Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Fe__MO_331285495617_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.882650256156921
cohesive_energy=3.880282732726341
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: 0.014459920715633016
Energy: 0.10943370129477395
Energy: 0.014459920715633016
Energy: 0.10943538289852717
Energy: 0.014459920715633016
Energy: 0.10943276452423399
Energy: 0.014459920715633016
Energy: 0.014878050541236212
Energy: 0.7873400996394332
Energy: 0.014878050541616533
Energy: 0.7873400996386504
Energy: 0.014878050541236212
Energy: 0.7873400996386504
Energy: 0.014878050541236212
Energy: 0.3941708423529861
Energy: 0.6797564994508686
Energy: 0.39417372549429613
Energy: 0.6797556829021283
Energy: 0.3941715744652502
Energy: 0.6797574691671397
Energy: 0.39417293802053127
Energy: 0.01487805054083352
Energy: 0.7873400996386504
Energy: 0.014878050541236212
Energy: 0.7873400996382477
Energy: 0.014878050541236212
Energy: 0.7873400996394332
Energy: 0.014878050541236212
Energy: 0.014459920715633016
Energy: 0.1094344867058315
Energy: 0.014459920715633016
Energy: 0.1094390311332471
Energy: 0.014459920715633016
Energy: 0.10943815302783713
Energy: 0.014459920715633016
Energy: 0.014878050541236212
Energy: 0.7873400996374645
Energy: 0.014878050541236212
Energy: 0.7873400996386504
Energy: 0.014878050541236212
Energy: 0.7873400996382477
Energy: 0.01487805054083352

minimum gb energy = 0.014459920715633016 eV
minimum distance =  2.49379313846089 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.1337298461450875
Energy: 1.0836394762860246
Energy: 1.133820628526462
Energy: 1.083639001616563
Energy: 1.1338256565672664
Energy: 1.0836389423322028
Energy: 1.1337304879213377
Energy: 0.9495798191729896
Energy: 0.9225463267515648
Energy: 0.9496204749977775
Energy: 0.921658528775216
Energy: 0.9495690380391187
Energy: 0.9216748108662406
Energy: 0.9496798452346837
Energy: 0.922426377528608
Energy: 0.9225435184173473
Energy: 0.9224510190504395
Energy: 0.9225712998042813
Energy: 0.922061231965298
Energy: 0.9225531995092145
Energy: 0.9224301396596808
Energy: 0.8860404776919796
Energy: 0.9013999121787435
Energy: 0.8860449551698958
Energy: 0.901392341884638
Energy: 0.8860310070958327
Energy: 0.9013884918612296
Energy: 0.8860464784511756
Energy: 0.9010128312238435
Energy: 0.8868289730942621
Energy: 0.90101169870472
Energy: 0.8865856492071802
Energy: 0.9010314669926733
Energy: 0.8865324017991234
Energy: 0.9010332461544656
Energy: 0.7031431230424321
Energy: 0.9668277958538073
Energy: 0.7037146891979879
Energy: 0.9668482816239211
Energy: 0.7023489996695206
Energy: 0.9668288043333484
Energy: 0.7023004046124446
Energy: 0.8553784004965183
Energy: 0.8399784761021978
Energy: 0.8547847238457166
Energy: 0.8401372250672314
Energy: 0.848475558691309
Energy: 0.8404928535817031
Energy: 0.8535376397853549
Energy: 0.6880954156409244
Energy: 0.9278427505905497
Energy: 0.6833991822185379
Energy: 0.9278361887302868
Energy: 0.6874863081435327
Energy: 0.9278396474467878
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Energy: 0.9367923711151238
Energy: 0.9693436844935448
Energy: 0.9367894995049564
Energy: 0.9693501223248082
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Energy: 0.903959270725556
Energy: 0.7430423653123247
Energy: 0.9039160268539257
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Energy: 0.9138624173490656
Energy: 0.9325100091447974
Energy: 0.9681674707557721
Energy: 0.9324274546120092
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Energy: 0.8840679808486112
Energy: 0.9067270656605523
Energy: 0.8840675266972428
Energy: 0.9070820994635176
Energy: 0.8840732104432523
Energy: 0.9067218326380952
Energy: 0.8840859069235971
Energy: 0.8885352493497265
Energy: 0.8541792027896657
Energy: 0.8885362166780701
Energy: 0.8542253900351119
Energy: 0.8885366164186249
Energy: 0.8542177656860281
Energy: 0.8885390089752161
Energy: 0.9491300256163531
Energy: 0.9047871295377881
Energy: 0.9491337909944161
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Energy: 0.9491382827743957
Energy: 0.9047858115458925
Energy: 0.949131295577979
Energy: 1.0077611227532264
Energy: 0.7535831260097354
Energy: 1.0077128100651516
Energy: 0.7522611406755599
Energy: 1.0080350754953689
Energy: 0.7545619477160601
