Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.678452149033547
cohesive_energy=4.224994686759812
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7596705971222e-19, 2.7694904859997197e-19, 3.33634057910892e-19, 3.78531853725474e-19, 4.1858626957547397e-19, 4.550085509961959e-19, 4.879797439472819e-19, 5.1755912896419e-19, 5.438508475281299e-19, 5.67003902066064e-19, 5.87194532007732e-19, 6.04608589842678e-19, 6.1946076723985795e-19, 6.319994015775419e-19, 6.424760345872679e-19, 6.511325949407699e-19, 6.5819018301354e-19, 6.63844264354926e-19, 6.68272680571302e-19, 6.716292406195319e-19, 6.740549360434079e-19, 6.756699300904799e-19, 6.76578364241958e-19, 6.768651538594439e-19, 6.765655468288859e-19, 6.75612251731656e-19, 6.73905933616446e-19, 6.7132002052917e-19, 6.676878860998919e-19, 6.628012473661919e-19, 6.56394143006826e-19, 6.481269115753859e-19, 6.375669653806919e-19, 6.24150338247576e-19, 6.07159255044006e-19, 5.85661248968994e-19, 5.58483526726452e-19, 5.241456771065639e-19, 4.807699490942819e-19, 4.2596749732831196e-19, 3.5666534702464194e-19, 2.68878884894514e-19, 1.5739639056518938e-19, 1.530419949093042e-20, -1.66621563406098e-19, -4.0079249587826997e-19, -7.052765521101659e-19, -1.107892324997928e-18, -1.65318993802656e-18, -2.4162425817354e-18, -3.528745971085979e-18, -5.2269410507616e-18]
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: -1e-07 eV

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

Energy: 0.019275459241092766
Energy: 0.02054822989302522
Energy: 1.0342468507014924
Energy: 1.2541343525017599
Energy: 0.9998485752914565
Energy: 0.36172274406412264
Energy: 0.02032372884896374
Energy: 0.01980642161871481
Energy: 0.5068107616895012
Energy: 0.06356894689407672
Energy: 0.1285258160415728
Energy: 0.504018907602844
Energy: 0.022176727338867365
Energy: 0.06639308338364219
Energy: 0.01975774433372548
Energy: 0.5096020311852533
Energy: 0.12760945246566305
Energy: 0.1280667359997778
Energy: 0.503836302758508
Energy: 0.06693987453498979
Energy: 0.06547311493461128
Energy: 0.021990563834324153
Energy: 0.5011787208630027
Energy: 0.1275864162587136
Energy: 0.12823750656523658
Energy: 0.5019187807930477
Energy: 0.06198771205230215
Energy: 0.021013497232473404
Energy: 0.08787472077578588
Energy: 0.5068956042605414
Energy: 0.06425680404488433
Energy: 0.12869258443336445
Energy: 0.5021911862884728
Energy: 0.02193755216956655
Energy: 0.06704993611421982
Energy: 0.019635352772084724
Energy: 0.5056193517193623
Energy: 0.12686481406369635
Energy: 0.12796710877439976
Energy: 0.5048240101423884
Energy: 0.06624965704269556
Energy: 0.06466578940890615

minimum gb energy = 0.019275459241092766 eV
minimum distance =  2.56967611182573 Angstroms
sigma value = 5


