Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Mo__MO_271256517527_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150153368711472
cohesive_energy=6.8105384573284145
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -9.5367431640625e-07 eV

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

Energy: 0.01962465612918233
Energy: 0.020901840692870037
Energy: 0.02092597591779662
Energy: 2.1210526062959776
Energy: 0.02092597591779662
Energy: 0.02090184069096644
Energy: 0.01962465612918233
Energy: 0.02090184069096644
Energy: 0.02092597591779662
Energy: 2.1210526062959776
Energy: 1.457627451671319
Energy: 0.020540932920694196
Energy: 0.02018083318926964
Energy: 1.4223852487142365
Energy: 0.020180833191173232
Energy: 0.020540932920694196
Energy: 1.457627451671319
Energy: 0.020540932920694196
Energy: 0.020180833191173232
Energy: 1.4223852487142365
Energy: 0.01962465612918233
Energy: 0.020901840692870037
Energy: 0.02092597591779662
Energy: 2.1210526062959776
Energy: 0.02092597591779662
Energy: 0.020901840692870037
Energy: 0.01962465612918233
Energy: 0.020901840692870037
Energy: 0.02092597591779662
Energy: 2.1210526062959776
Energy: 1.4576274516731795
Energy: 0.020540932920694196
Energy: 0.020180833191173232
Energy: 1.4223852487142365
Energy: 0.020180833191173232
Energy: 0.020540932920694196
Energy: 1.4576274516731795
Energy: 0.020540932920694196
Energy: 0.020180833191173232
Energy: 1.4223852487142365
Energy: 0.01962465612918233
Energy: 0.020901840692870037
Energy: 0.02092597591779662
Energy: 2.1210526062959776
Energy: 0.02092597591779662
Energy: 0.020901840692870037
Energy: 0.01962465612918233
Energy: 0.020901840692870037
Energy: 0.020925975919700215
Energy: 2.1210526062959776
Energy: 1.457627451671319
Energy: 0.020540932920694196
Energy: 0.02018083318926964
Energy: 1.4223852487142365
Energy: 0.02018083318926964
Energy: 0.020540932920694196
Energy: 1.4576274516731795
Energy: 0.0205409329187906
Energy: 0.020180833191173232
Energy: 1.4223852487142365
Energy: 0.01962465612918233
Energy: 0.020901840692870037
Energy: 0.02092597591779662
Energy: 2.1210526062959776
Energy: 0.02092597591779662
Energy: 0.02090184069096644
Energy: 0.01962465612918233
Energy: 0.02090184069096644
Energy: 0.02092597591779662
Energy: 2.1210526062959776

minimum gb energy = 0.01962465612918233 eV
minimum distance =  2.63979512474582 Angstroms
sigma value = 3


