Model name: model_name=MEAM_LAMMPS_LiyanageKimHouze_2014_FeC__MO_075279800195_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604128666222096
cohesive_energy=4.173343107524021
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.016225713123995567
Energy: 1.4754654653026134
Energy: 0.016225713123680062
Energy: 1.4754654653026134
Energy: 0.016225713123995567
Energy: 1.4754654653023331
Energy: 1.4754654653023331
Energy: 1.025905443103862
Energy: 1.4754654653023331
Energy: 1.025905443103862
Energy: 1.4754654653023331
Energy: 1.0259054431041774
Energy: 0.016225713123995567
Energy: 1.4754654653026134
Energy: 0.016225713123680062
Energy: 1.4754654653023331
Energy: 0.016225713123995567
Energy: 1.4754654653020176
Energy: 1.4754654653023331
Energy: 1.025905443103862
Energy: 1.4754654653023331
Energy: 1.025905443103231
Energy: 1.4754654653026134
Energy: 1.0259054431035466
Energy: 0.016225713123995567
Energy: 1.4754654653026134
Energy: 0.016225713123995567
Energy: 1.4754654653026134
Energy: 0.016225713123995567
Energy: 1.4754654653023331
Energy: 1.4754654653023331
Energy: 1.0259054431044579
Energy: 1.4754654653023331
Energy: 1.0259054431041774
Energy: 1.4754654653026134
Energy: 1.0259054431047734

minimum gb energy = 0.016225713123680062 eV
minimum distance =  2.40092374544055 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: -2.969500225102788
Energy: -2.286669194763271
Energy: -3.0102741568315547
Energy: -2.29230625529442
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Energy: -3.8773063508666334
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Energy: -3.8198273493778014
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Energy: -3.8206908994212125
Energy: -2.2813164775965555
Energy: -2.283499458333224
Energy: -2.760498734297943
Energy: -2.853792782631351
Energy: -2.5846638436233738
Energy: -2.337398175517015
Energy: -2.7899998277228555
Energy: -3.151228379010826
Energy: -2.268177129716247
Energy: -4.011305422183443
Energy: -2.449700865869158
Energy: -3.7344120563619136
Energy: -2.306182096411335
Energy: -2.350321553264681
Energy: -2.2669101518626427
Energy: -2.3151643136126476
Energy: -2.717918284880571
Energy: -2.3149268449153166
Energy: -2.71003279646264
Energy: -4.2176677978852215
Energy: -2.2942085043949008
Energy: -3.925435550602259
Energy: -2.3481778649604825
Energy: -3.997380052920061
Energy: -2.3482221459577977
Energy: -2.10655864509553
Energy: -2.3585859099769584
Energy: -2.494623868087754
Energy: -2.4760430092467107
Energy: -2.930915635934276
Energy: -2.5299159777155222

minimum gb energy = -4.538128901764326 eV
minimum distance =  2.34444632505525 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

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Energy: -1.9057724437974022
Energy: 1.207353655318851
Energy: -2.497707134645841
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Energy: 0.8962981232157052
Energy: -1.8212395943827824
Energy: 0.8962981232044739
Energy: -1.8690056257274983

minimum gb energy = -2.7501976017663536 eV
minimum distance =  2.31315171060616 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.1137656123152022
Energy: -1.3303124827682413
Energy: 1.1137656114968468
Energy: -1.3337738293683221
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Energy: -1.1590387482280333
Energy: -1.4293262419304709
Energy: -1.4994734954201898
Energy: -1.7589176160500954

minimum gb energy = -1.8009328230853963 eV
minimum distance =  2.33861530568849 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.8551558840410961
Energy: 0.7587576459588011
Energy: 0.8551558839342585
Energy: 0.7587576459588011
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Energy: 0.8261440972820706
Energy: 0.8553265609579933
Energy: 0.8262868794486566
Energy: 0.8550567984360803
Energy: 0.8262848474066798
Energy: 0.8550565432841156
Energy: 0.8262778835888386
Energy: 0.8550561297067351
Energy: 1.036256153087223
Energy: 0.7288662566936978
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Energy: 0.7288662566948851
Energy: 0.7252952687244737
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Energy: 1.164271415189544
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Energy: -1.0182820281345044
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Energy: -1.0275879387052307
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Energy: 0.725177119363629
Energy: -1.1067623532780135
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Energy: 0.8262779568275003
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Energy: -0.9642616636505316
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Energy: -0.7852602599417047
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Energy: -1.2242247881299033
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Energy: -1.0251418940688004
Energy: 1.1642714151877627
Energy: -1.0209660412413684
Energy: 1.1642714151759157
Energy: 0.8551558840505682
Energy: 0.7587576459599886
Energy: 0.8551558839520692
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Energy: -1.1057456454486745
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Energy: -1.001924597229722
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Energy: -1.0278403625644443
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Energy: 0.7251771194330641
Energy: -1.2637913554506397
Energy: 0.7251771194835009
Energy: -1.1342586249434767
Energy: 0.7251771193844082
Energy: -1.1086551445903634