Energy: 1.0080311756241636
Energy: 0.9364718530819489
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Energy: 0.7420127659240608
Energy: 0.9087565831411545
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Energy: 0.9087912297120948
Energy: 0.7420580205425483
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Energy: 0.9498764958359193
Energy: 0.7412498728463555
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Energy: 0.7404883045439349
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Energy: 0.7628272779298647
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Energy: 0.9525947563964627
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Energy: 0.9526208483209285
Energy: 0.8414668448910274
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Energy: 0.8299207382533611
Energy: 0.9525646810974253
Energy: 0.9592214087908395
Energy: 0.9077320897286808
Energy: 0.9591829645945201
Energy: 0.9076949899796417
Energy: 0.9592135884870425
Energy: 0.9099327015278285
Energy: 0.9589315746910848
Energy: 0.7481003052783983
Energy: 0.8909762370794009
Energy: 0.7864816963411525
Energy: 0.8909790548985476
Energy: 0.7844791414563803
Energy: 0.891002909215648
Energy: 0.7842817330796042
Energy: 0.9261624487576801
Energy: 0.917296107544053
Energy: 0.9261165439283329
Energy: 0.9172894373627465
Energy: 0.92614349461254
Energy: 0.9172633611679268
Energy: 0.9261238575894549
Energy: 0.8499294895080639
Energy: 0.9251849315878974
Energy: 0.8499462812003071
Energy: 0.9252379241598139
Energy: 0.849976932188079
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Energy: 0.8499670606277099
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Energy: 0.9233927065950491
Energy: 0.9435458928945054
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Energy: 0.9725533602173705
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Energy: 0.5699247611142721
Energy: 0.9132678861900904
Energy: 0.8721753892595057
Energy: 0.9328432569338686
Energy: 0.8722494882975808
Energy: 0.9328345371692507
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Energy: 0.8721696212071499
Energy: 0.8898656838687835
Energy: 0.8726207399821926
Energy: 0.8898686686856109
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Energy: 0.8726350878669983
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Energy: 0.8843276898711939
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Energy: 0.9664367229172963
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Energy: 0.6516379055761149
Energy: 0.8814203128430674
Energy: 0.6517891184661675
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Energy: 0.6519088733917975
Energy: 0.8816950608042569
Energy: 0.6515229572717751
Energy: 0.9587063406212832
Energy: 0.9244626750737451
Energy: 0.9587129132029552
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Energy: 0.9587118254642248
Energy: 0.9244618366821012
Energy: 0.9587084921970902
Energy: 0.8737662512363685
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Energy: 0.873843654563424
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Energy: 0.8738836019301045
Energy: 0.8988372100420783
Energy: 0.8738344262188696
Energy: 0.8640153046865686
Energy: 0.8590578285411758
Energy: 0.8633734400498354
Energy: 0.859062153796595
Energy: 0.8649526127584969
Energy: 0.859189917193818
Energy: 0.8643753036797114
Energy: 0.9097693591339542
Energy: 0.8844163588578704
Energy: 0.9099018017922965
Energy: 0.884662739025437
Energy: 0.9097456022886203
Energy: 0.8846819815979157
Energy: 0.9098328148225463
Energy: 0.897636831660064
Energy: 0.9215231221965396
Energy: 0.897573346956278
Energy: 0.9215328580035409
Energy: 0.8977144001129158
Energy: 0.9215327531583732
Energy: 0.8975991493123886
Energy: 0.9639505780642091
Energy: 0.69726800999276
Energy: 0.965677784361209
Energy: 0.6987675217999555
Energy: 0.9639477577851776
Energy: 0.6978646972618278
Energy: 0.9656703745361689
Energy: 0.8887799570522622
Energy: 0.8832381497780999
Energy: 0.8887519444019011
Energy: 0.8832622156962966
Energy: 0.8887379745937304
Energy: 0.8832319521135772
Energy: 0.888736886196768
Energy: 0.9172727310869049
Energy: 0.8724374681085657
Energy: 0.9173001563390751
Energy: 0.8724124269789013
Energy: 0.9172712582212628
Energy: 0.8723919745874118
Energy: 0.9172735265570088