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

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Energy: 2.325044704981233
Energy: 2.2749331721797716
Energy: 2.432199638381978
Energy: 2.2511446237777166
Energy: 2.248002649907247
Energy: 2.5048395624729385
Energy: 2.3250447049849634
Energy: 2.2749331721737103
Energy: 2.432199638381978
Energy: 2.382109729837807
Energy: 2.1791377722738385
Energy: 2.3871730548176684
Energy: 2.5466679773492613
Energy: 2.286960092853177
Energy: 2.196229505012848
Energy: 2.382109729835942
Energy: 2.179137772271507
Energy: 2.3871730548204657
Energy: 2.5466679773371803
Energy: 2.338019373782722
Energy: 2.182836953909325
Energy: 2.26584904790478
Energy: 2.2283196494752446
Energy: 2.2233733360243466
Energy: 2.1716233384080605
Energy: 2.3380193737859862
Energy: 2.182836953906527
Energy: 2.265849047905713
Energy: 2.228319649479907
Energy: 2.214389073631478
Energy: 2.1887785127408983
Energy: 2.189220465366488
Energy: 2.1585051034317173
Energy: 2.1911794357065757
Energy: 2.1983863993512327
Energy: 2.2143890736296132
Energy: 2.188778512737168
Energy: 2.1892204653618257
Energy: 2.1585051034307847
Energy: 2.2048325999433733
Energy: 2.185764268918763
Energy: 2.183225439425488
Energy: 2.1725675647354183
Energy: 2.1581104047080597
Energy: 2.0416492515512163
Energy: 2.2048325999433733
Energy: 2.1857642689182972
Energy: 2.1832254394301507
Energy: 2.17256756473775
Energy: 2.0779126690680436
Energy: 2.183965149428897
Energy: 2.192600246757107
Energy: 2.183004426161837
Energy: 2.2139914804148746
Energy: 2.248885462299575
Energy: 2.077912669068976
Energy: 2.1839651494270313
Energy: 2.1926002467585057
Energy: 2.1830044261627695
Energy: 2.2143237557365887
Energy: 2.192318602289212
Energy: 2.252818630516978
Energy: 2.266354340854351
Energy: 2.2064370331394545
Energy: 2.246090125920191
Energy: 2.2143237557407853
Energy: 2.1923186022915435
Energy: 2.2528186305137137
Energy: 2.266354340853885
Energy: 2.167776231351682
Energy: 2.333707200159799
Energy: 2.1595530651859294
Energy: 2.185486810757743
Energy: 2.1840479437145803
Energy: 2.3542180433345385
Energy: 2.1677762313456204
Energy: 2.3337072001593326
Energy: 2.1595530651849963
Energy: 2.18548681075821
Energy: 2.2483476149415416
Energy: 2.3865986690384307
Energy: 2.2177006191081756
Energy: 2.375171744167353
Energy: 2.2799776711494353
Energy: 2.367574923439372
Energy: 2.2483476149462045
Energy: 2.38659866904356
Energy: 2.2177006191095745
Energy: 2.3751717441636226
Energy: 2.3219226241710587
Energy: 2.257773318604829
Energy: 2.369996774411434
Energy: 2.3153077432925784
Energy: 2.526532422431071
Energy: 2.4740476582055173
Energy: 2.3219226241673288
Energy: 2.257773318612756
Energy: 2.3699967744137656
Energy: 2.315307743290713
Energy: 2.221499458356519
Energy: 2.281368053187287
Energy: 2.178195432463985
Energy: 2.2665979711508206
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Energy: 2.221499458356519
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Energy: 2.2665979711554836
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Energy: 2.0722101740273167
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Energy: 2.157704617827521
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Energy: 2.168168072419179
Energy: 2.219825110784163
Energy: 2.185168791980211
Energy: 2.213004885267823
Energy: 2.1754252060417967
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Energy: 2.1933191930935823
Energy: 2.219825110783696
Energy: 2.1851687919788114
Energy: 2.2130048852715527
Energy: 2.175425206036668
Energy: 2.1778027135923805
Energy: 2.236206959305075
Energy: 2.196299442360077
Energy: 2.172667514691266
Energy: 2.152244042650979
Energy: 2.216924093123966
Energy: 2.1778027135923805
Energy: 2.236206959299946
Energy: 2.196299442360077
Energy: 2.172667514687536
Energy: 2.205882264388248
Energy: 2.19944374614315
Energy: 2.1234056714611125
Energy: 2.1792234010030667
Energy: 2.2520089980195936
Energy: 2.0708668707120816
Energy: 2.205882264392911
Energy: 2.1994437461501444
Energy: 2.123405671463444
Energy: 2.1792234010049314
Energy: 2.264946890078089
Energy: 2.2253153963899948
Energy: 2.286744277383295
Energy: 2.1962350521701173
Energy: 2.3653877199372246
Energy: 2.2041743242477128
Energy: 2.264946890080887
Energy: 2.2253153963946577
Energy: 2.2867442773828293
Energy: 2.196235052167786
Energy: 2.3635158698511725
Energy: 2.2353170601230476
Energy: 2.226574564753424
Energy: 2.2426799258783507
Energy: 2.4742433938194757
Energy: 2.35849576531935
Energy: 2.363515869855369
Energy: 2.235317060119784
Energy: 2.226574564749694
Energy: 2.242679925879749
Energy: 2.4158406306775437
Energy: 2.652514935222065
Energy: 2.383213024104994
Energy: 2.244643672728702
Energy: 2.411544961763073
Energy: 2.2125799464094094
Energy: 2.415840630666353
Energy: 2.652514935222532
Energy: 2.383213024099399
Energy: 2.244643672723106
Energy: 2.2016032209877068
Energy: 2.1606617599523656
Energy: 2.2509100599646756
Energy: 2.1673971967492203
Energy: 2.354558739426924
Energy: 2.1745519381718936
Energy: 2.2016032209839764
Energy: 2.160661759951899
Energy: 2.250910059964209
Energy: 2.1673971967482877
Energy: 2.264627905290089
Energy: 2.128399392360117
Energy: 2.1948433976152733
Energy: 2.1359897899756213
Energy: 2.185972699149589
Energy: 2.2121926331563393
Energy: 2.2646279052965745
Energy: 2.1283993923647797
Energy: 2.1948433976213346
Energy: 2.135989789974223
Energy: 2.204998451340157
Energy: 2.192464503848805
Energy: 2.166158016410507
Energy: 2.0714378160992597
Energy: 2.2490265714687685
Energy: 2.209504063179578
Energy: 2.204998451343421
Energy: 2.1924645038460078
Energy: 2.1661580164133047
Energy: 2.0714378160964615
Energy: 2.181406239347463
Energy: 2.184614232192603
Energy: 2.1833530374604138
Energy: 2.2051808494411844
Energy: 2.039928023557123
Energy: 2.21704883225288
Energy: 2.18140623934793
Energy: 2.1846142321870077
Energy: 2.1833530374543524
Energy: 2.205180849449111
Energy: 2.2267412884988813
Energy: 2.1949079425407683
Energy: 2.2006073702632434
Energy: 2.0230087876933616
Energy: 2.198735902073044
Energy: 2.1845705702310476
Energy: 2.226741288494261
Energy: 2.1949079425351727
Energy: 2.2006073702674405
Energy: 2.0230087876966256
Energy: 2.231892051123888
Energy: 2.2660177469971856
Energy: 2.2085168874280505
Energy: 2.3376636991526656
Energy: 2.172401053001232
Energy: 2.237519343989287
Energy: 2.231892051124821
Energy: 2.2660177469934557
Energy: 2.2085168874238543
Energy: 2.3376636991591506
Energy: 2.2078665682752168
Energy: 2.3833448371352324
Energy: 2.0655849962561135
Energy: 2.3898187393289416
Energy: 2.221014649909505
Energy: 2.281569275693478
Energy: 2.2078665682672898
Energy: 2.383344837131502
Energy: 2.065584996265439
Energy: 2.3898187393308072
Energy: 2.3269919890023507
Energy: 2.250783262924738
Energy: 2.2170347342660217
Energy: 2.4598485880362317
Energy: 2.2167856399523873
Energy: 2.2749331721769743
Energy: 2.326991988999087
Energy: 2.2507832629289353
Energy: 2.21703473425996
Energy: 2.4598485880371648
Energy: 2.546667977338113
Energy: 2.286960092853643
Energy: 2.1962295050137803
Energy: 2.3821097298387395
Energy: 2.1791377722798995
Energy: 2.3871730548144043
Energy: 2.546667977338579
Energy: 2.2869600928597045
Energy: 2.1962295050133145
Energy: 2.382109729841071
Energy: 2.2318920511290172
Energy: 2.223373336022948
Energy: 2.171623338408527
Energy: 2.3380193737831885
Energy: 2.1828369539107237
Energy: 2.2658490479052467
Energy: 2.2318920511294413
Energy: 2.2233733360257455
Energy: 2.1716233384080605
Energy: 2.3380193737822563
Energy: 2.158505103432183
Energy: 2.1911794357061094
Energy: 2.1988312299840156
Energy: 2.214389073632411
Energy: 2.1887785127441624
Energy: 2.1892204653650893
Energy: 2.1585051034317173
Energy: 2.1911794357065757
Energy: 2.1988312299844823
Energy: 2.21438907362868

minimum gb energy = 2.0230087876933616 eV
minimum distance =  2.41974724381666 Angstroms
sigma value = 75


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

Energy: 2.710536838178456
Energy: 2.459257706438884
Energy: 2.5509566422184577
Energy: 2.597938606397947
Energy: 2.51475693658739
Energy: 2.529379059797333
Energy: 2.7105368381739052
Energy: 2.459257706438884
Energy: 2.5509566422184577
Energy: 2.5979386063933965
Energy: 2.3934176242451053
Energy: 2.18710151462059
Energy: 2.419138855990672
Energy: 2.398575585619238
Energy: 2.3901419742062027
Energy: 2.4310211720597743
Energy: 2.3934176242473804
Energy: 2.1871015146251405
Energy: 2.4191388559952225
Energy: 2.3985755856033117
Energy: 2.27709420805939
Energy: 2.1973678952686613
Energy: 2.2518968447354086
Energy: 2.2257860100224773
Energy: 2.3200078770532464
Energy: 2.262998854584816
Energy: 2.277094208057115
Energy: 2.1973678952709363
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Energy: 2.2257860100179268
Energy: 2.214421299275468
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Energy: 2.392211950435934
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Energy: 2.224168892895352
Energy: 2.240032100375647
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Energy: 2.4751025095625305
Energy: 2.4906340290430102
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Energy: 2.391401885758234
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Energy: 2.4223629436697256
Energy: 2.4751025095625305
Energy: 2.4906340290384597
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Energy: 2.3288558728625204
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Energy: 2.2535253022262514
Energy: 2.254663789091398
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Energy: 2.192956979733157
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Energy: 2.230287781805281
Energy: 2.22618272892307
Energy: 2.254663789091398
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Energy: 2.192956979735432
Energy: 2.2535770520585165
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Energy: 2.343533577305152
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Energy: 2.3640017051062663
Energy: 2.390581814583741
Energy: 2.411491750384163
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Energy: 2.2268413806167593
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Energy: 2.238104689658898
Energy: 2.240645302145002
Energy: 2.3184826465692474
Energy: 2.2536638903397592
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Energy: 2.2637443104662784
Energy: 2.240519258251756
Energy: 2.2993491089998894
Energy: 2.2231993562613783
Energy: 2.225493740080349
Energy: 2.2531931112658943
Energy: 2.263744310464003
Energy: 2.467523870192329
Energy: 2.345383076950262
Energy: 2.398475685071336
Energy: 2.263180180527221
Energy: 2.427773795535702
Energy: 2.426391068915521
Energy: 2.467523870192329
Energy: 2.345383076950262
Energy: 2.398475685071336
Energy: 2.2631801805317715
Energy: 2.300379831049089
Energy: 2.4069703850195987
Energy: 2.4192400128779536
Energy: 2.6313986498767745
Energy: 2.444272862172144
Energy: 2.177725250057987
Energy: 2.300379831046814
Energy: 2.4069703850264244
Energy: 2.4192400128779536
Energy: 2.6313986498881503
Energy: 2.4809616308845115
Energy: 2.4020649512640637
Energy: 2.3926110285018094
Energy: 2.50383176290435
Energy: 2.44392938667566
Energy: 2.5797999726138383
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Energy: 2.4020649512708894
Energy: 2.3926110285018094
Energy: 2.50383176290435
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minimum gb energy = 2.132514374032156 eV
minimum distance =  2.38443709305392 Angstroms
sigma value = 105


