476248
Energy: 1.1103541850645045
Energy: 1.3884306126956867
Energy: 1.387708974023562
Energy: 1.1354593152894834
Energy: 1.6064692793033453
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Energy: 1.1354510931924173
Energy: 1.417024636812346
Energy: 1.1354547138998958
Energy: 1.2512646783015642
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Energy: 1.1353080510909592
Energy: 1.1359537835031266
Energy: 1.348574487117959
Energy: 1.135451033099017
Energy: 1.3195785298916825
Energy: 1.388354963973755
Energy: 1.1353080510909592
Energy: 1.343361905902353
Energy: 1.1104361293635212
Energy: 1.1722367580660271
Energy: 1.1354063712912226
Energy: 1.1819906806311329
Energy: 1.110177878732008
Energy: 1.343361905902353
Energy: 1.1104361293635212
Energy: 1.1722367580667536
Energy: 1.1354063712912226
Energy: 1.1820258097188454
Energy: 1.1354013484685106
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Energy: 1.1104368735720132
Energy: 1.3441120698476248
Energy: 1.1103541850637781
Energy: 1.1820258097181193
Energy: 1.1354013484677843
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Energy: 1.1104368735727397
Energy: 1.135955966767479
Energy: 1.1353551035136633
Energy: 1.3884306126956867
Energy: 1.387708974023562
Energy: 1.13545931529021
Energy: 1.6064692793040714
Energy: 1.1359559667667527
Energy: 1.1353551035136633
Energy: 1.3884306126949602
Energy: 1.3116690657054804
Energy: 1.1106131336505083
Energy: 1.1361784241925394
Energy: 1.1354510931924173
Energy: 1.4170246368130728
Energy: 1.1354547138998958
Energy: 1.1820660023079799
Energy: 1.1106131336512348
Energy: 1.1361784241925394
Energy: 1.1354510931924173
Energy: 1.417024636812346
Energy: 1.1359537835038533
Energy: 1.348574487117959
Energy: 1.1354510330975645
Energy: 1.2062720391229993
Energy: 1.3883549639730286
Energy: 1.1353080510909592
Energy: 1.1359537835038533
Energy: 1.348574487117959
Energy: 1.135451033099017
Energy: 1.319578529890956
Energy: 1.1819906806311329
Energy: 1.110177878732008
Energy: 1.3433619059016264
Energy: 1.1104361293635212
Energy: 1.1722367580660271
Energy: 1.1354063712912226
Energy: 1.1819906806304064
Energy: 1.1101778787312815
Energy: 1.3433619059016264
Energy: 1.1104361293635212
Energy: 1.3441120698476248
Energy: 1.1103541850645045
Energy: 1.1820258097188454
Energy: 1.1354013484685106
Energy: 1.1722351013942458
Energy: 1.1104368735720132
Energy: 1.3441120698483513
Energy: 1.1103541850645045
Energy: 1.1820258097188454
Energy: 1.1354013484677843
Energy: 1.1354593152909362
Energy: 1.6064692793033453
Energy: 1.135955966767479
Energy: 1.135355103512937
Energy: 1.3884306126949602
Energy: 1.387708974023562
Energy: 1.13545931529021
Energy: 1.6064692793033453
Energy: 1.1359559667667527
Energy: 1.1353551035136633
Energy: 1.1354547138991693
Energy: 1.1820660023079799
Energy: 1.1106131336505083
Energy: 1.136178424191813
Energy: 1.1354510931924173
Energy: 1.417024636812346
Energy: 1.1354547138998958
Energy: 1.1820660023072536
Energy: 1.1106131336512348
Energy: 1.1361784241910864
Energy: 1.388354963973755
Energy: 1.1353080510909592
Energy: 1.1359537835038533
Energy: 1.348574487117959
Energy: 1.1354510330982908
Energy: 1.2062720391229993
Energy: 1.388354963973755
Energy: 1.1353080510909592
Energy: 1.1359537835038533
Energy: 1.348574487117959

minimum gb energy = 1.1101778787312815 eV
minimum distance =  2.21755063728347 Angstroms
sigma value = 15