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

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Energy: 0.9229556081360946
Energy: 1.1976586095215012
Energy: 0.9498018806849234
Energy: 1.0664535355777023
Energy: 1.0604113268344515
Energy: 1.1664983228447885
Energy: 1.0550072579777152
Energy: 1.0178688571844217
Energy: 1.0208371289540557
Energy: 1.0964592722681805
Energy: 0.9116974976443977
Energy: 0.9378695287412016
Energy: 0.23414206812062716
Energy: 1.149695773212374
Energy: 1.0688552004379523
Energy: 0.9916617861676236
Energy: 1.0651083762935434
Energy: 0.975353419586754
Energy: 1.023523037901595
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Energy: 1.0409608157019223
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Energy: 1.1680454516076781
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Energy: 1.083564557350782
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Energy: 1.1130657761208789
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Energy: 1.0202087232991783
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Energy: 0.9816491287471407
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Energy: 1.044264247280355
Energy: 1.1239442479016306
Energy: 1.0918255937922412
Energy: 1.1124801921829877
Energy: 1.260512683012945
Energy: 0.9826192565041713
Energy: 0.9871563787253121
Energy: 1.0812990245347764
Energy: 0.9930248420649807
Energy: 0.08175614331970396
Energy: 1.0143302967011596
Energy: 0.9797112306489167
Energy: 1.1364027786037076
Energy: 1.0561209573857124
Energy: 1.0200473535466315
Energy: 1.1395684833229345
Energy: 1.0291726093803744
Energy: 1.0807795307726766
Energy: 1.1073485790090754
Energy: 1.0108899811940952
Energy: 1.0810138501279505
Energy: 1.0614587882722666
Energy: 0.7884661814801347
Energy: 1.2156451754609183
Energy: 1.0705585815464818
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Energy: 1.074217107192191
Energy: 0.9643950232022056
Energy: 1.0415698098662438
Energy: 1.1130302204848146

minimum gb energy = -0.7864671420009258 eV
minimum distance =  2.24203741570701 Angstroms
sigma value = 401


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

Energy: 1.4081707812995936
Energy: 0.9886315686137092
Energy: 1.0813694132837124
Energy: 0.9603028989718815
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Energy: 1.070986704569542
Energy: 0.9959759814111551
Energy: 1.0666173122713707
Energy: 1.021903418613653
Energy: 1.1081334797648281
Energy: 1.1356279552722681
Energy: 1.1888224724943277
Energy: 1.0174132952357857
Energy: 1.0272132657709592
Energy: 1.048850154136311
Energy: 1.0782066192507538
Energy: 1.0688953944544899
Energy: 1.023753937310898
Energy: 0.9394326347201494
Energy: 1.0915182643684056
Energy: 1.1768105149080823
Energy: 1.243872215048285
Energy: 1.0432361604139393
Energy: 0.6671855207432121
Energy: 1.1078454374000601
Energy: 1.010945763841026
Energy: 1.0863646429216893
Energy: 1.0649698332437063
Energy: 0.9794133256119208
Energy: 1.023874288498628
Energy: 1.059098162372399
Energy: 1.103342873284235
Energy: 1.0217370569631714
Energy: 1.0233993502336023
Energy: 1.0516334470702746
Energy: 1.1541784216545965
Energy: 0.9419424081126835
Energy: 1.0649433031670203
Energy: 1.0586955721017808
Energy: 1.028591485099445
Energy: 1.0223365049523656
Energy: 1.0609129787498077
Energy: 1.3005922951793072
Energy: 1.0806839800128467
Energy: 1.1466798213150247
Energy: 1.0974852799500256
Energy: 1.0696574138866923
Energy: 1.0536825396577087
Energy: 1.0786918173174926
Energy: 1.0901840125927653
Energy: 0.9703300037235281
Energy: 1.1364063275992091
Energy: 1.1368943615884142
Energy: 1.3571875069914525
Energy: 1.0442304740472343
Energy: 1.120493953062794
Energy: 0.9832944247052723
Energy: 1.0843342817411883
Energy: 1.095996567303645
Energy: 1.024142294490918
Energy: 0.9601820891619526
Energy: 1.0295838455475999
Energy: 0.7108547371067171
Energy: 1.0456879179506995
Energy: 1.030744022566381
Energy: 1.0617835759544483
Energy: 1.096557253578126
Energy: 0.38109512198350787
Energy: 0.9970007330350731
Energy: 1.0517031560464178
Energy: 1.0156479560775358
Energy: 0.9903550487250995
Energy: 1.0400227750218187
Energy: 1.1157575234758732
Energy: 0.5690349158184053
Energy: 0.9703822670385195
Energy: 1.0023315406751372
Energy: 1.070004950187401
Energy: 1.0196806713596043
Energy: 0.9971441726296401
Energy: 1.1200349375722483
Energy: 1.26687747878147
Energy: 1.0466785546488835
Energy: 0.9917794652693807
Energy: 1.0636390387504289
Energy: 1.0581965496897707
Energy: 1.264172368267063
Energy: 1.0905746231374593
Energy: 1.0741830879765797
Energy: 1.2207696941015258
Energy: 1.1731638257287482
Energy: 1.266538627021732
Energy: 1.133970508210874
Energy: 0.6596396299052135
Energy: 1.179356560134629
Energy: 1.1059522552587269
Energy: 1.0658152854959864
Energy: 1.0664099971437324
Energy: 1.1286869600546714
Energy: 1.0831157758947345
Energy: 1.035962834719145
Energy: 1.1126882576250168
Energy: 1.2336790830594417
Energy: 0.9567725500275043
Energy: 1.018521866847763
Energy: 1.1334299267887502
Energy: 0.9003405741724071
Energy: 1.0524155049161732
Energy: 1.1508445826856488