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

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Energy: 2.2694022304853947
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Energy: 2.1637566753983104
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Energy: 2.259400960233213
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Energy: 2.2700535226748952
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Energy: 2.2478017022427217
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Energy: 2.2903582006519696
Energy: 2.387071766143005
Energy: 2.2478017022435153
Energy: 2.3290900735188744
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Energy: 2.178722227168068
Energy: 2.248064939244732
Energy: 2.372250129041389
Energy: 2.1584258900746547
Energy: 2.466327055669946
Energy: 2.2245105366217373
Energy: 2.1787222271655016
Energy: 2.2480649392439394
Energy: 2.372250129042182
Energy: 2.1584258900772215
Energy: 2.183622591201513
Energy: 2.3774598153773723
Energy: 2.28364232054469
Energy: 2.2132924306697217
Energy: 2.299015553564811
Energy: 2.184451269455168
Energy: 2.183622591203053
Energy: 2.3774598153768594
Energy: 2.28364232054161
Energy: 2.2132924306722885
Energy: 2.366354740224119
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Energy: 2.2821490865679084
Energy: 2.3215056587518386
Energy: 2.2473468006773207
Energy: 2.540910784058695
Energy: 2.3663547402277127
Energy: 2.294017333147972
Energy: 2.2821490865704748
Energy: 2.321505658754405

minimum gb energy = 2.137395571757435 eV
minimum distance =  2.42303485778074 Angstroms
sigma value = 165


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

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Energy: 2.5206877965557797
Energy: 2.1653458039215367
Energy: 2.669061303926424
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Energy: 2.4605668726395584
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Energy: 2.4605668726413206
Energy: 2.2062989068871808
Energy: 2.1340171433076875
Energy: 2.0567909315570643
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Energy: 2.4600662981369545
Energy: 2.0570479292698796
Energy: 2.3449322880741295
Energy: 2.2286575533532385
Energy: 2.0567909315544206
Energy: 2.3424144480950995
Energy: 2.4600662981378356
Energy: 2.057047929271642
Energy: 2.3399239015403457
Energy: 2.1661038213542043
Energy: 2.133600172118641
Energy: 2.2107893404012144
Energy: 2.05649791037954
Energy: 2.0036532355009036
Energy: 2.339923901538583
Energy: 2.1661038213542043
Energy: 2.133600172116879
Energy: 2.2107893404012144
Energy: 2.1686652304724405
Energy: 2.1653668522142406
Energy: 2.523542175989591
Energy: 2.207976282753211
Energy: 2.5206877965557797
Energy: 2.1653458039215367
Energy: 2.168665230475084
Energy: 2.16536685221336
Energy: 2.523542175989591
Energy: 2.207976282753211

minimum gb energy = 2.0035487874356477 eV
minimum distance =  2.45085412876392 Angstroms
sigma value = 41


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

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Energy: 2.2643225586879403
Energy: 1.9892817135799654
Energy: 2.822047983456149
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Energy: 1.9753357673008214
Energy: 2.2949445728591917
Energy: 2.4415067321932664
Energy: 2.1412331051764104
Energy: 1.9752556864721622
Energy: 2.330765132643568
Energy: 2.0150697147240213
Energy: 2.2949445728591917
Energy: 2.441506732197058
Energy: 2.1412331051832485
Energy: 1.9752556864721622
Energy: 2.1989539688030963
Energy: 2.8445878225032346
Energy: 2.26296180388461
Energy: 2.0178369234394595
Energy: 2.398201381515707
Energy: 1.9894064592331608
Energy: 2.198953968806515
Energy: 2.8445878224987586
Energy: 2.262961803885978
Energy: 2.017836923443935
Energy: 2.0738016577373
Energy: 2.269893513952068
Energy: 2.144810282147923
Energy: 2.0155334075004703
Energy: 2.170571065826602
Energy: 2.0677209887969927
Energy: 2.0738016577373
Energy: 2.2698935139431793
Energy: 2.1448102821410853
Energy: 2.0155334075011537
Energy: 2.2257404560892082
Energy: 1.9924971096431856
Energy: 2.0064333134667733
Energy: 2.2619227633920915
Energy: 1.975204350060699
Energy: 1.9752312937641376
Energy: 2.2257404560892082
Energy: 1.9924971096431856
Energy: 2.006433313459936
Energy: 2.261922763388673
Energy: 2.016600489471265
Energy: 1.997289533159801
Energy: 2.3559867623729756
Energy: 1.9166095657726319
Energy: 2.0677199106700948
Energy: 2.3533552804081945
Energy: 2.016600489481149
Energy: 1.9972895331803149
Energy: 2.35598676237024
Energy: 1.91660956577947
Energy: 2.0180408945636006
Energy: 2.171205678682264
Energy: 2.749414630062616
Energy: 2.309263365786097
Energy: 1.9893174718966793
Energy: 2.2339965529493355
Energy: 2.0180408945598707
Energy: 2.171205678681207
Energy: 2.7494146300632996
Energy: 2.3092633657874644
Energy: 1.975576253166577
Energy: 2.0741965412508834
Energy: 2.254054285035802
Energy: 2.144921536195224
Energy: 2.015021614124926
Energy: 2.3306191967199736
Energy: 1.975576253173415
Energy: 2.0741965412508834
Energy: 2.2540542850364855
Energy: 2.144921536195224
Energy: 1.9845532610087917
Energy: 2.2646744358945092
Energy: 2.006640724346446
Energy: 1.992931027804037
Energy: 2.2628868050739137
Energy: 1.9517254621862319
Energy: 1.984553261012211
Energy: 2.2646744359013473
Energy: 2.006640724346446
Energy: 1.992931027810875
Energy: 2.244056636596269
Energy: 2.0176981447999243
Energy: 1.9971251768554226
Energy: 1.9960281774236284
Energy: 1.9198368535462877
Energy: 2.07101765484734
Energy: 2.244056636596269
Energy: 2.0176981447995512
Energy: 1.9971251768588416
Energy: 1.9960281774270472
Energy: 2.2330599241580633
Energy: 2.0180261949732157
Energy: 2.34914857611535
Energy: 2.2039021643636207
Energy: 2.25841719904204
Energy: 2.232660315669841
Energy: 2.2330599241649014
Energy: 2.018026194976324
Energy: 2.349148576131388
Energy: 2.203902164365361
Energy: 2.35252882778523
Energy: 1.9759796166072332
Energy: 2.2519503836966472
Energy: 2.325001015524858
Energy: 2.050134553738558
Energy: 2.0182123477162492
Energy: 2.35252882778523
Energy: 1.975979616614071
Energy: 2.2519503836898096
Energy: 2.3250010155238634

minimum gb energy = 1.8286745678201692 eV
minimum distance =  2.42465771956009 Angstroms
sigma value = 185