Energy: 0.9590543864724744
Energy: 0.7282408560400745
Energy: 0.9590311258215467
Energy: 0.727720916828938
Energy: 0.9595090273599208
Energy: 0.7274327204802792
Energy: 0.959038718165188

minimum gb energy = 0.5694234426482174 eV
minimum distance =  2.40597605549928 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.8433360650691578
Energy: 1.0164927854419308
Energy: 0.8432309188793522
Energy: 1.0165832369215204
Energy: 0.8426029448710985
Energy: 1.0160321014794287
Energy: 0.8437986103126317
Energy: 0.8851832482896224
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Energy: 0.9257664954414493
Energy: 0.8898137577893251
Energy: 0.9257664954430874
Energy: 0.8898137577915094
Energy: 0.8457983462993857
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Energy: 0.845821005417039
Energy: 1.1048935997449933
Energy: 0.845801718861434
Energy: 1.1048935997449933
Energy: 0.8457634628163889
Energy: 0.7588169699902971
Energy: 1.0984887612108383
Energy: 0.758516179376517
Energy: 1.0984887612124763
Energy: 0.7550056858839956
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Energy: 1.004571791362335
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Energy: 1.100359745158324
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Energy: 1.0163102710411809
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Energy: 0.8851704240376775
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Energy: 1.1048935997471774
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Energy: 0.7581447746840692
Energy: 1.0984887612092
Energy: 0.759253834478386
Energy: 1.098488761213022
Energy: 0.7587609448227935
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Energy: 0.7587250313968211
Energy: 0.8841341783377925
Energy: 1.004571417556024
Energy: 0.8817527687599527
Energy: 1.0045713634749234
Energy: 0.8797743595109265
Energy: 1.0045712721386981
Energy: 0.8795360104417044
Energy: 0.9871623791899451
Energy: 1.0045377236111797
Energy: 0.987168384068892
Energy: 1.0045377123396735
Energy: 0.9871708985141635
Energy: 1.0045377533787552
Energy: 0.9871499543818988
Energy: 1.0434716244031996
Energy: 1.1003326106397473
Energy: 1.0434716243988313
Energy: 1.100332610638655
Energy: 1.0434716243977393
Energy: 1.100332610636471
Energy: 1.0434716244010156
Energy: 1.0498758816848681
Energy: 1.1002639159034795
Energy: 1.0498758816865061
Energy: 1.1002639159023873
Energy: 1.0498758816854141
Energy: 1.1002639159002032
Energy: 1.0498758816875982
Energy: 0.9155617579052611
Energy: 0.8561679857602065
Energy: 0.915561757906353
Energy: 0.9054023210136203
Energy: 0.9155617579096292
Energy: 0.8561380650859536
Energy: 0.915561757906899
Energy: 0.9213855323883772
Energy: 0.33642598346254177
Energy: 0.921385532384555
Energy: 0.33626361418608414
Energy: 0.9213855323889234
Energy: 0.336497411311032
Energy: 0.9213855323894693
Energy: 0.894028920178623
Energy: 0.8647355914882141
Energy: 0.8939945897136284
Energy: 0.8642716500867971
Energy: 0.8940486819770461
Energy: 0.8653570095080765
Energy: 0.894002789354134
Energy: 1.1027413384583733
Energy: 0.7773971729765337
Energy: 1.1027413384638334
Energy: 0.7776149996837787
Energy: 1.1027413384605573
Energy: 0.7784087535655857
Energy: 1.1027413384611033
Energy: 0.9139653954741498
Energy: 1.0271539272240857
Energy: 0.913965395477426
Energy: 1.0271539272186256
Energy: 0.9139653954741498
Energy: 1.0271539272213555
Energy: 0.913965395476334
Energy: 0.9373997457538714
Energy: 0.9756246603638372
Energy: 0.9373997457555094
Energy: 0.9756246603665177
Energy: 0.9373997457527793
Energy: 0.9756246603659718
Energy: 0.9373997457522333

minimum gb energy = 0.33609522529285435 eV
minimum distance =  2.2492879952002 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.874372241372552
Energy: 0.831624119091485
Energy: 0.8743380641896917
Energy: 0.8315918035700816
Energy: 0.8742128002577889
Energy: 0.8316164388807952
Energy: 0.8767242463615945
Energy: 0.6497729507639702
Energy: 0.7678919004954593
Energy: 0.6498301864745546
Energy: 0.7678756502656561
Energy: 0.6496991277789658
Energy: 0.7680124097924906
Energy: 0.6498443225033759
Energy: 0.8850792126904204
Energy: 0.8072622236478619
Energy: 0.8850792126904204
Energy: 0.807262223646601
Energy: 0.88507921268979
Energy: 0.8072622236459706
Energy: 0.8850792126916814