minimum gb energy = -0.23889124269477258 eV
minimum distance =  2.29186471237213 Angstroms
sigma value = 311


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

Energy: 0.9611826555066558
Energy: 0.8896123747761057
Energy: 1.0436702121967236
Energy: 0.7968406175547548
Energy: 0.9644686378434348
Energy: 0.8852037888813414
Energy: 1.1659171248069964
Energy: 0.7685576166217021
Energy: 1.1089979487341004
Energy: 0.8190700239005946
Energy: 1.0931126805834102
Energy: 0.9208086600894311
Energy: 1.2316255020108302
Energy: 1.1214906081992426
Energy: 0.6966266199353424
Energy: 0.9959223296132436
Energy: 0.8369884503004866
Energy: 1.03570216233977
Energy: 0.6893385417207721
Energy: 0.8396256262246856
Energy: 1.068660553172611
Energy: 1.1754870785933915
Energy: 0.8476747484864922
Energy: 0.9547748259997775
Energy: 1.084892511776996
Energy: 0.8508247832003172
Energy: 0.814324893337001
Energy: 1.078116332433442
Energy: 0.7375224423377195
Energy: 1.0487892168854187
Energy: 0.7174756492853441
Energy: 1.16232688348317
Energy: 1.0715538752984917
Energy: 1.1214312511587627
Energy: 1.0584629064530198
Energy: 0.6506847834755145
Energy: 1.0308113558356855
Energy: 0.7102129102396932
Energy: 0.9832365322655107
Energy: 1.0218735180207046
Energy: 0.8650299235784674
Energy: 1.0719095929966491
Energy: 0.9831208020959695
Energy: 1.0770445175183676
Energy: 1.1439454657943324
Energy: 0.9795298018084247
Energy: 0.7605455477698795
Energy: 0.9693374314034011
Energy: 0.8248892287587412
Energy: 0.767459828870344
Energy: 1.1419498078048789
Energy: 0.9034722952888162
Energy: 0.6395714716267696
Energy: 1.1558921043693713
Energy: 0.7781358412967078
Energy: 1.0963280526861048
Energy: 0.7584321536350128
Energy: 1.0839151532552564
Energy: 0.905237756631169
Energy: 1.1016608604378935
Energy: 1.1851696341352442
Energy: 1.0688806723775115
Energy: 1.0767422395349355
Energy: 1.1777126601340209
Energy: 0.9177911156952685
Energy: 1.0646358665463158
Energy: 0.8028930309044946
Energy: 0.9259411404816162
Energy: 1.0357081451256578
Energy: 1.0477559804386263
Energy: 1.0983408936030423
Energy: 1.0962590620568193
Energy: 1.1360332382862974
Energy: 1.1030844697510351
Energy: 1.0475653311613655
Energy: 1.0475969003280192
Energy: 1.0081924249114358
Energy: 0.7785133404354774
Energy: 1.0278719933825473
Energy: 1.0361607064476956
Energy: 1.035082651170231
Energy: 1.0304867822583519
Energy: 1.0153988879088247
Energy: 1.0089094942712726
Energy: 1.1047779839066458
Energy: 1.0578352541914797
Energy: 0.8192733545134836
Energy: 0.7586843233192617
Energy: 0.7631654010527215
Energy: 1.0390605784164284
Energy: 0.8617898822651573
Energy: 0.7522562969512488
Energy: 1.0815570566971633
Energy: 0.8407054622811341
Energy: 0.9117050933832485
Energy: 1.128786508069721
Energy: 0.9246051807857353
Energy: 0.9404139210185666
Energy: 1.116832615136542
Energy: 1.039167583345759
Energy: 1.147721080138968
Energy: 1.0995284478668461
Energy: 1.1394288782025561
Energy: 0.8631198902725332
Energy: 1.1665473083789948
Energy: 0.536399912315033
Energy: 1.0323825744934139
Energy: 0.8487474060621429
Energy: 0.6994478862931907
Energy: 0.7356128181737379
Energy: 1.1248931625061316
Energy: 0.8744671897526971
Energy: 1.1054805701919637
Energy: 0.9802148362590944
Energy: 1.1293044032556248
Energy: 0.7888397960489277
Energy: 0.7243945272942722
Energy: 1.0793843470243702
Energy: 1.104154151469638
Energy: 1.0633389976189338
Energy: 1.0151175365944973
Energy: 0.7288589360774667
Energy: 1.047928660971162