minimum gb energy = -1.4219933517070984 eV
minimum distance =  2.32728036265294 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: -1.824035485919668
Energy: 0.7145580956779175
Energy: -1.7789117003574983
Energy: 0.7145580892428539
Energy: -1.6604309769596182
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Energy: -1.6987704815453444
Energy: -1.5780450241479533
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Energy: 0.6827099859937994
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Energy: 0.6827099859618391
Energy: -1.589007127081541
Energy: 0.6827099858644378
Energy: -1.599784522470425
Energy: -1.694908760880002
Energy: 0.7054034709735683
Energy: -1.6507241247986568
Energy: 0.7054034709677512
Energy: -1.6506843652905472
Energy: 0.705403470947425
Energy: -1.5775369239866999
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Energy: -1.6967788980412872
Energy: 0.7127515869794779
Energy: -1.5767423392072322
Energy: 0.7127515799455301
Energy: -1.6487712865136126
Energy: -1.883637053451647
Energy: -1.7283484502283992
Energy: -1.782942895837836
Energy: -1.733426469789239
Energy: -1.8843674469058243
Energy: -1.4746031144850849
Energy: -1.497617465804158
Energy: -1.6488376094932333
Energy: -1.6954146436074713
Energy: -1.6542781690914103
Energy: -1.7282230712779179
Energy: -1.6443449009535198
Energy: -1.688630832544
Energy: -1.672895668148159
Energy: -1.6154483392095202
Energy: -1.7930975180861437
Energy: -1.5948084718479472
Energy: -1.4441652200566752
Energy: 0.6819209090722587
Energy: -1.7160982749301468
Energy: 0.6819209085039136
Energy: -1.7099508235444796
Energy: 0.6819209087480944
Energy: -1.596152065003353
Energy: -1.6439369910441068
Energy: -1.6017805709373365
Energy: -1.6456140394172547
Energy: -1.6024073304353486
Energy: -1.6434905956210903
Energy: -1.8625762289508894
Energy: 0.7035345793456433
Energy: -1.8632107491243906
Energy: 0.7035345793442221
Energy: -1.6706002005917882
Energy: 0.7035345793456433
Energy: -1.3294374345098932
Energy: -1.6678881962566248
Energy: -1.4020436943770194
Energy: -1.5418062352275985
Energy: -1.4011310667438654
Energy: -1.5435304465393065

minimum gb energy = -1.8843674469058243 eV
minimum distance =  2.34831686217409 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.957185561758372
Energy: -2.2901942590418654
Energy: -2.2168033578712563
Energy: -2.3514891669097944
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Energy: -2.530376489540097
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Energy: -1.998774389706405
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Energy: -1.9252651400638234
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Energy: -2.3032105191791854
Energy: -2.3687959520319186
Energy: -2.6401635474057654
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Energy: -2.0495690122144907
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Energy: -1.9307940450722434
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Energy: -1.9024149244372244
Energy: -2.184355086372401
Energy: -2.8634997896139898
Energy: -2.053655774796453
Energy: -2.7164887798643336
Energy: -1.9659760958831825
Energy: -2.9891628380260538
Energy: -2.012133105130284
Energy: -2.6134732786009565
Energy: -2.6643497557854103
Energy: -2.324589516361242
Energy: -2.8852244512217147
Energy: -2.4262225756948927
Energy: -2.514279765076683
Energy: -2.066883660992304
Energy: -2.264097951787778
Energy: -2.288791658878432
Energy: -2.1959159234838967
Energy: -2.1384710316414006
Energy: -2.195980508911373