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

Energy: 1.459543038572885
Energy: 1.320837390446636
Energy: 1.309467743548566
Energy: 1.310309587948877
Energy: 1.3094773904525359
Energy: 1.3210865227822999
Energy: 1.459543038572885
Energy: 1.3208373904476238
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Energy: 1.3079230746353325
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Energy: 1.4040490556545147
Energy: 1.306324659953974
Energy: 1.3144195567590236
Energy: 1.432692340909398
Energy: 1.3017279855214614
Energy: 1.3746602959363212
Energy: 1.4040490556551732
Energy: 1.306324659952986
Energy: 1.3144195567586943
Energy: 1.432692340909398
Energy: 1.2358756530976014
Energy: 1.3864841536040622
Energy: 1.3314136263532066
Energy: 1.3202410527926975
Energy: 1.3932560318516813
Energy: 1.2848333604928943
Energy: 1.23587565309826
Energy: 1.3864841536034036
Energy: 1.3314136263532066
Energy: 1.3202410527926975
Energy: 1.2353132124428137
Energy: 1.3072276962568663
Energy: 1.4446065616325174
Energy: 1.3139954495049957
Energy: 1.3874478940103074
Energy: 1.4093898686135853
Energy: 1.2353132124447896
Energy: 1.3072276962558784
Energy: 1.444606561634823
Energy: 1.3139954495046666
Energy: 1.356049636232544
Energy: 1.3075536763638367
Energy: 1.298943348005007
Energy: 1.2513757419162563
Energy: 1.385517913391591
Energy: 1.2845866096731573
Energy: 1.3560496362315562
Energy: 1.3075536763641658
Energy: 1.2989433480046777
Energy: 1.25137574191461
Energy: 1.2444470108887182
Energy: 1.3669944878037117
Energy: 1.314093780850587
Energy: 1.334399571807337
Energy: 1.3457579565155455
Energy: 1.3309839517486657
Energy: 1.244447010888389
Energy: 1.3669944878033824
Energy: 1.3140937808499285
Energy: 1.3343995718070076
Energy: 1.2447018952678703
Energy: 1.3946965832668825
Energy: 1.323964910438596
Energy: 1.342819552305422
Energy: 1.2750392404268356
Energy: 1.3403711623896981
Energy: 1.2447018952678703
Energy: 1.3946965832662237
Energy: 1.3239649104392546
Energy: 1.3428195523047632
Energy: 1.3572717425908951
Energy: 1.2343839211130292
Energy: 1.3197112103854796
Energy: 1.2497360623959193
Energy: 1.3058007063556882
Energy: 1.3071026826203913
Energy: 1.3572717425908951
Energy: 1.2343839211130292
Energy: 1.3197112103854796
Energy: 1.2497360623962486
Energy: 1.3648971419151121
Energy: 1.3910937903522476
Energy: 1.3005622497690765
Energy: 1.3079415991733325
Energy: 1.350046881399731
Energy: 1.3073843859466026
Energy: 1.3648971419151121
Energy: 1.3910937903515888
Energy: 1.3005622497690765
Energy: 1.3079415991743204
Energy: 1.2670950688310891
Energy: 1.2849697609352966
Energy: 1.3936422970755211
Energy: 1.3229343707427523
Energy: 1.328946376382036
Energy: 1.3842737472138633
Energy: 1.2670950688310891
Energy: 1.284969760934638
Energy: 1.393642297074204
Energy: 1.3229343707434107
Energy: 1.385480475889146
Energy: 1.3340377698587977
Energy: 1.3578804259212887
Energy: 1.46756785009145
Energy: 1.3138533472844398
Energy: 1.3926976822456747
Energy: 1.3854804758901338
Energy: 1.3340377698587977