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

Energy: 2.1225654281332464
Energy: 1.8064699367867352
Energy: 1.8084778451059462
Energy: 2.806150522211898
Energy: 1.8089992695337322
Energy: 1.8064064088583076
Energy: 2.1225654281324347
Energy: 1.806469936787141
Energy: 1.8084778451071637
Energy: 2.806150522211492
Energy: 1.7477941122417666
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Energy: 1.7472370473675
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Energy: 2.0354094944566796
Energy: 1.7477941122425413
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Energy: 1.8076485725716507
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Energy: 2.772436599418953
Energy: 1.8061267893437902
Energy: 2.585813029614074
Energy: 2.4924989598635254
Energy: 2.7043103212295216
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Energy: 1.7471955649858952
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Energy: 1.8100089261093395
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Energy: 2.122629164681492
Energy: 2.70817610072383
Energy: 1.7471955649858952
Energy: 1.8063371516844065
Energy: 1.81000892610731
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Energy: 2.0353178427782166
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Energy: 1.7472062379243276
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Energy: 1.7472062379235158
Energy: 2.708211407051547
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Energy: 1.8061676559933557
Energy: 2.7041000166961298
Energy: 1.9891032793845245
Energy: 1.7550192951769166
Energy: 1.746873912862488
Energy: 1.8061691003817857
Energy: 1.8061676559929496
Energy: 2.704100016695724
Energy: 2.492499805970928
Energy: 2.5858130296132624
Energy: 1.8061239751976523
Energy: 2.772441328923862
Energy: 1.8058414153280762
Energy: 1.806159256421839
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Energy: 2.5858130296136688
Energy: 1.806123975198058
Energy: 2.772441328923862
Energy: 1.8076524733504005
Energy: 1.7471301204460288
Energy: 1.8060585761554255
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Energy: 1.807652473349995
Energy: 1.7471301204464347
Energy: 1.806058576156643
Energy: 1.7478489249543265
Energy: 2.5824077056687145
Energy: 1.8089992695333263
Energy: 1.8064064088591194
Energy: 2.12256542813487
Energy: 1.806469936787141
Energy: 1.8084778451055403
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Energy: 1.8089992695353556
Energy: 1.8064064088587135
Energy: 2.1225654281336523
Energy: 1.80764857257368
Energy: 1.8060310196739287
Energy: 2.0354094944570855
Energy: 1.7477941122445704
Energy: 1.8060287276321114
Energy: 1.747237047365471
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Energy: 1.8060310196739287
Energy: 2.035409494455868
Energy: 1.7477941122437588
Energy: 2.4924989598635254
Energy: 1.8061346368788265
Energy: 1.80596429318226
Energy: 2.772436599418547
Energy: 1.8061267893462254
Energy: 2.58581302961448
Energy: 2.4924989598639313
Energy: 1.806134636879638
Energy: 1.8059642931834776
Energy: 2.772436599419359
Energy: 1.7468878153251448
Energy: 1.7549830051527573
Energy: 1.9890826788638294
Energy: 2.7043103212331743
Energy: 1.806196486622017
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Energy: 1.746887815324739
Energy: 1.754983005153163
Energy: 1.9890826788634237
Energy: 2.7043103212315507
Energy: 1.8100089261064984
Energy: 2.22411192842607
Energy: 2.1226291646827096
Energy: 2.7081761007234246
Energy: 1.7471955649850837
Energy: 1.8063371516840006
Energy: 1.8100089261060925
Energy: 2.2241119284329693
Energy: 2.1226291646831155
Energy: 2.708176100722207
Energy: 1.8067448372715331
Energy: 1.8058191263304348
Energy: 1.8702916906374154
Energy: 1.8070545138622547
Energy: 1.808050266413872
Energy: 2.0353178427774052
Energy: 1.8067448372711272
Energy: 1.805819126330029
Energy: 1.8702916906370095
Energy: 1.8372684513111028
Energy: 2.330570038223674
Energy: 1.8702345656657677
Energy: 1.8058310328610279
Energy: 1.8067459022321317
Energy: 1.9584224605177
Energy: 1.8080532535350657
Energy: 2.3305700382273264
Energy: 1.8702345656661736
Energy: 1.8058310328610279
Energy: 1.8067459022337549
Energy: 2.7082114070527648
Energy: 2.122850422450982
Energy: 2.2241475203616385
Energy: 1.809935508272244
Energy: 1.8061526644442574
Energy: 1.7472062379243276
Energy: 2.708211407051953
Energy: 2.122850422452605
Energy: 2.2241475203624503
Energy: 1.8099355082734616
Energy: 2.704100016694506
Energy: 1.9891032793841188
Energy: 1.7550192951761048
Energy: 1.7468739128600528
Energy: 1.806169100380162
Energy: 1.8061676559937614
Energy: 2.7041000166949125
Energy: 1.989103279382901
Energy: 1.7550192951769166
Energy: 1.7468739128608648
Energy: 2.7724413289222385
Energy: 1.8058414153272646
Energy: 1.8061592564206215
Energy: 2.4924998059705215
Energy: 2.58581302961448
Energy: 1.8061239751976523
Energy: 2.7724413289234557
Energy: 1.8058414153284823
Energy: 1.80615925641981
Energy: 2.492499805970116
Energy: 1.747848924956356
Energy: 2.035409494455868
Energy: 1.8060865000139525
Energy: 1.8076524733504005
Energy: 1.7471301204452172
Energy: 1.8060585761554255
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Energy: 2.035409494455868
Energy: 1.8060865000139525
Energy: 1.8076524733504005
Energy: 2.1225654281324347
Energy: 1.8064699367863295
Energy: 1.8084778451071637
Energy: 2.2281291256633167
Energy: 1.8089992695325146
Energy: 1.8064064088587135
Energy: 2.1225654281332464
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Energy: 1.7477941122425413
Energy: 1.806028727630894
Energy: 1.7472370473670944
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Energy: 1.8060310196731166
Energy: 2.035409494455868
Energy: 1.7477941122413605
Energy: 1.8060287276325175
Energy: 1.7472370473675
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Energy: 2.772436599418953
Energy: 1.8061267893437902
Energy: 2.585813029615292
Energy: 2.4924989598635254
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Energy: 1.8059642931838833
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Energy: 1.806126789344602
Energy: 2.5858130296156974
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Energy: 2.704310321230739
Energy: 1.8061964866212055
Energy: 1.8062495628363193
Energy: 1.746887815324333
Energy: 1.754983005153975
Energy: 1.9890826788642353
Energy: 2.7043103212295216
Energy: 1.806196486620394
Energy: 1.8062495628338844
Energy: 1.746887815324333
Energy: 2.70817610072383
Energy: 1.7471955649854893
Energy: 1.8063371516827829
Energy: 1.8100089261085275
Energy: 2.2241119284305344
Energy: 2.1226291646806805
Energy: 2.708176100721801
Energy: 1.7471955649858952
Energy: 1.8063371516864357
Energy: 1.8100089261085275
Energy: 1.807054513859008
Energy: 1.808050266413872
Energy: 2.0353178427757816
Energy: 1.8067448372739314
Energy: 1.8058191263292172
Energy: 1.8702916906349802
Energy: 1.8070545138594138
Energy: 1.8080502664126543
Energy: 2.0353178427782166
Energy: 1.806744837272345
Energy: 1.8067459022325376
Energy: 1.899463192563342
Energy: 1.8080532535354714
Energy: 2.3630976946359965
Energy: 1.8702345656645503
Energy: 1.8058310328614335
Energy: 1.8067459022329435
Energy: 1.8994631925653713
Energy: 1.808053253537501
Energy: 2.3630976946355906
Energy: 1.8099355082702147
Energy: 1.806152664445881
Energy: 1.7472062379227042
Energy: 2.7082114070511416
Energy: 2.1228504224521996
Energy: 2.2241475203640735
Energy: 1.8099355082710267
Energy: 1.8061526644446633
Energy: 1.7472062379239215
Energy: 2.7082114070531706
Energy: 1.7468739128632995
Energy: 1.8061691003813796
Energy: 1.8061676559933557
Energy: 2.704100016695724
Energy: 1.989103279383713
Energy: 1.755019295174887
Energy: 1.7468739128641113
Energy: 1.8061691003821914
Energy: 1.8061676559945732
Energy: 2.7041000166961298
Energy: 2.4924998059705215
Energy: 2.585813029612451
Energy: 1.806123975198058
Energy: 2.772441328924268
Energy: 1.805841415326453
Energy: 1.8061592564222448
Energy: 2.492499805970116
Energy: 2.585813029612857
Energy: 1.8061239751976523
Energy: 2.7724413289234557
Energy: 1.807652473349995
Energy: 1.747130120445623
Energy: 1.806058576156643
Energy: 1.747848924956356
Energy: 2.0354094944554624
Energy: 1.8060865000143584
Energy: 1.8076524733504005
Energy: 1.7471301204464347
Energy: 1.8060585761554255
Energy: 1.747848924955138