minimum gb energy = -4.663147595183597 eV
minimum distance =  2.32115836613262 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: -1.121245812698917
Energy: -1.4944748585440712
Energy: 0.5714378862419653
Energy: -1.4941960613126177
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Energy: -1.8973136940814523
Energy: -2.6393411100734245
Energy: -1.9034626570445354
Energy: -3.0572695825873897
Energy: -1.652845872677956
Energy: -3.0907890359350367
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Energy: -3.096676624869561
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Energy: -1.1437104698795415
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Energy: -1.7388351912106341
Energy: -2.0422854111716164
Energy: -1.7104532807923631
Energy: -1.7263171029444075
Energy: -1.6578157492898282
Energy: -2.0495511301162974
Energy: -2.7879302914251602
Energy: -2.1670882634815083
Energy: -2.581499278546674
Energy: -2.1668671793098992
Energy: -2.6229778414634417
Energy: -2.2002989008983675
Energy: -1.8843792477388694
Energy: -1.7271633893843183
Energy: -2.0172905738654405
Energy: -1.7655099297230126
Energy: -1.884355698347958
Energy: -1.7213995299980445
Energy: -1.8033931203507414
Energy: -2.1200000117076048
Energy: -2.1623024372509545
Energy: -2.658818697912308
Energy: -1.7877167019548492
Energy: -2.3297902700062387
Energy: -2.1187198649973835
Energy: -2.581940193393217
Energy: -1.9696964708551288
Energy: -2.5966089855642305
Energy: -2.0170929082246816
Energy: -2.6061888780873375

minimum gb energy = -3.096676624869561 eV
minimum distance =  2.35996257191654 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: -2.9970572818867685
Energy: -3.5587296343755495
Energy: -3.152125678074496
Energy: -3.5493841431948776
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Energy: -3.388051189561673
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Energy: -2.7713749608494984
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Energy: -2.81499997239012
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Energy: -2.8136562436584605
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Energy: -2.7287064615326906
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Energy: -3.157067353524001
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Energy: -2.8977778813073107
Energy: -3.177200147152258
Energy: -3.080540515916644
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Energy: -2.9023385064439164
Energy: -2.962044747772117
Energy: -3.15016649921207
Energy: -3.4184252672496975
Energy: -3.273871597063623
Energy: -3.1478124768677587
Energy: -3.1679106092703413
Energy: -2.9910151985263056
Energy: -3.1300322540835155
Energy: -2.940472220234723
Energy: -3.136902437640327
Energy: -2.843976830446772
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Energy: -2.861608847803088
Energy: -2.5682176788677875
Energy: -2.675928103794303
Energy: -2.674211596853088
Energy: -2.655212392085948
Energy: -2.7406082478196185
Energy: -2.5694304084424475

minimum gb energy = -3.797956195778644 eV
minimum distance =  2.32969785901094 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

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Energy: -2.0102714032148046
Energy: -2.199106953057042
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Energy: -1.9376677899520893
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Energy: -1.885248443834621
Energy: -1.7880942866073755
Energy: -1.9696209264769486
Energy: -1.8840041044292704

minimum gb energy = -3.094319620760318 eV
minimum distance =  2.30687898336065 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: -3.239534703736965

minimum gb energy = -5.035122616573804 eV
minimum distance =  2.3807412105205 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

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Energy: -2.091859976399604

minimum gb energy = -2.548361327545976 eV
minimum distance =  2.38232237047794 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -5.321583077532349 eV
minimum distance =  2.32808396191492 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -2.0771759536003316
Energy: -1.779603010213004
Energy: -2.28388747943689
Energy: -1.7320394391674798
Energy: -2.0452900261636233
Energy: -1.8956683062190598
Energy: -2.119484324380265
Energy: -1.8739002101302287
Energy: -2.2838817973845362
Energy: -2.7728379703433155
Energy: -2.01325392176688
Energy: -1.9119537019676296
Energy: -2.368889427366349
Energy: -1.9050740119789578
Energy: -2.365850831258134
Energy: -1.9115115505213862
Energy: -2.5815403823034
Energy: -3.2362406005446385
Energy: -1.9862427591373149
Energy: -2.518747026697427
Energy: -1.8649428682301754
Energy: -2.7854677437320476
Energy: -1.9200408490468963
Energy: -1.8220004943223225
Energy: -2.5802067618879114
Energy: -1.752835962922067
Energy: -2.9099150123383777
Energy: -1.7833887527501016
Energy: -2.7929034531116828
Energy: -1.9615550877380097
Energy: -1.8714980929102247
Energy: -1.9943672810571427
Energy: -1.9167302439628207
Energy: -1.8698200007257029
Energy: -1.886624228114245