Energy: 1.0391462600531078
Energy: 1.0516452336637558
Energy: 0.7814360150985418
Energy: 1.199715151711406
Energy: 1.0570032232012196
Energy: 1.1602135834787042
Energy: 1.101917958192576
Energy: 0.8115381869192998
Energy: 1.0590202660681074
Energy: 1.1529591675790312
Energy: 0.7854127984887734
Energy: 0.784049387310814
Energy: 0.8252713719871063
Energy: 0.9454265066743164
Energy: 1.1276077623396994
Energy: 0.6785151781532728
Energy: 1.1954034781326186
Energy: 1.1200900786670935
Energy: 1.1039336109480011
Energy: 1.0433132419711624
Energy: 0.6780143654086949
Energy: 1.0450640334101315
Energy: 1.0341347172222335
Energy: 1.094787623887969
Energy: 0.8319595812536549
Energy: 0.9899919464760012
Energy: 0.6742772443152275
Energy: 1.0737075790713568
Energy: 0.9883552960988901
Energy: 1.1405775332921435
Energy: 1.0879136378132213
Energy: 1.0691829715654915
Energy: 0.7477253788756397
Energy: 1.129051069671126
Energy: 0.695975788614612
Energy: 1.1126659479115488
Energy: 0.60909206854226
Energy: 1.111506830820646
Energy: 1.1779191415559362
Energy: 1.0357554786484904
Energy: 0.9062936351340996
Energy: 1.0343656679366193
Energy: 1.018403489830547
Energy: 0.922463819101956
Energy: 1.0472397035714174
Energy: 1.1147517330378636
Energy: 1.1015827917418501
Energy: 0.8471993596925579
Energy: 0.4285592353457433
Energy: 1.1099681360735627
Energy: 0.7707150028394122
Energy: 1.0084176324270615
Energy: 1.0954697705375538
Energy: 0.9005978226228042
Energy: 0.771410051955379
Energy: 0.9212177820381533
Energy: 1.1516139927424172
Energy: 0.763244438520717
Energy: 1.2084482955836444
Energy: 0.9077822704200685
Energy: 0.8564797666614369
Energy: 1.0828120715497738
Energy: 0.7115898992626539
Energy: 0.7717845938210752
Energy: 1.1145641671512467
Energy: 1.1544449957594414
Energy: 0.8824432576679226
Energy: 1.0319353402234424
Energy: 0.6289540012781056
Energy: 1.0606063098559324
Energy: 1.0022170789205276
Energy: 1.0578649636167337
Energy: 1.0945233189670849
Energy: 0.8616417029135954
Energy: 1.0549326238069594
Energy: 0.6711673398593258
Energy: 1.1188640534213659
Energy: 1.1225580459801026
Energy: 0.7800990688510557
Energy: 1.0589350393654133
Energy: 0.896817145032663
Energy: 0.7764847605181215
Energy: 1.0361408118582627
Energy: 0.9818028502001886
Energy: 1.0153708532932484
Energy: 1.1439496759547305
Energy: 1.1221613609293484
Energy: 1.1783245256407777
Energy: 0.9087843087999475
Energy: 0.7853897032479521
Energy: 1.0901772049823955
Energy: 1.155599888014128
Energy: 0.6761988132024499
Energy: 0.8199605001734738
Energy: 1.0741153798651004
Energy: 1.030266324830632
Energy: 0.8189006396302215
Energy: 0.6911544393102316
Energy: 1.0079056461247078
Energy: 1.1280070715308823
Energy: 1.136754150950159
Energy: 0.8632592659591491
Energy: 0.9206928323046835
Energy: 0.7537653503189016
Energy: 1.097746573083995
Energy: 0.763044078185104
Energy: 0.8864304857658237
Energy: 0.8100062014693783
Energy: 0.7415545461687998
Energy: 1.007517890877766
Energy: 0.7670284397410634
Energy: 1.0993933567136263
Energy: 1.0095291970258369
Energy: 0.5438171076058865
Energy: 1.0335285897497548
Energy: 0.7815154186844492
Energy: 1.0488639106026851
Energy: 0.7382294080775335
Energy: 0.7905679917099739
Energy: 1.000691829888037
Energy: 0.7479094866613318
Energy: 1.1220974292247976
Energy: 1.1031184227450588
Energy: 1.128756629191687
Energy: 0.8172073178887028
Energy: 0.9805694051217806
Energy: 1.0652197602643485
Energy: 1.0823835980024463
Energy: 1.0527575373522986