minimum gb energy = 1.7468739128600528 eV
minimum distance =  2.48309729699424 Angstroms
sigma value = 33


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

Energy: 2.3052842476760222
Energy: 2.5166027058651226
Energy: 2.2923846056442057
Energy: 2.884280471691612
Energy: 2.1490478769135017
Energy: 2.517182074213299
Energy: 2.3052842476737943
Energy: 2.5166027058628946
Energy: 2.2923846056442057
Energy: 2.884280471689384
Energy: 2.5515168700138475
Energy: 2.4044505355602057
Energy: 2.3095121908878347
Energy: 2.25882437606881
Energy: 2.030072208323914
Energy: 2.0333492256639474
Energy: 2.5515168700138475
Energy: 2.4044505355602057
Energy: 2.309512190890062
Energy: 2.25882437606881
Energy: 2.059590756417575
Energy: 1.9723916816353644
Energy: 2.4456197563626567
Energy: 2.4242832532804792
Energy: 2.030480685189307
Energy: 2.0452159298229544
Energy: 2.0595907564198024
Energy: 1.9723916816353644
Energy: 2.4456197563582007
Energy: 2.4242832532804792
Energy: 2.1552087966551863
Energy: 1.97218410782465
Energy: 2.2230649981511887
Energy: 2.280836766104323
Energy: 2.4171723657051856
Energy: 2.3910848739559145
Energy: 2.1552087966485027
Energy: 1.9721841078291062
Energy: 2.2230649981623287
Energy: 2.2808367661065514
Energy: 2.2227119003348794
Energy: 1.9725141597311542
Energy: 2.185361727548347
Energy: 2.39234572436687
Energy: 2.291543019045603
Energy: 2.2809173545826282
Energy: 2.2227119003371074
Energy: 1.9725141597222426
Energy: 2.185361727550575
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Energy: 2.60395541185739
Energy: 1.9722464811995128
Energy: 2.0591696509385375
Energy: 2.045115598087042
Energy: 2.0301787674646374
Energy: 2.537685057760383
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Energy: 2.429541993015757
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Energy: 2.5260206700394856
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Energy: 2.0301082057779976
Energy: 2.0458564180589507
Energy: 2.5508333106194305
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Energy: 2.0301082057824535
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Energy: 2.3815095548061587
Energy: 2.030956119649043
Energy: 2.046488163909994
Energy: 2.0596805892689676
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Energy: 2.38282660135314
Energy: 2.3653396892255008
Energy: 2.030956119646815
Energy: 2.046488163909994
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Energy: 1.9723861792481896
Energy: 2.493970887486163
Energy: 2.3155781107881177
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Energy: 1.972481370762817
Energy: 2.2916169627547758
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Energy: 2.222741363080391
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Energy: 2.202646427043541
Energy: 2.537133303845632
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Energy: 1.9725618410965648
Energy: 2.0301856053570124
Energy: 2.2344529345784787
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Energy: 1.972419166067683
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Energy: 2.0301856053614684
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Energy: 1.972419166067683
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Energy: 2.3094613302147895
Energy: 2.5109141910170356
Energy: 2.5240354175863664
Energy: 2.0939919043572393
Energy: 2.030122385517266
Energy: 2.2588036474104496
Energy: 2.3094613302125615
Energy: 2.5109141910148076
Energy: 2.2978274212674745
Energy: 2.4491943445625006
Energy: 2.355565481760385
Energy: 2.534234327018526
Energy: 2.215313062050592
Energy: 2.4608277620596244
Energy: 2.297827421269703
Energy: 2.449194344566957
Energy: 2.355565481755929
Energy: 2.5342343270096137
Energy: 2.3097367030584275
Energy: 2.2590063388129913
Energy: 2.0300639416550923
Energy: 2.0452848505891565
Energy: 2.373972174044364
Energy: 2.4268821133667178
Energy: 2.309736703060655
Energy: 2.2590063388108033
Energy: 2.0300639416550923
Energy: 2.0452848505869285
Energy: 2.0725757808367344
Energy: 2.39202614785005
Energy: 2.0310095706282376
Energy: 2.045342216416253
Energy: 2.0619973531010984
Energy: 1.9724623039810365
Energy: 2.072575780838962
Energy: 2.39202614785005
Energy: 2.031009570630466
Energy: 2.045342216411797
Energy: 2.222878801173892
Energy: 2.2811488092054963
Energy: 2.4938170826970287
Energy: 2.315349674765873
Energy: 2.2656306578902736
Energy: 1.9726424533102476
Energy: 2.2228788011716634
Energy: 2.281148809203269
Energy: 2.493817082705941
Energy: 2.3153496747681013
Energy: 2.0029435663037916
Energy: 2.52651744101215
Energy: 2.179000539119664
Energy: 2.2808591845858235
Energy: 2.1435609317433864
Energy: 1.9724460009642115
Energy: 2.002943566306019
Energy: 2.526517441007694
Energy: 2.179000539121892
Energy: 2.280859184592508
Energy: 2.1095723976270464
Energy: 2.0455588554378394
Energy: 2.030262960696668
Energy: 2.2294717383558322
Energy: 2.5857031617112334
Energy: 1.9725524114170747
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Energy: 1.9927704692098929
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Energy: 2.045523722543032
Energy: 2.1509269611862805
Energy: 2.3153277605128517
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Energy: 1.9733837425066152
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Energy: 2.5582634343307302
Energy: 2.2253341600133183
Energy: 2.280788283969805
Energy: 2.4948043195766076
Energy: 2.281317533654676

minimum gb energy = 1.9453265324666726 eV
minimum distance =  2.41009483575018 Angstroms
sigma value = 219