minimum gb energy = -3.4309909396845786 eV
minimum distance =  2.34184670432616 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: -1.8341217441251805
Energy: -1.5499782604721744
Energy: -1.8150529582668244
Energy: -1.590533337972979
Energy: -1.6899859310907865
Energy: -1.599290697208398
Energy: -1.5612743672194722
Energy: -1.8140884102212247
Energy: -1.435741103153744
Energy: -1.8372509711549037
Energy: -1.5430324544181893
Energy: -1.8621691520362733
Energy: -1.5138635664478621
Energy: -1.6001165489962361
Energy: -1.55975218398017
Energy: -1.3439588030434673
Energy: -1.5650258954777976
Energy: -1.4584415656982266
Energy: -1.6002441006380177
Energy: -1.8634164221588418
Energy: -1.7307819100308028
Energy: -1.6685323283062325
Energy: -1.6655804367735718
Energy: -1.680602916123312
Energy: -1.652754884270325
Energy: -1.882909538195756
Energy: -1.6843038356431528
Energy: -1.7961271721221108
Energy: -1.7861338089454677
Energy: -1.919868124021193
Energy: -1.6060059054401437
Energy: -2.7552427918574014
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Energy: -1.8020079426954356
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Energy: -1.5717661126807563
Energy: -2.210457930807605
Energy: -1.7328858092334232
Energy: -1.8709146608044909
Energy: -1.6428953283150163
Energy: -1.4627595174959154
Energy: -1.7809229881820292
Energy: -1.9177396009551062
Energy: -1.599339411848222
Energy: -1.7715674614117518
Energy: -1.6240310721143112
Energy: -1.759810832787414
Energy: -1.9019671305215278
Energy: -1.6787528656343909
Energy: -1.5269697215359619
Energy: -1.6478498715502146
Energy: -1.6914452244101799
Energy: -1.7846717611884682
Energy: -1.7745138590190193
Energy: -1.4383192871010033
Energy: -2.0916327085766495
Energy: -1.7648924731592301
Energy: -1.8840939670392758
Energy: -1.7090405017432686
Energy: -2.2839313416860856
Energy: -1.6131321286479325
Energy: -1.9713218263216183
Energy: -1.6226818859845933
Energy: -1.594362488176991
Energy: -1.6253808931737599
Energy: -1.8471589799569879
Energy: -1.6383852681355362
Energy: -1.7547064485244745
Energy: -1.5738390735028556
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Energy: -2.030745611128491
Energy: -1.6904724228375785
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Energy: -1.8054596749075562
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Energy: -1.9631106940860523
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Energy: -1.8745892375299718
Energy: -1.9242759670323455
Energy: -1.889450421899013
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Energy: -2.0077149245002643
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Energy: -1.986915435983654
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Energy: -1.6814287846780167
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Energy: -1.7616601079506582
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Energy: -1.7080358673834217
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Energy: -1.6113624496363679
Energy: -1.299859192884854
Energy: -1.6098068226624462
Energy: -1.5653625648151723
Energy: -1.7902390941860722
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Energy: -1.764145624897226
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Energy: -1.6839288317413215
Energy: -1.6212634991228227
Energy: -1.6829745340690634
Energy: -1.7832478639019855
Energy: -1.5964930339350123
Energy: -1.821800370122912
Energy: -1.6166395699407135
Energy: -1.9219911777750145
Energy: -1.609034780168725
Energy: -1.2861753491300065
Energy: -1.261003095551718
Energy: -1.226932680281942
Energy: -1.2637851343743127
Energy: -1.3463142390591432
Energy: -1.2606723983183523
Energy: -1.7318996248690874
Energy: -1.343052479736072
Energy: -1.8420284608150117
Energy: -1.600531728727176
Energy: -1.7954656487364296
Energy: -1.5364167954812213
Energy: -1.5625288716591883
Energy: -1.8299653104444262
Energy: -1.5504208577833256
Energy: -1.7093458502648635
Energy: -1.546145049194081
Energy: -1.7364222726613927
Energy: -2.9089826202031115
Energy: -1.6729288508149143
Energy: -1.736277324595784
Energy: -1.624521742049571
Energy: -1.8862031402188078
Energy: -1.6526748330421377
Energy: -1.2963616693944988
Energy: -1.6484250420551654
Energy: -1.5271033926528914
Energy: -1.505576330028384
Energy: -1.2747912507349155
Energy: -1.5123632482785525
Energy: -1.887448098591211
Energy: -2.0080803988776244
Energy: -2.057973379158993
Energy: -1.9223396741243326
Energy: -1.9434288537475455
Energy: -1.9130889450509811
Energy: -1.5767041688447034
Energy: -1.6692915808402031
Energy: -1.5751597563296542
Energy: -1.700737422052943
Energy: -1.6240375941665648
Energy: -1.6696092892477508
Energy: -1.6321197285599383
Energy: -1.7388058434811158
Energy: -1.6605088594517454
Energy: -1.8025021377519395
Energy: -1.6337261476234217
Energy: -1.8347437905019126
Energy: -2.2745962851463593
Energy: -1.7645528024639012
Energy: -2.1876449783500203
Energy: -1.5735285506529502
Energy: -2.091410235951982
Energy: -1.6070201951818144
Energy: -1.6882469356694152
Energy: -1.5805495774206124
Energy: -1.5302999504830028
Energy: -1.6658638688575858
Energy: -1.527524672885667
Energy: -1.560176103258471