minimum gb energy = 0.4285592353457433 eV
minimum distance =  2.29656426541448 Angstroms
sigma value = 39


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

Energy: 1.1632616009468277
Energy: 0.34865765568601254
Energy: 1.03381092672247
Energy: 1.047961460718202
Energy: 0.9892418178903095
Energy: 1.1791177041486385
Energy: 1.1540082715055833
Energy: 1.1464753800067102
Energy: 1.075872417947748
Energy: 1.2012975032649538
Energy: 1.1212484288336009
Energy: 1.163910515303128
Energy: 1.1767246212459241
Energy: 1.1800076743351273
Energy: 1.0340711740945978
Energy: 1.1369400068709516
Energy: 1.1175804446258106
Energy: 1.1864478301306698
Energy: 1.125651448750559
Energy: 1.1797584114125803
Energy: 0.9540541540521889
Energy: 1.1671576024823667
Energy: 1.0468924833163844
Energy: 1.0651237042588682
Energy: 0.9903722840997451
Energy: 1.0534758745928756
Energy: 1.1166184890051882
Energy: 1.1816803920783339
Energy: 1.1970713050011967
Energy: 1.161057519988247
Energy: 1.1854381962066711
Energy: 1.116951138889355
Energy: 1.1143478030057579
Energy: 1.105629228328471
Energy: 1.2700543872858314
Energy: 1.1469992872133163
Energy: 1.1616394730093427
Energy: 1.0484647944104628
Energy: 1.094743235180526
Energy: 1.0793195025786264
Energy: 1.1832159060432201
Energy: 1.1769375447147996
Energy: 1.1230993544193495
Energy: 1.0176197511150542
Energy: 1.0525155378815367
Energy: 1.0668161140696049
Energy: 1.1516264299182786
Energy: 1.151027281102377
Energy: 1.2061053373397848
Energy: 1.1503186423865408
Energy: 1.073609646676662
Energy: 1.0219081509660282
Energy: 0.9553342541954012
Energy: 1.0976661869930509
Energy: 1.1055249023890557
Energy: 1.3243340521949654
Energy: 1.1506271977827165
Energy: 1.0738995162233025
Energy: 1.018125639338115
Energy: 1.0810211092344026
Energy: 1.005465181484631
Energy: 1.117440366784047
Energy: 1.324762178995566
Energy: 1.1225432101551365
Energy: 0.9275155004051401
Energy: 1.1263831050182345
Energy: 1.0491200949617405
Energy: 1.1642067185564362
Energy: 1.1777112926829656
Energy: 1.3235450687257253
Energy: 1.1649754746101897
Energy: 1.0548823684326412
Energy: 1.0649417113500104
Energy: 1.0857404317326906
Energy: 1.1262776489267754
Energy: 1.1784857657707528
Energy: 1.277630054089103
Energy: 1.207051958651998
Energy: 1.1681542858318443
Energy: 1.1643007751168766
Energy: 1.1290889787269334
Energy: 1.150155521201995
Energy: 1.1247228606680664
Energy: 1.2441323614131674
Energy: 1.1517318076560403
Energy: 1.1596263605195194
Energy: 1.096867045623415
Energy: 1.1261437925070026
Energy: 1.0200086450663202
Energy: 1.106280219807182
Energy: 1.1778257801193524
Energy: 1.1252835432205635
Energy: 1.0603273699414542
Energy: 1.0527524696118318
Energy: 1.0177694158944206
Energy: 1.1531578955561999
Energy: 1.1538904940095414
Energy: 1.075426973105058
Energy: 1.1464443608400041
Energy: 0.9599673760877624
Energy: 1.047105526372843
Energy: 1.0658062027275166
Energy: 1.152734392360043
Energy: 1.1505015557330331