Energy: 0.9854378184215093
Energy: 0.8725680247360025
Energy: 0.985437818420879
Energy: 0.8721937123718067
Energy: 0.98543781842214
Energy: 0.8725615677702824
Energy: 0.9854378184215093
Energy: 1.034928049378198
Energy: 0.8745236253160806
Energy: 1.0349280493763064
Energy: 0.8745546774603837
Energy: 1.034928049375676
Energy: 0.8745476884221308
Energy: 1.034928049379459
Energy: 0.6297064215197324
Energy: 0.8130931607031091
Energy: 0.6296807543177784
Energy: 0.8130931607031091
Energy: 0.6295588786291413
Energy: 0.8130931607018481
Energy: 0.6297040572401943
Energy: 0.46957392209065674
Energy: 0.9466772487417704
Energy: 0.4720089124906613
Energy: 0.946677248742401
Energy: 0.37449179986635783
Energy: 0.946677248742401
Energy: 0.47269011802402283
Energy: 0.9024319778839672
Energy: 0.8440683042000787
Energy: 0.9024217304931351
Energy: 0.8474363841101096
Energy: 0.9024452215154627
Energy: 0.8473689198899274
Energy: 0.9025002040366072
Energy: 0.865240651025363
Energy: 0.8493444974995638
Energy: 0.8654654781982193
Energy: 0.8493369642558857
Energy: 0.8654983713668707
Energy: 0.8502845342487672
Energy: 0.8654086953697274
Energy: 0.8833656728107985
Energy: 0.8601501289266076
Energy: 0.8833656728095375
Energy: 0.8601501289272379
Energy: 0.8833656728107985
Energy: 0.8601501289272379
Energy: 0.8833656728120596
Energy: 0.4947664356428368
Energy: 0.88189487021551
Energy: 0.4947664356422063
Energy: 0.88189487021551
Energy: 0.4947664356434673
Energy: 0.8818948702148798
Energy: 0.4947664356428368
Energy: 0.8710450551272082
Energy: 0.8427935572902264
Energy: 0.8709996833519876
Energy: 0.8430318559473192
Energy: 0.8710386980961065
Energy: 0.8428263672961982
Energy: 0.8707289769142448
Energy: 0.8339101600755859
Energy: 0.6931239234205232
Energy: 0.8341070379124965
Energy: 0.693145887929708
Energy: 0.8331602015503689
Energy: 0.6933945819309696
Energy: 0.8332677230300258
Energy: 0.7889185286408059
Energy: 0.6918515030736232
Energy: 0.7888986512490457
Energy: 0.6918143120916462
Energy: 0.7888994196941834
Energy: 0.6918167056869267
Energy: 0.7888868084712648
Energy: 0.6365335771245716
Energy: 0.8047849396234709
Energy: 0.636524619653059
Energy: 0.8047849396222098
Energy: 0.6365961259581071
Energy: 0.8047849396228404
Energy: 0.636822790140858
Energy: 0.8804314844157604
Energy: 0.9211788088288307
Energy: 0.8804330353510219
Energy: 0.9211604569002939
Energy: 0.8804244915155188
Energy: 0.9211418468390158
Energy: 0.8804395472318829
Energy: 0.796609256275155
Energy: 0.9496647553980008
Energy: 0.7957515889051266
Energy: 0.9496647553986313
Energy: 0.7967168358348994
Energy: 0.9496647553980008
Energy: 0.798696609383436
Energy: 0.8021390015307254
Energy: 0.8956274205667568
Energy: 0.8021390015300948
Energy: 0.8956274205654959
Energy: 0.8021390015300948
Energy: 0.8956274205667568
Energy: 0.8021390015300948
Energy: 0.8467770225928747
Energy: 0.9697637785885636
Energy: 0.8195900558639903
Energy: 0.9697637785898247
Energy: 0.8196858849612858
Energy: 0.9697637785898247
Energy: 0.7940438443720554
Energy: 0.8677000988853119
Energy: 0.8725888507185315
Energy: 0.8682739479081504
Energy: 0.8725888507185315
Energy: 0.8681707018956079
Energy: 0.872588850720423
Energy: 0.8678490202632878
Energy: 0.7200757356162152
Energy: 0.7041382676775243
Energy: 0.7199497247585186
Energy: 0.7041748830100656
Energy: 0.720092244419247
Energy: 0.7051113785247454
Energy: 0.7202759102009908
Energy: 0.7394295698552324
Energy: 0.476495041019068
Energy: 0.739331750475727
Energy: 0.4824646122831226
Energy: 0.736978889912302
Energy: 0.48285251425168385
Energy: 0.7393684949836574
Energy: 0.8930827362645656
Energy: 0.91127250822709
Energy: 0.893256171778459
Energy: 0.9113123892214647
Energy: 0.8931883095655035
Energy: 0.9112687132606299
Energy: 0.8932960000218416
Energy: 0.822060614189706
Energy: 0.27154623448304427
Energy: 0.8224746085373743
Energy: 0.27156976199492616
Energy: 0.8221082526366059
Energy: 0.27125483034664
Energy: 0.8222014445726586
Energy: 0.9135375893583417
Energy: 0.8325894829505804
Energy: 0.9135375893583417
Energy: 0.8325894829499499
Energy: 0.9135375893583417
Energy: 0.8325894829499499
Energy: 0.9135375893577111
Energy: 0.9609583906239845
Energy: 0.9063360300541378
Energy: 0.9609583906252455
Energy: 0.9063360300541378