minimum gb energy = -2.9089826202031115 eV
minimum distance =  2.37826817680271 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: -1.689591819716289
Energy: -2.165667490123862
Energy: -2.0407085424316547
Energy: -2.1660754611320683
Energy: -1.9954261067377734
Energy: -2.1870844730829293
Energy: -1.8202285295310192
Energy: -2.158390662935818
Energy: -1.8275886127867296
Energy: -2.1473542732544844
Energy: -1.8909061570502137
Energy: -2.1384678545069997
Energy: -1.8502741922506594
Energy: -1.8067781076891425
Energy: -1.9224336179106336
Energy: -1.6158492940915248
Energy: -1.61685971092815
Energy: -1.6044975597212263
Energy: -1.9217313989805656
Energy: -2.304728346455875
Energy: -1.9006915810813252
Energy: -2.4996389230402056
Energy: -1.7541822296290468
Energy: -2.2094113149311134
Energy: -1.8872865519313267
Energy: -1.8578858909623024
Energy: -1.8252161125578332
Energy: -1.8368425057299858
Energy: -1.957528643388313
Energy: -1.826633369921851
Energy: -2.0570382400732625
Energy: -1.8246790025760182
Energy: -1.9280675828893092
Energy: -2.263793114448102
Energy: -2.1350262143119214
Energy: -2.0242834180672666
Energy: -1.8260191887724802
Energy: -2.101398757945357
Energy: -1.7486789234456561
Energy: -1.9814901830466067
Energy: -1.7707056782604438
Energy: -2.0229307282961995
Energy: -2.135875382823162
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Energy: -2.1809871575367956
Energy: -2.1565426302012956
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Energy: -1.860667282238717
Energy: -2.056408164872331
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Energy: -2.170886325175501
Energy: -1.7413765235510286
Energy: -2.233767943048287
Energy: -2.18272498930652
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Energy: -2.027299085095008
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Energy: -1.993659734988065
Energy: -1.798267144214296
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Energy: -1.8574225948800365
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Energy: -2.1663213424848458
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Energy: -2.3981950988170957
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Energy: -1.839782810991322
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Energy: -1.8248318156977408
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Energy: -1.819004260738742
Energy: -2.0506149607616715
Energy: -1.813009139724571
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Energy: -1.7788357939466093
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Energy: -1.844826624016457
Energy: -2.1978769114267336
Energy: -1.7682051720423744
Energy: -2.183618265360511
Energy: -2.118621380486546
Energy: -1.8724098734676722
Energy: -2.245566933964721
Energy: -1.975733324545065
Energy: -2.2459314815545492
Energy: -1.9976324241535737
Energy: -1.74076959704711
Energy: -1.7945766538451444
Energy: -1.852482627883571
Energy: -1.8839306146945036
Energy: -1.8517742698442345
Energy: -1.936436779306616
Energy: -2.1119545784130045
Energy: -2.026498268347557
Energy: -2.170997559393664
Energy: -1.92957057966938
Energy: -2.0552967497287686
Energy: -1.9478155965209178
Energy: -1.8430851704683908
Energy: -2.0555794671488123
Energy: -1.7773628310624368
Energy: -2.1426558394579382
Energy: -1.831503827001186
Energy: -2.2157437540108784
Energy: -1.764493125792316
Energy: -2.084834380292164
Energy: -1.7719570124892494
Energy: -2.094707565546199
Energy: -1.791659463625007
Energy: -2.0921448262450424
Energy: -1.858932942185326
Energy: -1.7902900543245692
Energy: -1.9781217816753451
Energy: -1.817694250502817
Energy: -2.0288153821028585
Energy: -1.7893752325180878
Energy: -2.185188036703034
Energy: -2.1777632776457603
Energy: -2.3143351117438704
Energy: -2.1831322002648075
Energy: -2.312568590400362
Energy: -2.1376625239577587
Energy: -1.8863771827005635
Energy: -1.8907655705686366
Energy: -1.790209535693965
Energy: -2.01193225409374
Energy: -1.7631372804911956
Energy: -1.9247366070116376