Energy: 1.177191409786886
Energy: 1.1631657242736269
Energy: 1.2037951254381325
Energy: 1.0330719673782944
Energy: 1.0604583622755945
Energy: 0.9904589931775436
Energy: 1.1833474009737395
Energy: 1.1502564491331166
Energy: 1.1758214555271864
Energy: 0.9601390389976487
Energy: 1.2014146487747415
Energy: 1.1211873842139837
Energy: 1.1636567456783469
Energy: 1.176799638097095
Energy: 1.182518017484707
Energy: 1.1809415027568042
Energy: 1.1367053446079405
Energy: 1.1172948657521453
Energy: 1.1854170961544102
Energy: 1.125804222252741
Energy: 1.1780944655860246
Energy: 0.9531900140966386
Energy: 1.1654289008050807
Energy: 1.046692319536434
Energy: 1.0644185417451244
Energy: 0.990299870598326
Energy: 1.1316275815357266
Energy: 1.116557723406468
Energy: 1.182470304055827
Energy: 1.2000285789711775
Energy: 1.1606439136614435
Energy: 1.1856568488921138
Energy: 1.1171577747234913
Energy: 1.037287239687133
Energy: 1.0311022638444536
Energy: 1.2703702109203556
Energy: 1.1474110319061628
Energy: 1.0518644686539098
Energy: 1.0479519623759876
Energy: 1.0953208413146054
Energy: 1.0786436491197686
Energy: 1.1607738937200138
Energy: 1.1765555156097067
Energy: 1.1233883377321467
Energy: 1.0073118815367264
Energy: 1.0524268037553304
Energy: 1.067129176147908
Energy: 1.152049836769098
Energy: 1.1510493503112305
Energy: 1.2061392235091812
Energy: 1.1503270020556848
Energy: 1.0741502139210861
Energy: 1.0117166679212488
Energy: 0.9556172869021776
Energy: 1.098159700782414
Energy: 1.1060245359268648
Energy: 1.3237339560720742
Energy: 1.150414942113092
Energy: 1.0750992183373977
Energy: 1.018138396728597
Energy: 1.0460545325293766
Energy: 1.0052454933942867
Energy: 1.1176902024325919
Energy: 1.32544518912928
Energy: 1.1224677448917182
Energy: 1.0219641840191236
Energy: 1.126084520482899
Energy: 1.051650689119466
Energy: 1.1638967780677345
Energy: 1.17797668351042
Energy: 1.1808970183399825
Energy: 1.1648653710755688
Energy: 1.0547566187563184
Energy: 1.0644529100696418
Energy: 1.16412719072723
Energy: 1.1262344427039201
Energy: 1.1179218571629812
Energy: 1.277179269689699
Energy: 1.2065930409243173
Energy: 1.1679109579376514
Energy: 1.1640747065768522
Energy: 1.1292779253764937
Energy: 1.15014085991781
Energy: 1.122766618603233
Energy: 1.244132815815483
Energy: 1.1517881045073082
Energy: 1.1600164143369474
Energy: 1.085234088480266
Energy: 1.125895027709117
Energy: 1.0190744264165255
Energy: 1.1064893779087117
Energy: 1.1784913731158748
Energy: 1.1250677402134743
Energy: 1.0608450219877654
Energy: 1.052950901948357
Energy: 1.0179225084596863
Energy: 1.152723872706059
Energy: 1.1531727428841576
Energy: 1.1935972251372613
Energy: 1.1464182015016189
Energy: 0.959514530363335
Energy: 1.0470476590736422
Energy: 0.9173202966791557
Energy: 1.1531956190194157
Energy: 1.1513554986951722
Energy: 1.0762003167081466

minimum gb energy = 0.34865765568601254 eV
minimum distance =  2.31691424991316 Angstroms
sigma value = 21