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

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Energy: 2.0046874901954372
Energy: 3.361771311783764
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Energy: 2.147331748553999
Energy: 2.0048842401205134
Energy: 2.0122344187628047
Energy: 2.004695092629907
Energy: 2.5824910579999996

minimum gb energy = 1.8210466995303498 eV
minimum distance =  2.5028336398981 Angstroms
sigma value = 15


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

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Energy: 3.174580059359535
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minimum gb energy = 2.080243959143273 eV
minimum distance =  2.43909072624101 Angstroms
sigma value = 293


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

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Energy: 2.2500478048480534
Energy: 2.4282389029112235
Energy: 2.25631570007137
Energy: 2.361059675011619
Energy: 2.2268886128428735
Energy: 2.250361507870977
Energy: 2.109746134253603
Energy: 2.4282389029115565
Energy: 2.256315700071703
Energy: 2.3610596750129513
Energy: 2.2268886128428735
Energy: 2.3470309865233885
Energy: 2.2563809874047425
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Energy: 2.318805820410513
Energy: 2.4107626447603008
Energy: 2.228480604302063
Energy: 2.347030986526053
Energy: 2.256380987404409
Energy: 2.22068264363463
Energy: 2.3188058204108466
Energy: 2.2082191848125405
Energy: 2.504878515466476
Energy: 2.261802745598986
Energy: 2.255783071216717
Energy: 2.6481927021196454
Energy: 2.142964631710723
Energy: 2.208219184812874
Energy: 2.5048785154654762
Energy: 2.26180274559832
Energy: 2.2557830712180498
Energy: 2.2083950934291985
Energy: 2.208659159474333
Energy: 2.1833094937296624
Energy: 2.559616580082379
Energy: 2.3935869526743008
Energy: 2.344206073249613
Energy: 2.2083950934281993
Energy: 2.208659159474333
Energy: 2.183309493729996
Energy: 2.559616580081713
Energy: 2.235986929665543
Energy: 2.3190479665606905
Energy: 2.2688081344605107
Energy: 2.441496653240843
Energy: 2.284882377146361
Energy: 2.4738194898457784
Energy: 2.235986929664543
Energy: 2.3190479665610235
Energy: 2.268808134460177
Energy: 2.4414966532398434
Energy: 2.2287574063550117
Energy: 2.337740516015049
Energy: 2.3377352606293442
Energy: 2.228697557237842
Energy: 2.1790677467255897
Energy: 2.17906262327483
Energy: 2.228757406354345
Energy: 2.3377405160140503
Energy: 2.337735260629677
Energy: 2.228697557238175
Energy: 2.4416263996718803
Energy: 2.2687830235194624
Energy: 2.3191861405952046
Energy: 2.232906924377994
Energy: 2.473793857345687
Energy: 2.2850349369932776
Energy: 2.4416263996718803
Energy: 2.2687830235187962
Energy: 2.3191861405958707
Energy: 2.2329069243783266
Energy: 2.5593688154390395
Energy: 2.1833213051267317
Energy: 2.2086306884146967
Energy: 2.208349899512699
Energy: 2.344248081613568
Energy: 2.393553118675468
Energy: 2.5593688154390395
Energy: 2.1833213051270652
Energy: 2.2086306884140305
Energy: 2.2083498995123665
Energy: 2.2557339120747697
Energy: 2.2620205365664554
Energy: 2.5048785154668085
Energy: 2.208151590642407
Energy: 2.142983368961928
Energy: 2.6481927021226426
Energy: 2.2557339120747697
Energy: 2.2620205365654567
Energy: 2.504878515466143
Energy: 2.208151590643073
Energy: 2.3188484997869145
Energy: 2.2207312810913966
Energy: 2.2562426198352523
Energy: 2.3468766853923997
Energy: 2.2286094447531104
Energy: 2.410931346382089
Energy: 2.3188484997862484
Energy: 2.2207312810917292
Energy: 2.256242619835585
Energy: 2.3468766853910674

minimum gb energy = 2.1097461342509383 eV
minimum distance =  2.41580159695367 Angstroms
sigma value = 293


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

Energy: 1.753549133445297
Energy: 2.2679455367994614
Energy: 1.8708558929292023
Energy: 3.1145191098628713
Energy: 1.8708587643457661
Energy: 2.2681208105517894
Energy: 1.753549133445899
Energy: 2.267945530491203
Energy: 1.8708558929298045
Energy: 3.1145191098628713
Energy: 2.028355215883267
Energy: 3.1219040255900445
Energy: 1.8708971320039138
Energy: 2.6169163724363074
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Energy: 2.616913070980089
Energy: 1.875430394889613
Energy: 1.7529335155104497
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Energy: 1.8725177596436642
Energy: 1.875430394889613
Energy: 1.7529335155098478
Energy: 2.5715499240224937
Energy: 1.752927940301926
Energy: 2.571578282746428
Energy: 1.7529152055378123
Energy: 1.8756014051991794
Energy: 1.8725111875047311
Energy: 2.02848507132217
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Energy: 3.1145191098628713
Energy: 1.8708587643481738
Energy: 2.2681208105343593
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Energy: 3.1219040255906467
Energy: 1.8708971320045156
Energy: 2.6169380150140507
Energy: 2.5146337946293045
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Energy: 3.1219040255912485
Energy: 2.028547266888427
Energy: 1.8725177596442664
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Energy: 2.028484466338782
Energy: 1.7529033901416726
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Energy: 1.8756014051931873
Energy: 1.8725111875047311
Energy: 2.0284850487348494
Energy: 1.7529033901422748
Energy: 2.5715782827458264
Energy: 1.7529152055408221
Energy: 2.5146333744088403
Energy: 2.514915554718235
Energy: 1.8709356910232546
Energy: 3.1219040255894424
Energy: 2.0286680953362897
Energy: 1.8711952106860354
Energy: 2.5146333744094425
Energy: 2.393284563345012
Energy: 1.8709356910226524
Energy: 3.1219040255894424
Energy: 1.8708558929310082
Energy: 3.114519109862269
Energy: 1.8708587643469698
Energy: 2.268120810531952
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Energy: 3.1145191098628713
Energy: 1.8708587643463679
Energy: 2.2681208105325537
Energy: 1.8708971320063217
Energy: 2.616929543210739
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Energy: 2.0283552145053863
Energy: 3.1219040255894424
Energy: 1.8708971320039138
Energy: 2.6169145169314576
Energy: 2.5146337946299067
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Energy: 2.5715499240224937
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Energy: 2.0285472826367705
Energy: 1.8725177596436642
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Energy: 1.8725177596442664
Energy: 1.8756014051859635
Energy: 1.8725111875041291
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Energy: 1.7529033901386901
Energy: 2.571578282747632
Energy: 1.7529152055378123
Energy: 1.8756014051931873
Energy: 1.8725111875047311
Energy: 2.0284843701338153
Energy: 1.7529033901410982
Energy: 2.0286680955065926
Energy: 1.8711952106848317
Energy: 2.5146333744088403
Energy: 2.43406638507142
Energy: 1.8709356910244583
Energy: 3.1219040255894424
Energy: 2.0286680953730096
Energy: 1.8711952106818217
Energy: 2.5146333744088403
Energy: 2.2955509481572656
Energy: 1.7535491334434912
Energy: 2.267945531352841
Energy: 1.870855892932814
Energy: 3.1145191098628713
Energy: 1.8708587643487757
Energy: 2.268120810533156
Energy: 1.7535491334446953
Energy: 2.2679455302481175
Energy: 1.870855892932212
Energy: 3.1145191098628713
Energy: 2.028355213811616
Energy: 3.1219040255906467
Energy: 1.8708971320069234
Energy: 2.6169214366160567
Energy: 2.514633794628101
Energy: 1.8711781132265315
Energy: 2.0283552136665963
Energy: 3.1219040255894424
Energy: 1.8708971320039138
Energy: 2.6169160379421896
Energy: 1.8754303948926228
Energy: 1.7529335155110517
Energy: 2.571549924021892
Energy: 1.752927940303732
Energy: 2.028547317981987
Energy: 1.8725177596436642
Energy: 1.8754303948920206
Energy: 1.7529335155116537
Energy: 2.5715499240224937
Energy: 1.7529279403031301
Energy: 2.571578282746428
Energy: 1.7529152055396182
Energy: 1.8756014051961696
Energy: 1.8725111875041291
Energy: 2.02848479820648
Energy: 1.7529033901404962
Energy: 2.5715782827452243
Energy: 1.752915205538414
Energy: 1.8756014051883714
Energy: 1.8725111875047311
Energy: 1.8709356910220507
Energy: 2.950864859426022
Energy: 2.0286680951720344
Energy: 1.8711952106830259
Energy: 2.514633374408238
Energy: 2.1816610051036736
Energy: 1.8709356910232546
Energy: 3.1219040255912485
Energy: 2.028668095175044
Energy: 1.8711952106842296
Energy: 1.8708587643457661
Energy: 2.2681208105349615
Energy: 1.7535491334446953
Energy: 2.26794553852093
Energy: 1.8708558929316104
Energy: 3.1145191098628713
Energy: 1.8708587643457661
Energy: 2.2681208105313497
Energy: 1.753549133445297
Energy: 2.2679455307427174
Energy: 2.5146337946293045
Energy: 1.8711781239566931
Energy: 2.028355213830277
Energy: 3.1219040255894424
Energy: 1.8708971320051175
Energy: 2.6169177648554274
Energy: 2.514633794628101
Energy: 1.871178121718981
Energy: 2.0283552143910666
Energy: 3.1219040255894424