Energy: 1.3578804259206303
Energy: 1.4675678500907912
Energy: 1.2892050066391598
Energy: 1.3388455223596978
Energy: 1.301389668543295
Energy: 1.2641187814655421
Energy: 1.2806584949367508
Energy: 1.3234053909502446
Energy: 1.2892050066391598
Energy: 1.3388455223596978
Energy: 1.3013896685429656
Energy: 1.2641187814652128
Energy: 1.3316213693547394
Energy: 1.2768301773280344
Energy: 1.3409260017941271
Energy: 1.3077769698055723
Energy: 1.3446582996643088
Energy: 1.3105933270582695
Energy: 1.3316213693547394
Energy: 1.2768301773277053
Energy: 1.3409260017934688
Energy: 1.307776969806231
Energy: 1.359331062274054
Energy: 1.237704313526319
Energy: 1.4035075958158632
Energy: 1.3218738100176952
Energy: 1.3284971040028069
Energy: 1.287540410014072
Energy: 1.359331062274054
Energy: 1.237704313526319
Energy: 1.4035075958158632
Energy: 1.3218738100176952
Energy: 1.3212506226275849
Energy: 1.2910816409808843
Energy: 1.2368992198298563
Energy: 1.2664797507419547
Energy: 1.2650666670335398
Energy: 1.3280705377339361
Energy: 1.3212506226275849
Energy: 1.291081640979567
Energy: 1.2368992198298563
Energy: 1.2664797507412962
Energy: 1.307704104755232
Energy: 1.405805864755328
Energy: 1.4283476713693208
Energy: 1.3331532396083734
Energy: 1.3013008590009354
Energy: 1.359076018497149
Energy: 1.3077041047558906
Energy: 1.4058058647556575
Energy: 1.4283476713686623
Energy: 1.333153239607715
Energy: 1.3269603856956844
Energy: 1.3076267191795714
Energy: 1.3629647580137445
Energy: 1.3636786178149751
Energy: 1.3145362607596176
Energy: 1.2815107840044315
Energy: 1.3269603856946965
Energy: 1.3076267191792421
Energy: 1.3629647580147324
Energy: 1.3636786178149751
Energy: 1.488668058612875
Energy: 1.3557181512641643
Energy: 1.337689676998207
Energy: 1.3848606204251896
Energy: 1.4237031670864817
Energy: 1.3136191821304186
Energy: 1.4886680586122165
Energy: 1.3557181512641643
Energy: 1.3376896769985362
Energy: 1.3848606204258482
Energy: 1.3250801459870878
Energy: 1.3001299333402936
Energy: 1.326336919557889
Energy: 1.267116638880816
Energy: 1.383902217260207
Energy: 1.2710493835021797
Energy: 1.3250801459880757
Energy: 1.30012993334194
Energy: 1.3263369195585473
Energy: 1.267116638880816
Energy: 1.307357533715581
Energy: 1.3007576405882002
Energy: 1.390640028432535
Energy: 1.3869913935548066
Energy: 1.3023294576889395
Energy: 1.3695799557248083
Energy: 1.307357533715581
Energy: 1.300757640586883
Energy: 1.3906400284338525
Energy: 1.3869913935528309
Energy: 1.2513795820213747
Energy: 1.2844216109332183
Energy: 1.2695200909875881
Energy: 1.4836992578867843
Energy: 1.3574738846559822
Energy: 1.3148982732346726
Energy: 1.2513795820213747
Energy: 1.284421610931572
Energy: 1.269520090988576
Energy: 1.4836992578857964
Energy: 1.3418443881283226
Energy: 1.3232800420541064
Energy: 1.3772538214265677
Energy: 1.244266218144805
Energy: 1.3325552754495924
Energy: 1.2500123752925323
Energy: 1.341844388128981
Energy: 1.3232800420531186
Energy: 1.377253821427226
Energy: 1.2442662181457929