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

Energy: 1.3380387188498097
Energy: 1.1155250671600723
Energy: 1.0198257432819506
Energy: 0.9943147604702227
Energy: 1.0572311225962705
Energy: 1.0784139260528007
Energy: 1.0364494669540598
Energy: 1.0937885438636439
Energy: 1.0710487543115674
Energy: 1.202454720856517
Energy: 1.037186671038552
Energy: 1.050415783541007
Energy: 0.9368160270113062
Energy: 1.0375888956187573
Energy: 1.3094738065566451
Energy: 1.185029199170047
Energy: 0.9613871779917357
Energy: 1.0777933488867584
Energy: 1.049091953640651
Energy: 1.0903378010116354
Energy: 1.0760391692469098
Energy: 0.8082879091245478
Energy: 1.102871075031491
Energy: 1.2198756714672252
Energy: 1.0919080401301642
Energy: 0.9415571259440968
Energy: 1.1877332380882355
Energy: 1.1593927969360032
Energy: 1.0289385843095493
Energy: 1.0710377861632079
Energy: 1.183435914718981
Energy: 0.9437738543315202
Energy: 0.9133552667550887
Energy: 0.8925790176709951
Energy: 0.9616078238583614
Energy: 0.9982564529650655
Energy: 0.9848728030919559
Energy: 1.0794899223471075
Energy: 0.985155674018661
Energy: 0.9151525651383359
Energy: 1.0217451815611902
Energy: 1.0519988085138758
Energy: 0.7667642360191372
Energy: 1.016488888194847
Energy: 1.1897524192663793
Energy: 1.1681464030661544
Energy: 0.9376503105392918
Energy: 0.9373972561258711
Energy: 1.058693573197476
Energy: 1.1397030521779976
Energy: 1.0086267131793294
Energy: 0.8401919420420199
Energy: 1.0737022726558596
Energy: 1.0590023688961945
Energy: 1.0348389098640645
Energy: 1.0279411098161797
Energy: 1.0474487568510644
Energy: 1.084417362091452
Energy: 1.0212571477676828
Energy: 1.0049163377600525
Energy: 0.8848340576344484
Energy: 1.0074407295215002
Energy: 0.9626519722466025
Energy: 1.1150896771832868
Energy: 1.036488192403211
Energy: 1.111265326713659
Energy: 1.1898557509596264
Energy: 0.9922617409910047
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Energy: 0.9323498626548057
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Energy: 0.8329527106413614
Energy: 1.031170927631457
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Energy: 1.152373911396262
Energy: 1.0478002930629156
Energy: 1.1161200369848803
Energy: 0.9513449945472816
Energy: 1.0806434385395853
Energy: 1.0642182439278207
Energy: 1.2071504845383192
Energy: 0.9479674874136119
Energy: 1.2257531504744328
Energy: 1.0458874085053473
Energy: 1.0192241046236572
Energy: 0.8820549142106864
Energy: 0.9705536063443467
Energy: 1.0525652486544823
Energy: 0.9642289175965644
Energy: 1.0602408073141887
Energy: 1.0745387712635275
Energy: 0.8693161478578311
Energy: 1.0024918430779537
Energy: 1.1527335499792473
Energy: 1.0931148943527322
Energy: 1.1475549201899897
Energy: 0.8970204125607422
Energy: 1.053536185120648
Energy: 1.290643594815735
Energy: 1.159349629239444
Energy: 1.0142597033200074
Energy: 1.0347501267195829
Energy: 1.0593646129420509
Energy: 1.1479664711003996
Energy: 0.8861073467784137
Energy: 0.9414772594346539
Energy: 1.1148524981113468
Energy: 1.1244048133353877
Energy: 1.1173059297153027

minimum gb energy = 0.4010012953572993 eV
minimum distance =  2.30083566669198 Angstroms
sigma value = 113