minimum gb energy = 1.7529033901386901 eV
minimum distance =  2.47271473249465 Angstroms
sigma value = 15


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

Energy: 2.546488639708637
Energy: 2.465927379516826
Energy: 2.2374137960246814
Energy: 2.9520467464089437
Energy: 2.220936559311196
Energy: 2.4661030867806946
Energy: 2.546488639708637
Energy: 2.465927379519555
Energy: 2.2374137960246814
Energy: 2.952046746411673
Energy: 2.2921471729965046
Energy: 2.505550452346877
Energy: 2.2182437277137836
Energy: 2.2257677794206563
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Energy: 2.505550452346877
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Energy: 2.2257677794206563
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Energy: 2.115772975585914
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Energy: 2.239197094675557
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Energy: 2.185906388834262
Energy: 2.2162165560692744
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Energy: 2.239197094675557
Energy: 2.445760054863704
Energy: 2.2467607774768803
Energy: 2.453906264863583
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Energy: 2.4407805167290753
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Energy: 2.2149347855989894
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Energy: 2.4407805167290753
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Energy: 2.214934785601718
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Energy: 2.40383157702679
Energy: 2.5148046366090684
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Energy: 2.179078707312764
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Energy: 2.228512825389685
Energy: 2.651719718932893
Energy: 2.1688744901480406
Energy: 2.2268020321073116
Energy: 2.13585110671823
Energy: 2.2127160291524324
Energy: 2.226877628056158
Energy: 2.651719718935622
Energy: 2.1688744901480406
Energy: 2.2268020321073116
Energy: 2.13585110671823
Energy: 2.1260440724990746
Energy: 2.396056417805875
Energy: 2.1991347591231047
Energy: 2.228885612272268
Energy: 2.3026924440524588
Energy: 2.334618491575051
Energy: 2.1260440725018035
Energy: 2.396056417803146
Energy: 2.1991347591258337
Energy: 2.228885612272268
Energy: 2.126106137003526
Energy: 2.428569125361601
Energy: 2.2886580314657237
Energy: 2.235525879428135
Energy: 2.1836967485060566
Energy: 2.3261918513649973
Energy: 2.126106137003526
Energy: 2.4285691253643296
Energy: 2.2886580314657237
Energy: 2.2355258794254067
Energy: 2.6304775736956545
Energy: 2.113462380585779
Energy: 2.2268001512021662
Energy: 2.1334490059198674
Energy: 2.2440124320079966
Energy: 2.178722428691078
Energy: 2.6304775736956545
Energy: 2.113462380585779
Energy: 2.2268001512021662
Energy: 2.133449005922597
Energy: 2.4643320891038
Energy: 2.295400388279777
Energy: 2.209721455256026
Energy: 2.2078074647155397
Energy: 2.401026281535001
Energy: 2.18778190370773
Energy: 2.4643320891038
Energy: 2.295400388282506
Energy: 2.209721455256026
Energy: 2.207807464718268
Energy: 2.234996525631653
Energy: 2.359066086709328
Energy: 2.585598355586452
Energy: 2.217726779242833
Energy: 2.246733915893435
Energy: 2.441414649379683
Energy: 2.234996525631653
Energy: 2.359066086709328
Energy: 2.585598355586452
Energy: 2.217726779242833
Energy: 2.246061059622726
Energy: 2.361609117808804
Energy: 2.336304207396643
Energy: 2.5611647605604553
Energy: 2.1925300726604524
Energy: 2.4696460737504022
Energy: 2.2460610596199966
Energy: 2.361609117806075
Energy: 2.336304207396643
Energy: 2.5611647605604553
Energy: 2.2370687612587683
Energy: 2.5448408542322927
Energy: 2.2433478390687256
Energy: 2.2281714592300226
Energy: 2.202949205538653
Energy: 2.2095343251803343
Energy: 2.2370687612587683
Energy: 2.5448408542295637
Energy: 2.2433478390687256
Energy: 2.2281714592327515
Energy: 2.2282654786082383
Energy: 2.3619375760937755
Energy: 2.5020333310418543
Energy: 2.1795755902283327
Energy: 2.2538985217340413
Energy: 2.2136085148522864
Energy: 2.2282654786082383
Energy: 2.3619375760937755
Energy: 2.502033331039126
Energy: 2.1795755902283327
Energy: 2.5220446507022865
Energy: 2.115778596140288
Energy: 2.5017910728862565
Energy: 2.277236990821709
Energy: 2.2132230759284863
Energy: 2.1979162580832092
Energy: 2.5220446507022865
Energy: 2.1157785961376088
Energy: 2.5017910728862565
Energy: 2.277236990821709
Energy: 2.2744704253951546
Energy: 2.366420395028994
Energy: 2.2703660802391816
Energy: 2.160239697173213
Energy: 2.1626538208902435
Energy: 2.219072398307141
Energy: 2.2744704253951546
Energy: 2.3664203950317226
Energy: 2.2703660802391816
Energy: 2.1602396971704843
Energy: 2.1780917582753365
Energy: 2.5503770899203206
Energy: 2.3619728969264737
Energy: 2.2752740328706187
Energy: 2.2150525234696437
Energy: 2.247166468297215
Energy: 2.178091758272607
Energy: 2.5503770899203206
Energy: 2.361972896929202
Energy: 2.2752740328706187
Energy: 2.3210834175028743
Energy: 2.208600984965284
Energy: 2.5077647998759587
Energy: 2.387975037838464
Energy: 2.1942986085768617
Energy: 2.21487388017895
Energy: 2.3210834175028743
Energy: 2.208600984962555
Energy: 2.5077647998759587
Energy: 2.387975037838464
Energy: 2.5786799553193096
Energy: 2.265009620949108
Energy: 2.37263217328478
Energy: 2.2463349659809038
Energy: 2.6012451631164346
Energy: 2.2020413079452514
Energy: 2.5786799553193096
Energy: 2.2650096209463797
Energy: 2.37263217328478
Energy: 2.2463349659809038
Energy: 2.210178075707719
Energy: 2.2574944455861172
Energy: 2.309153096144805
Energy: 2.1676899851985665
Energy: 2.439678730291973
Energy: 2.1888511358312708
Energy: 2.210178075704991
Energy: 2.2574944455861172
Energy: 2.309153096144805
Energy: 2.1676899851985665
Energy: 2.224672367881164
Energy: 2.195963255172766
Energy: 2.254456873131215
Energy: 2.5488586582301163
Energy: 2.180679203173133
Energy: 2.2607542962842455
Energy: 2.224672367883893
Energy: 2.195963255172766
Energy: 2.2544568731257573
Energy: 2.548858658232845
Energy: 2.135842579612399
Energy: 2.1930374448810257
Energy: 2.2717095904902767
Energy: 2.5929730842957053
Energy: 2.182279987903024
Energy: 2.194337759380607
Energy: 2.1358425796096703
Energy: 2.1930374448810257
Energy: 2.2717095904902767
Energy: 2.5929730842957053
Energy: 2.237926334503339
Energy: 2.2813602882476594
Energy: 2.4096561792313906
Energy: 2.280398561706217
Energy: 2.2371469378393596
Energy: 2.1325736773478705
Energy: 2.237926334503339
Energy: 2.2813602882503883
Energy: 2.4096561792341196
Energy: 2.280398561706217