minimum gb energy = -2.4996389230402056 eV
minimum distance =  2.39608493491493 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: -2.1437561428246266
Energy: -1.6751829212480065
Energy: -1.954562115148995
Energy: -1.5920875031553068
Energy: -1.9570576204005787
Energy: -1.782218568069177
Energy: -1.9837751650810111
Energy: -1.8902200112402108
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Energy: -1.8858724163007388
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Energy: -1.456696995452301
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Energy: -1.8021840464581027
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Energy: -1.735580854220957
Energy: -1.819897415625333
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Energy: -1.8731956259599611
Energy: -1.822362100935022
Energy: -1.5807099801956719
Energy: -1.907372991969329
Energy: -1.7453570793991038
Energy: -1.8808549047728944
Energy: -1.5594433465179458
Energy: -1.8639370963556712
Energy: -2.288404665506717
Energy: -1.8052459033116952
Energy: -2.1016949461249554
Energy: -1.9187649778050833
Energy: -2.1007803414052746
Energy: -1.9018177858903713
Energy: -2.0018521227848662
Energy: -1.8759328076663189
Energy: -1.9453054651078026
Energy: -1.8686600349547564
Energy: -1.9538411213838967
Energy: -1.8742496130612332
Energy: -1.7377308876241218
Energy: -2.039954173220851
Energy: -1.7525338463773243
Energy: -2.0122414379475875
Energy: -1.6860537424494677
Energy: -2.0089555065666382
Energy: -1.7242651015636974
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Energy: -1.7107543877486613
Energy: -1.8770701059983619
Energy: -1.6735175137935239
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Energy: -1.8418006064563701
Energy: -1.8049630842284856
Energy: -1.7566821537467474
Energy: -1.9013739690181664
Energy: -1.7550757398904933
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Energy: -2.287197047150289
Energy: -1.7776817346681784
Energy: -2.0677669914024004
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Energy: -2.078168503879648
Energy: -1.7924299695916996
Energy: -1.7719537075585772
Energy: -1.946131965112378
Energy: -1.6561367139516578
Energy: -1.8702001518441198
Energy: -1.621061909973666
Energy: -1.8774645809870587
Energy: -1.9498339757663943
Energy: -1.977486751883619
Energy: -1.9424629246026412
Energy: -1.8374649072544003
Energy: -1.925688754149705
Energy: -1.8371853358124823
Energy: -1.9595680941418807
Energy: -1.936659159719373
Energy: -1.870634958694815
Energy: -1.893948737696145
Energy: -1.86932120479982
Energy: -1.9158057278240987
Energy: -1.8051569332613684
Energy: -1.7543091824277226
Energy: -1.8074595101439015
Energy: -1.7483565149880915
Energy: -1.767269327306018
Energy: -1.7517743284581617

minimum gb energy = -2.2907368096414977 eV
minimum distance =  2.35635349177694 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