Energy: 0.9609583906239845
Energy: 0.9063360300541378
Energy: 0.9609583906258758
Energy: 0.9291236820519939
Energy: 0.8709806069308194
Energy: 0.9291236820532263
Energy: 0.8709478266527914
Energy: 0.9291236820513635
Energy: 0.8709343167196768
Energy: 0.8105366572186185
Energy: 0.8066177482208134
Energy: 0.8253892406271861
Energy: 0.8067348241857467
Energy: 0.8253892406278166
Energy: 0.8067702460592101
Energy: 0.8253892406271861
Energy: 0.8067717246041027
Energy: 0.7884654091339237
Energy: 0.6936420135965382
Energy: 0.7884773156341007
Energy: 0.6934918933062386
Energy: 0.788483045953759
Energy: 0.6935911084296897
Energy: 0.7884329596934512
Energy: 0.8220860843432339
Energy: 0.2709474903631033
Energy: 0.8221287453171134
Energy: 0.27110238679062404
Energy: 0.824590324824356
Energy: 0.2705169619508074
Energy: 0.8231621743373709
Energy: 0.9024308494537304
Energy: 0.9105209692037717
Energy: 0.9023500615387484
Energy: 0.9105296174282614
Energy: 0.9022869129802591
Energy: 0.9105143372724036
Energy: 0.9024079140966662
Energy: 0.78167850081455
Energy: 0.5995741040033956
Energy: 0.78167850081455
Energy: 0.5995741040015041
Energy: 0.7816785008151806
Energy: 0.5995741040046566
Energy: 0.7816785008139194
Energy: 0.8248324039326873
Energy: 0.6615067368927956
Energy: 0.8248324039307957
Energy: 0.6615067368915347
Energy: 0.8248324039320567
Energy: 0.6615067368927956
Energy: 0.8248324039326873
Energy: 0.8688660674034842
Energy: 0.9275938783108775
Energy: 0.8678719503637062
Energy: 0.9275938783121385
Energy: 0.8683837889699081
Energy: 0.9275938783152908
Energy: 0.8679508327214412
Energy: 0.7769306396834623
Energy: 1.0356988893750083
Energy: 0.7769306396853538
Energy: 1.0356988893743777
Energy: 0.7769306396847233
Energy: 1.0356988893756387
Energy: 0.7769306396834623
Energy: 0.7985502012291881
Energy: 0.696543136329022
Energy: 0.7981889237469152
Energy: 0.69653392461447
Energy: 0.7981649061185125
Energy: 0.696566469138152
Energy: 0.7985612526459097

minimum gb energy = 0.2705169619508074 eV
minimum distance =  2.38468982527191 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.7138163514354303
Energy: 0.4442692991510872
Energy: 0.7118376414381252
Energy: 0.4857005332034317
Energy: 0.711184310211989
Energy: 0.44423613418465524
Energy: 0.7142567859490622
Energy: 0.48997963497023755
Energy: 0.3735558438887714
Energy: 0.4894444594423448
Energy: 0.37361067950632826
Energy: 0.4802723317926209
Energy: 0.37403375653854254
Energy: 0.49029270102714695
Energy: 0.8195292452009433
Energy: 0.4812307371714164
Energy: 0.8195383518350962
Energy: 0.4811628201581706
Energy: 0.819521924615672
Energy: 0.48104034833966497
Energy: 0.8195238109130695
Energy: 0.45616910934189725
Energy: 0.34800593204944025
Energy: 0.464738420929538
Energy: 0.34054739195752365
Energy: 0.45518715183132186
Energy: 0.3518605172689741
Energy: 0.46070082898574827
Energy: 0.6784101307389836
Energy: 0.5563410894778165
Energy: 0.6782321343289122
Energy: 0.5565638620802971
Energy: 0.6780928988323047
Energy: 0.5569241153044091
Energy: 0.6781426326087427
Energy: 0.4782928563662
Energy: 0.35559724267892184
Energy: 0.4914556194295786
Energy: 0.3555790022805955
Energy: 0.504838692425136
Energy: 0.3553199788551585
Energy: 0.5153912909558153
Energy: 0.772731359745477
Energy: 0.4584535773955568
Energy: 0.8707468363394775
Energy: 0.45873715843370866
Energy: 0.8152317170419061
Energy: 0.4586094245057981
Energy: 0.6544729724972999
Energy: 0.5135795396564786
Energy: 0.4463285059459415
Energy: 0.516414433680935
Energy: 0.45565234932718285
Energy: 0.5146677148914133
Energy: 0.45564219296851793
Energy: 0.5150633813778616
Energy: 0.4709701704653076
Energy: 0.5597985193433275
Energy: 0.4751941728697153
Energy: 0.5599177455375363
Energy: 0.47514524342940134
Energy: 0.5598298094717511
Energy: 0.4715744660962951
Energy: 0.628708497504473
Energy: 0.5019603528826717
Energy: 0.6283615768071883
Energy: 0.5019152310057694
Energy: 0.6287091673813037
Energy: 0.5020549054728743
Energy: 0.6289088749352008
Energy: 0.5215414034152729
Energy: 0.362817086575227
Energy: 0.7353693180019832
Energy: 0.3632442846566014
Energy: 0.5418179199366954
Energy: 0.36352619388404606
Energy: 0.5249880606127002
Energy: 0.6133558542371662
Energy: 0.34569360860363924
Energy: 0.6203147826605131
Energy: 0.3481647165099241