minimum gb energy = 2.103457532906922 eV
minimum distance =  2.41844362797151 Angstroms
sigma value = 437


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

Energy: 2.3361261942859497
Energy: 2.3636471282310945
Energy: 2.097065329734389
Energy: 3.0135299436112573
Energy: 2.0970822709184502
Energy: 2.36363392786152
Energy: 2.3361261942839615
Energy: 2.3636471282350713
Energy: 2.0970653297333945
Energy: 3.013529943612251
Energy: 2.271676554353167
Energy: 2.945095695779732
Energy: 2.1113197117346667
Energy: 2.2311910895469174
Energy: 2.505506235213716
Energy: 2.221836839796212
Energy: 2.271676554354161
Energy: 2.945095695778738
Energy: 2.1113197117316838
Energy: 2.231191089548906
Energy: 2.258888089870595
Energy: 2.0530029497854487
Energy: 2.3089587768665267
Energy: 2.0675277873105964
Energy: 2.5946190246945697
Energy: 2.301185709471081
Energy: 2.2588880898725834
Energy: 2.0530029497854487
Energy: 2.3089587768695092
Energy: 2.0675277873105964
Energy: 2.851975553889783
Energy: 2.0643171792250836
Energy: 2.111686042503232
Energy: 2.2105864119825798
Energy: 2.099294006391462
Energy: 2.202162112962362
Energy: 2.8519755538858518
Energy: 2.064317179230054
Energy: 2.1116860425012445
Energy: 2.210586411985562
Energy: 2.393154915797838
Energy: 2.385563970503525
Energy: 2.099091827497407
Energy: 2.2309293509852295
Energy: 2.229869058849396
Energy: 2.280785005567079
Energy: 2.393154915797838
Energy: 2.385563970504519
Energy: 2.099091827498401
Energy: 2.2309293509772767
Energy: 2.393303717873524
Energy: 2.402926163886266
Energy: 2.146665868331235
Energy: 2.2257797898349474
Energy: 2.1373194331275904
Energy: 2.263744205303631
Energy: 2.3933037178775005
Energy: 2.402926163886266
Energy: 2.1466658683302406
Energy: 2.2257797898369365
Energy: 2.832706289651742
Energy: 2.067207934969193
Energy: 2.340549709567103
Energy: 2.163687702699237
Energy: 2.557629920662987
Energy: 2.056916274984338
Energy: 2.8327062896487596
Energy: 2.067207934969193
Energy: 2.340549709569091
Energy: 2.1636877026972483
Energy: 2.257719835273427
Energy: 2.1692022379125366
Energy: 2.5520860060590134
Energy: 2.164564929570464
Energy: 2.3094493397240163
Energy: 2.064069605718101
Energy: 2.257719835273427
Energy: 2.1692022379125366
Energy: 2.5520860060560313
Energy: 2.16456492956947
Energy: 2.271016333575387
Energy: 2.207767962437852
Energy: 2.769913045789108
Energy: 2.5827694502594465
Energy: 2.0970482949825335
Energy: 2.511920176085189
Energy: 2.2710163335724043
Energy: 2.207767962435864
Energy: 2.769913045789108
Energy: 2.5827694502594465
Energy: 2.2349979100751676
Energy: 2.176784767127365
Energy: 2.11602968068812
Energy: 2.225426711495805
Energy: 2.09802699271643
Energy: 2.432475294861342
Energy: 2.2349979100701973
Energy: 2.176784767129354
Energy: 2.1160296806911023
Energy: 2.225426711498788
Energy: 2.536147843561794
Energy: 2.1642528399954837
Energy: 2.0991609762769596
Energy: 2.210185029784963
Energy: 2.3481137082373826
Energy: 2.0689277499295113
Energy: 2.5361478435588114
Energy: 2.1642528399934955
Energy: 2.0991609762769596
Energy: 2.2101850297799928
Energy: 2.2088073423281362
Energy: 2.1700734202883933
Energy: 2.6161262315196137
Energy: 2.0752706470763247
Energy: 2.6168825620870257
Energy: 2.1702637322818616
Energy: 2.208807342329131
Energy: 2.1700734202873995
Energy: 2.6161262315156373
Energy: 2.0752706470773186
Energy: 2.5361095444054733
Energy: 2.069406583769274
Energy: 2.348113708235394
Energy: 2.2150308119963795
Energy: 2.09907723831587
Energy: 2.1645239036318182
Energy: 2.5361095444094497
Energy: 2.069406583769274
Energy: 2.3481137082383765
Energy: 2.215030811999362
Energy: 2.376940948206803
Energy: 2.433435597656338
Energy: 2.098002802619967
Energy: 2.230577923064791
Energy: 2.1466936144695783
Energy: 2.176768409714553
Energy: 2.376940948205809
Energy: 2.43343559765435
Energy: 2.0980028026229496
Energy: 2.2305779230618086

minimum gb energy = 2.0530029497854487 eV
minimum distance =  2.41543215035684 Angstroms
sigma value = 33