minimum gb energy = 1.2343839211130292 eV
minimum distance =  2.2714449895108 Angstroms
sigma value = 437


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

Energy: 1.3601017657113161
Energy: 1.4129091422514248
Energy: 1.2812640344081874
Energy: 1.3026722230341448
Energy: 1.2812826391915424
Energy: 1.4133632329655448
Energy: 1.3601017657113161
Energy: 1.4129091422502253
Energy: 1.2812640344069877
Energy: 1.3026722230090055
Energy: 1.3145478642552741
Energy: 1.5250293170608766
Energy: 1.2791897931736014
Energy: 1.2632964478461497
Energy: 1.388426714943263
Energy: 1.2576190351763563
Energy: 1.3145478642540742
Energy: 1.5250293170608766
Energy: 1.2791897931736014
Energy: 1.2632964478461497
Energy: 1.2456048504886252
Energy: 1.2562823750427532
Energy: 1.254627094889809
Energy: 1.2555573265444124
Energy: 1.4372365014195096
Energy: 1.3317877930121478
Energy: 1.2456048504886252
Energy: 1.2562823750415535
Energy: 1.2546270948886096
Energy: 1.2555573265420132
Energy: 1.4488762414309597
Energy: 1.2552729346392972
Energy: 1.2790815665944613
Energy: 1.2598428074079002
Energy: 1.3183036289492556
Energy: 1.2595017601043463
Energy: 1.4488762414309597
Energy: 1.2552729346404967
Energy: 1.2790815665932618
Energy: 1.2598428074067005
Energy: 1.2475636190806236
Energy: 1.3406080258299122
Energy: 1.2807127527241289
Energy: 1.3238113778666483
Energy: 1.2323727776938924
Energy: 1.2173921402335084
Energy: 1.2475636190806236
Energy: 1.2527480080185536
Energy: 1.280712752722929
Energy: 1.3238113778654483
Energy: 1.248143643350816
Energy: 1.2902705036590176
Energy: 1.2848773466780976
Energy: 1.2450029847641166
Energy: 1.2849638532390284
Energy: 1.3344368960836168
Energy: 1.248143643350816
Energy: 1.2902705036590176
Energy: 1.2848773466780976
Energy: 1.2450029847641166
Energy: 1.437425784756382
Energy: 1.2563805402482735
Energy: 1.3298363467565761
Energy: 1.2543505824912344
Energy: 1.2788267733170988
Energy: 1.2555102534757836
Energy: 1.4374257847575815
Energy: 1.2563805402482735
Energy: 1.3298363467553767
Energy: 1.2543505824912344
Energy: 1.236935189872893
Energy: 1.3175742645406097
Energy: 1.279397901534828
Energy: 1.2591423107277082
Energy: 1.2587685084011766
Energy: 1.25525060796035
Energy: 1.2369351898704934
Energy: 1.31757426453941
Energy: 1.2793979015324284
Energy: 1.2591423107277082
Energy: 1.2336184628840292
Energy: 1.3347316193677257
Energy: 1.4703923070335974
Energy: 1.2587338633202951
Energy: 1.2811247118152231
Energy: 1.5259326266049114
Energy: 1.2336184628816298
Energy: 1.3347316193701253
Energy: 1.4703923070359968
Energy: 1.2587338633202951
Energy: 1.3092267004701938
Energy: 1.2521331392460888
Energy: 1.286059347397458
Energy: 1.322787160438343
Energy: 1.2793872508117075
Energy: 1.4415041250070981
Energy: 1.3092267004713936
Energy: 1.2521331392472883
Energy: 1.2860593473986577
Energy: 1.3227871604395427
Energy: 1.337626627791652
Energy: 1.2546784534981823
Energy: 1.2808708738625083
Energy: 1.2643681757636558
Energy: 1.3307571580214466
Energy: 1.2563915644773007
Energy: 1.3376266277904523
Energy: 1.2546784534993825
Energy: 1.2808708738613086
Energy: 1.2643681757636558
Energy: 1.214521516939281
Energy: 1.3173631004006034
Energy: 1.4740195381098198
Energy: 1.2551361274880999
Energy: 1.4740536850157573
Energy: 1.3173923709315167
Energy: 1.214521516939281
Energy: 1.3173631004006034
Energy: 1.4740195381086203
Energy: 1.2551361274880999
Energy: 1.3377083150749058
Energy: 1.256608546829907
Energy: 1.3307571580214466
Energy: 1.2643573519089661
Energy: 1.2809387532671868
Energy: 1.2547087485506505
Energy: 1.3377083150749058
Energy: 1.2566085468311066
Energy: 1.3307571580214466
Energy: 1.2643573519089661
Energy: 1.3050054769950736
Energy: 1.4414256925506344
Energy: 1.2793787201527531
Energy: 1.322752939638276
Energy: 1.2849497667533107
Energy: 1.2520772925316102
Energy: 1.3050054769950736
Energy: 1.4414256925494349
Energy: 1.279378720153953
Energy: 1.322752939639476

minimum gb energy = 1.214521516939281 eV
minimum distance =  2.28424925989212 Angstroms
sigma value = 33