Energy: 0.6133382305668529
Energy: 0.35943811611601983
Energy: 0.6204271261124225
Energy: 0.4888064867782555
Energy: 0.5544216916026632
Energy: 0.4882554570509287
Energy: 0.5543285762075942
Energy: 0.4883958046489138
Energy: 0.5543926493625416
Energy: 0.48803920008103513
Energy: 0.6283394306951143
Energy: 0.34725041573302773
Energy: 0.6280136375459034
Energy: 0.34505602613465325
Energy: 0.6285634622116321
Energy: 0.3448488686288629
Energy: 0.6283347340220953
Energy: 0.027457994198409413
Energy: 0.6796872662018646
Energy: 0.04674962699799702
Energy: 0.6794461449413802
Energy: 0.6215485506291052
Energy: 0.6790384764552402
Energy: 0.18444137463041588
Energy: 0.6290476258037944
Energy: 0.34349277519848975
Energy: 0.6288928751815958
Energy: 0.344778852535535
Energy: 0.6289304075569068
Energy: 0.3483800043108503
Energy: 0.6289037823117459
Energy: 0.4806336858573305
Energy: 0.5542586344912166
Energy: 0.4809243350368406
Energy: 0.554442110947843
Energy: 0.475143934587855
Energy: 0.5544082620806589
Energy: 0.46773569664372466
Energy: 0.6157750017202372
Energy: 0.3511745967226557
Energy: 0.6151880743956035
Energy: 0.3593047853150359
Energy: 0.6220871388313753
Energy: 0.3469480129649136
Energy: 0.6218311795954761
Energy: 0.46105021868809026
Energy: 0.36534640348714625
Energy: 0.4623022268021137
Energy: 0.3662131101407512
Energy: 0.46036482311819754
Energy: 0.36549430648225123
Energy: 0.4590745037760498
Energy: 0.6296830845878064
Energy: 0.5020813002557649
Energy: 0.6293167654953222
Energy: 0.5017286329839192
Energy: 0.6286379824438773
Energy: 0.5022551189773857
Energy: 0.6287419121709896
Energy: 0.4684588813831978
Energy: 0.5614064806252956
Energy: 0.46748467612822414
Energy: 0.5612957895410069
Energy: 0.478331784369216
Energy: 0.5612956936287092
Energy: 0.46569766006971064
Energy: 0.5220463206545313
Energy: 0.4552248680110697
Energy: 0.5126856202556678
Energy: 0.4548823084072555
Energy: 0.5212073062388964
Energy: 0.4549072492533062
Energy: 0.512298012726475
Energy: 0.5328333720287161
Energy: 0.45874011881654425
Energy: 0.5392828578258667
Energy: 0.45860981331821465
Energy: 0.531472181298004
Energy: 0.45874493002974387
Energy: 0.5501785974779894
Energy: 0.5171437634727655
Energy: 0.3553134820505856
Energy: 0.5172233825233964
Energy: 0.3552656895537759
Energy: 0.5150622223137017
Energy: 0.3558323946058454
Energy: 0.5063042629060571
Energy: 0.3899477557445008
Energy: 0.5565709124290328
Energy: 0.39342522114838574
Energy: 0.5565462235791117
Energy: 0.3878332276472064
Energy: 0.5564825807036226
Energy: 0.3950892816335557
Energy: 0.4606264204926268
Energy: 0.34537557408567765
Energy: 0.467458381631021
Energy: 0.35974403384496834
Energy: 0.46761638692261526
Energy: 0.3521750106161699
Energy: 0.46737164210315146
Energy: 0.8197614071583742
Energy: 0.4811393523186395
Energy: 0.8197526335117052
Energy: 0.48181365008076055
Energy: 0.8197589377814325
Energy: 0.48127715639327057
Energy: 0.8197623237586908
Energy: 0.48721328064023756
Energy: 0.3737488702937076
Energy: 0.4871711681342782
Energy: 0.3736335622157241
Energy: 0.48702792425966257
Energy: 0.373212608440047
Energy: 0.48627327140739895
Energy: 0.7146439021480995
Energy: 0.46336499810793674
Energy: 0.7139439670752942
Energy: 0.46011077830556846
Energy: 0.7138815021083157
Energy: 0.4461758706166397
Energy: 0.7120572208347515
Energy: 0.4891935859068604
Energy: 0.37365134124764526
Energy: 0.48915470797341026
Energy: 0.37378007371481414
Energy: 0.4783633114486618
Energy: 0.37427446472164033
Energy: 0.48073426900584454

minimum gb energy = 0.027457994198409413 eV
minimum distance =  2.3736495892126 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.7418683764282732
Energy: 0.5292260230012943
Energy: 0.7384343051808384
Energy: 0.5288881357294493
Energy: 0.7402429439721424
Energy: 0.46355066659225314
Energy: 0.7403019065380054
Energy: 0.6187194122769102
Energy: 0.5774566868948434
Energy: 0.6186643335270315
Energy: 0.5778942960045007
Energy: 0.618733153816815
Energy: 0.5788713705858599
Energy: 0.6187464316504778
Energy: 0.5636736347068131
Energy: 0.5930450821598137
Energy: 0.5624552931792872
Energy: 0.593128441719542
Energy: 0.5637232218323917
Energy: 0.5932061315611766
Energy: 0.5455845475970033
Energy: 0.5454026083580605
Energy: 0.5440254688855355