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Energy: -2.630101795489804
Energy: -2.325044624531552
Energy: -2.6100289713264075
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Energy: -2.2200500895537005
Energy: -2.4517409147004265
Energy: -2.2267449121975353
Energy: -2.340435082936258

minimum gb energy = -3.18998987983613 eV
minimum distance =  2.36963439916255 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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Energy: -3.02277357314569
Energy: -2.890809839037436
Energy: -2.988120348211759
Energy: -3.0027194026153303
Energy: -2.930090465445001
Energy: -3.0391573672279506
Energy: -2.927726185867419
Energy: -2.9535630473718193
Energy: -3.0889945354586383
Energy: -2.878752679615738
Energy: -3.1063290775091916
Energy: -2.9090999933572457
Energy: -2.9017875033450973
Energy: -3.0869877331935474
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Energy: -3.0800668789621763
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Energy: -3.011134358721264
Energy: -3.10984072674522
Energy: -2.9564787160196477
Energy: -3.075614206141956
Energy: -3.070067934230054

minimum gb energy = -3.4967077841917815 eV
minimum distance =  2.35485075136503 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: -1.7167177863493621
Energy: -1.869360968322129
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Energy: -2.1957829913335978
Energy: -1.8793104442153878
Energy: -2.1649425741864894
Energy: -1.8862891462549307

minimum gb energy = -2.5679611074106834 eV
minimum distance =  2.34986592783283 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

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Energy: -0.09978083131398491
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Energy: -0.09978083131398491
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Energy: -0.09978083131398491
Energy: 0.029558953241719747
Energy: -0.09978083131398491
Energy: 0.029558953241719747
Energy: -0.09978083131398491

minimum gb energy = -0.1026656367865393 eV
minimum distance =  2.45059253090531 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: -1.5628490233223962
Energy: -1.4761004616573121
Energy: -1.4938227575029792
Energy: -1.4725453437556177
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Energy: -1.6493127781405954
Energy: -1.5998202017088097
Energy: -1.6363962799434393
Energy: -1.640798983325533
Energy: -1.7092752472690576
Energy: -2.0253440077284477
Energy: -1.690280942018926
Energy: -3.510858361838121
Energy: -1.7362201152133643
Energy: -1.496548462860153
Energy: -1.8995095852575419
Energy: -1.592653287967594
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Energy: -1.5782680411900456
Energy: -1.9089188151394434
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Energy: -2.2361229170926213
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Energy: -3.116239381835933
Energy: -1.47905907767726
Energy: -1.8759709189693163
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Energy: -2.0853411771914776
Energy: -1.4738003438144933
Energy: -2.3885392529896845
Energy: -1.5655453164146704
Energy: -1.5026172767030528
Energy: -1.6622806002039807
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Energy: -1.750915804461621
Energy: -1.6390220795266475
Energy: -1.7309208182820515
Energy: -3.3693219590277605
Energy: -1.740226179181336
Energy: -2.4835885984480717
Energy: -1.7732066997515326
Energy: -3.130199228073664
Energy: -1.7118739201858981
Energy: -2.6181824997239973
Energy: -1.4310824505207298
Energy: -1.7689935463076392
Energy: -1.4314861764599105
Energy: -1.6560730768693084
Energy: -1.4495296147018502
Energy: -2.02780699846797
Energy: -3.072962453481318
Energy: -1.7274633608885537
Energy: -1.6777506096517012
Energy: -1.9950007198807937
Energy: -1.4084657414652493
Energy: -3.9110825604416086
Energy: -1.5755192770203572
Energy: -4.068946750791211
Energy: -1.5334146851088717
Energy: -3.0044870289683683
Energy: -1.544123624557207
Energy: -1.6327021322253314
Energy: -1.4403936055040094
Energy: -1.5394182118177353
Energy: -1.6542138331422576
Energy: -1.7222176937037277
Energy: -1.5730212294158248

minimum gb energy = -4.068946750791211 eV
minimum distance =  2.35163095595338 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: -3.731396303251439
Energy: -2.331444507816712
Energy: -4.142781941378966
Energy: -2.1524002750489255
Energy: -3.7408667517009997
Energy: -2.1899588982207687
Energy: -4.355425588162995
Energy: -5.410086079324179
Energy: -4.681878999241591
Energy: -5.190341697365033
Energy: -4.463291906691924
Energy: -5.019932716788883
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Energy: -2.351987993579134
Energy: -4.6377245210490505
Energy: -5.181124438158003
Energy: -2.7360976340234373
Energy: -5.218430492764988
Energy: -5.499538158008735
Energy: -2.7475151301654592
Energy: -5.402226568538279
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Energy: -5.496181507608118
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Energy: -3.652352317392662
Energy: -4.706274159578265
Energy: -4.389579435157276
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Energy: -4.029698963724738
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Energy: -2.6859048355166344
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Energy: -2.4841579839356087
Energy: -3.5697740781059366
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Energy: -3.4845544408100757
Energy: -5.236701984353295
Energy: -2.396764049972605
Energy: -5.215497759550324
Energy: -2.491155941234352
Energy: -5.364072166770688
Energy: -5.287066586075466
Energy: -3.2747053246437696
Energy: -4.685059150199002
Energy: -3.958930243572193
Energy: -4.917818884633167
Energy: -2.563267312808545
Energy: -4.160863796107844
Energy: -2.8292957723238787
Energy: -3.2950933076310682
Energy: -2.8779149373050634
Energy: -4.245666114283122
Energy: -2.5089649165078285
Energy: -2.0658933708964584
Energy: -5.348311374947309
Energy: -2.8807413103452726
Energy: -5.0881910584552745
Energy: -3.020575743298634
Energy: -4.9858850593073925