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

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Energy: -0.6797291553953749
Energy: 1.3867713339287917
Energy: -1.0593956757683396
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Energy: -0.6445857024528244
Energy: -0.410207893162745
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Energy: -1.1363600556136335
Energy: 0.2669444836107076
Energy: 0.10237261474644854
Energy: -0.7365358012569309
Energy: -0.7645533503949768
Energy: -0.3479812901450493
Energy: -0.9857165954473938
Energy: 0.037133946623141866
Energy: -1.4809841447208087
Energy: -0.6475846068546539
Energy: 0.14912141772421755
Energy: -0.5758105071083738
Energy: 0.16538838727053445
Energy: -0.4560082761188606
Energy: 0.061853774292534566
Energy: -1.406931214614891
Energy: 0.0737983660005732
Energy: -0.31580119051353195
Energy: -0.4860253385080974
Energy: -1.063103282086661
Energy: -0.2716540539961206
Energy: -0.39407037454291516
Energy: -0.7679844115495201
Energy: 1.2324642423804122
Energy: -0.6123212272171981

minimum gb energy = -1.6794714135502018 eV
minimum distance =  2.25715290131211 Angstroms
sigma value = 365


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

Energy: 1.1124731208694354
Energy: 0.6601948196568578
Energy: 0.6591564680019092
Energy: 0.6583594789872451
Energy: 0.6579721068076774
Energy: 0.6588250646940262
Energy: 0.6603048951202475
Energy: 1.0925301408389647
Energy: 0.7501761597898121
Energy: 1.034443499302728
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Energy: 0.6622570240356647
Energy: 0.6596017795678444
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Energy: 1.039130253152027
Energy: 0.7463309991984004
Energy: 0.6583189244811681
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Energy: 0.7465087618782217
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Energy: 0.7471093932319289
Energy: 0.7450430694564125
Energy: 0.6467472079223875
Energy: 0.7438402717925066
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Energy: 0.7480387647819374
Energy: 0.6596491989396812
Energy: 0.6595836048123535
Energy: 0.6578755992508656
Energy: 0.6597589187889211
Energy: 0.6604552099018
Energy: 1.0386573254689682
Energy: 0.7470451493402266
Energy: 0.661222919822702
Energy: 0.6591631772720301
Energy: 0.6601800234561788
Energy: 0.6581066255208919
Energy: 0.7444108346502342
Energy: 1.0370489213058154
Energy: 0.7478466761603528
Energy: 0.6609899661267593
Energy: 0.6603524797114796
Energy: 0.660814362401336
Energy: 0.6631782846784737
Energy: 0.7442348315842069
Energy: 1.1126155674142542
Energy: 0.7441962678198598
Energy: 0.6594364706058742
Energy: 0.6579944591592792
Energy: 0.6586783406192132
Energy: 0.6589981309173483
Energy: 0.6599756231270191
Energy: 1.0948538979201088
Energy: 0.746822016459988
Energy: 0.6491155980398119
Energy: 0.8027758695267959
Energy: 0.6635301774880008
Energy: 1.0311541189454467
Energy: 0.7457528539587386
Energy: 1.0410248413065748
Energy: 0.7482148967912322
Energy: 0.663239074799087
Energy: 0.660063632793419
Energy: 0.6582986126679965
Energy: 0.6597812915964621
Energy: 0.6603938888494749
Energy: 1.040237278828278
Energy: 0.7497594065849792
Energy: 0.6605582765913847
Energy: 0.6591087873505433
Energy: 0.6601022608043469
Energy: 0.6618726618790672
Energy: 0.6596408431781161
Energy: 1.0950313929731934
Energy: 0.7478192883021426
Energy: 1.0344221391270971
Energy: 0.6622417397506154
Energy: 0.6610153568778512
Energy: 0.6618681913127605
Energy: 0.746826108484905
Energy: 1.1125066935053398
Energy: 0.7475746785502339
Energy: 0.6589958649924855
Energy: 0.6586775081540562
Energy: 0.6576034404137038
Energy: 0.6588467713826257
Energy: 0.6604084269899343
Energy: 1.0366830110065839
Energy: 0.7495081867405109
Energy: 1.0346643830077267
Energy: 0.6604824491981288
Energy: 0.662126163923547
Energy: 0.664163900247668
Energy: 0.7479546336886572

minimum gb energy = 0.6389880657639254 eV
minimum distance =  2.40966177757303 Angstroms
sigma value = 23