Energy: 0.5453879385181265
Energy: 0.5374430042637184
Energy: 0.5453142591022835
Energy: 0.5438440800335977
Energy: 0.5484524523968373
Energy: 0.6026020275620658
Energy: 0.603425550446058
Energy: 0.6026418800567112
Energy: 0.6034837798390934
Energy: 0.6021104628525665
Energy: 0.603306131391974
Energy: 0.6022255776943602
Energy: 0.5597904745158367
Energy: 0.5603726355644402
Energy: 0.5597176507418459
Energy: 0.5560860729507417
Energy: 0.5599222646009664
Energy: 0.560398906837352
Energy: 0.5598649357127179
Energy: 0.545730341209384
Energy: 0.5933352572031773
Energy: 0.5457236359453042
Energy: 0.5928169629726232
Energy: 0.5457342704345811
Energy: 0.5927165285907784
Energy: 0.5422550572218566
Energy: 0.5696047147135495
Energy: 0.5768538681472687
Energy: 0.5695945942939835
Energy: 0.5768820491466111
Energy: 0.5695739183727021
Energy: 0.5768902148314403
Energy: 0.5695245627508067
Energy: 0.18049216585588665
Energy: 0.5884907709411282
Energy: 0.18272125284941537
Energy: 0.588507430869259
Energy: 0.18310343833327106
Energy: 0.5880955908514369
Energy: 0.1817376232330137
Energy: 0.5457488084088482
Energy: 0.3272727262659854
Energy: 0.5457013987047884
Energy: 0.3330261422205777
Energy: 0.5453699177124967
Energy: 0.3334276745902962
Energy: 0.5454610503767255
Energy: 0.5412291488858468
Energy: 0.4370758537905837
Energy: 0.5413009887305636
Energy: 0.4365745072964991
Energy: 0.5448423559187426
Energy: 0.43719374728973603
Energy: 0.5411911249152517
Energy: 0.5735667732804817
Energy: 0.5974635721119496
Energy: 0.5735956452668264
Energy: 0.5974709713670373
Energy: 0.5735302848410587
Energy: 0.5975842319491312
Energy: 0.5735391129863346
Energy: 0.5575964574794021
Energy: 0.5738661123231322
Energy: 0.5575434312359924
Energy: 0.5738066531056125
Energy: 0.5575391348519484
Energy: 0.5740119964834581
Energy: 0.5575776855889837
Energy: 0.6074094100237604
Energy: 0.6859318569380989
Energy: 0.607442311656161
Energy: 0.6859318573416946
Energy: 0.6074844988765545
Energy: 0.6859318573732901
Energy: 0.6073192594026076
Energy: 0.6320425564888027
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Energy: 0.3939839862645346
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Energy: 0.6593011356265938
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Energy: 0.5992702417065925
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Energy: 0.5304410250025459
Energy: 0.5029128610336474
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Energy: 0.6159299943404924
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Energy: 0.5579983133991789
Energy: 0.5407839728514271
Energy: 0.557954365853425
Energy: 0.5409039970681108
Energy: 0.5579938064246673
Energy: 0.5408473654141095
Energy: 0.5446559627932699
Energy: 0.6189961219474778
Energy: 0.5445475744104816
Energy: 0.6187993645893626
Energy: 0.5446393809001171
Energy: 0.6189820986361309
Energy: 0.5445278380584587
Energy: 0.5162038033592717
Energy: 0.5771571005537075
Energy: 0.5163330094321009
Energy: 0.5772248021267253
Energy: 0.5161836901836396
Energy: 0.5771328394985024
Energy: 0.5161884706047508
Energy: 0.5395686174088213
Energy: 0.5989860680625658
Energy: 0.5395159839244934
Energy: 0.6003251993164319
Energy: 0.5395604792916819
Energy: 0.5986145661511345
Energy: 0.5395729972498309
Energy: 0.5391116258765303
Energy: 0.4548501011934309
Energy: 0.5390535392915156
Energy: 0.4548501011871077
Energy: 0.5391008095003288
Energy: 0.454850101188011
Energy: 0.5391290395033886

minimum gb energy = 0.18049216585588665 eV
minimum distance =  2.38330628415597 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

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Energy: 0.2137226142415833
Energy: 0.26471805577244056
Energy: 0.2143329727372169
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Energy: 0.5900519995082844
Energy: 0.15806066016411632
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Energy: 0.5566079622221218
Energy: 0.27932749162479553
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Energy: -0.3579519794554199
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Energy: 3.968335467514084e-05
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Energy: -0.0391752942394342
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Energy: 0.038020867298661644
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Energy: 0.03785376653852716
Energy: 0.6158733018882195
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Energy: -0.06245051974163037
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Energy: -0.062170346231475306
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Energy: -0.06956914573628721
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Energy: -0.3708581110480751
Energy: 0.6113373733443241
Energy: -0.37103101713308567
Energy: 0.6113334450908926
Energy: -0.3712052565118676
Energy: 0.6112985053723976
Energy: 0.5586407975685377
Energy: 0.5944670872777599
Energy: 0.5584816564902922
Energy: 0.5944603187373905
Energy: 0.5584201927853247
Energy: 0.5942098041253189
Energy: 0.5583946684886161
Energy: 0.5699602806585508
Energy: 0.14410689204289479
Energy: 0.569614734159851
Energy: 0.1447453078179642
Energy: 0.5696172406371388
Energy: 0.14387460385318998
Energy: 0.5699550920619972
Energy: -0.05447648873290781
Energy: 0.15912808949062388
Energy: -0.05457024817443625
Energy: 0.1592088025326876
Energy: -0.054578383809631315
Energy: 0.15892240584214307
Energy: -0.054150583436882574
Energy: 0.6275246130333001
Energy: -0.04451592492948747
Energy: 0.627119522865808
Energy: -0.044253829578465916
Energy: 0.6278001797610785
Energy: -0.04485653709485481
Energy: 0.6272440459840565

minimum gb energy = -0.5217907102985191 eV
minimum distance =  2.41847559339517 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.25984038284032496
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 2.018545202281552
Energy: 0.9201214865135858
Energy: 2.881810906744615
Energy: 0.9201214865124491
Energy: 2.1123244146827154
Energy: 0.9201214865135858
Energy: 2.1123244194147404
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 1.727250542518839
Energy: 0.9201214865124491
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Energy: 0.9201214865124491
Energy: 2.881810906743478
Energy: 0.9201214865124491
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Energy: 0.2629685088030884
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Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
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Energy: 2.1123244216165724
Energy: 0.9201214865135858
Energy: 2.1123244122695715
Energy: 0.9201214865124491
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Energy: 0.25984038284032496
Energy: 0.26296850880195183
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Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 2.112324412383184
Energy: 0.9201214865135858
Energy: 1.8071547439034314
Energy: 0.9201214865124491
Energy: 1.807136169842709
Energy: 0.9201214865124491
Energy: 2.112324413188702
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 2.112324418864838
Energy: 0.9201214865113126
Energy: 2.1123244383473345
Energy: 0.9201214865124491
Energy: 2.11232442961611
Energy: 0.9201214865113126
Energy: 2.112324417765058
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.25984038284032496
Energy: 2.112324410950497
Energy: 0.9201214865124491
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Energy: 0.9201214865124491
Energy: 2.1123244127956045
Energy: 0.9201214865124491
Energy: 2.1123244126001794
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 2.1123244118423745
Energy: 0.9201214865124491
Energy: 2.112324413663612
Energy: 0.9201214865124491
Energy: 2.112324411128873
Energy: 0.9201214865124491
Energy: 2.112324425558967
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 0.26296850880195183
Energy: 0.25984038284032496
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 2.112324414945177
Energy: 0.9201214865124491
Energy: 2.11232442013731
Energy: 0.9201214865135858
Energy: 2.1123244467456788
Energy: 0.9201214865124491
Energy: 2.1123244120275695
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828380517
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 0.2629685088030884
Energy: 0.2598403828391883
Energy: 2.112324412263888
Energy: 0.9201214865124491
Energy: 2.1123244255101166
Energy: 0.9201214865113126
Energy: 2.1123244121229963
Energy: 0.9201214865124491
Energy: 2.1123244114027004

minimum gb energy = 0.2598403828380517 eV
minimum distance =  2.31848097716241 Angstroms
sigma value = 23