minimum gb energy = -5.972264101282053 eV
minimum distance =  2.40238212917963 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: -2.5900656735166128
Energy: -1.9117583123585116
Energy: -2.4485527918906023
Energy: -1.7737714377682443
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Energy: -2.1305339975537683
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Energy: -2.990509663362592
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Energy: -2.2978124226581174
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Energy: -1.9261238633631874
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Energy: -2.030165198251522
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Energy: -2.1323884260511763
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Energy: -3.4388008629449045
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Energy: -3.4709274241557915
Energy: -2.819702803314758
Energy: -3.3947643136212013
Energy: -2.8561228123295557
Energy: -2.6523669889464054
Energy: -3.3775210779262177
Energy: -2.6052795234086212
Energy: -3.076882897156699
Energy: -2.6509766061918496
Energy: -3.1919556612818822
Energy: -3.888398203374966
Energy: -2.924748394148758
Energy: -3.9056173298943135
Energy: -2.9203183590547384
Energy: -3.8967275668911996
Energy: -2.901511171369695
Energy: -2.2938381291475474
Energy: -2.449326065230998
Energy: -1.9864835667178642
Energy: -2.57105374894834
Energy: -1.9010038323154015
Energy: -2.499305843785152

minimum gb energy = -4.155995595411383 eV
minimum distance =  2.36155868357402 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: -2.2255371424326316
Energy: -1.397621939476523
Energy: -2.1390500580113248
Energy: -1.3964456667795895
Energy: -2.1389275466810966
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Energy: -2.6294127625779073
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Energy: -2.7282931842095532
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Energy: -2.7172246210074116
Energy: -2.4473735532557948
Energy: -2.6915810145572956
Energy: -2.4763294248749235
Energy: -2.402593787561728
Energy: -3.271196147061948
Energy: -1.9543439567658116
Energy: -3.7062878655675093
Energy: -1.8930729920136828
Energy: -3.5064144174699576
Energy: -1.9369613204892386
Energy: -2.059017273627579
Energy: -2.0155541982851073
Energy: -1.993322630625782
Energy: -2.0316964411114413
Energy: -2.0784626492559957
Energy: -1.9648961402949674
Energy: -3.4743518443083823
Energy: -2.953041127603786
Energy: -3.7387944766282075
Energy: -2.8509516027637924
Energy: -3.672067427230542
Energy: -2.957649748229965
Energy: -3.490693427316302
Energy: -1.810983606186645
Energy: -3.740393889257929
Energy: -1.8042470082171542
Energy: -3.8619434556657564
Energy: -1.8120968770054082
Energy: -2.0199483463974346
Energy: -2.5773662162846946
Energy: -1.8954842955788342
Energy: -2.5936377218087423
Energy: -1.9140819263009774
Energy: -2.6260168034823708
Energy: -2.65825816434762
Energy: -2.244053785267
Energy: -3.028313669796335
Energy: -2.3179156504955323
Energy: -2.8111203186820855
Energy: -2.3176003190896926
Energy: -3.393986425449278
Energy: -2.6334556657542048
Energy: -3.418760530411571
Energy: -2.5443995845469467
Energy: -3.3491209610726256
Energy: -2.560909645880047
Energy: -2.713131651955573
Energy: -2.742579154798344
Energy: -2.3813914636287743
Energy: -2.5617485070010075
Energy: -2.394393674391803
Energy: -2.5601354341106006
Energy: -2.8781962302862083
Energy: -2.566540650481148
Energy: -2.6854900055526008
Energy: -2.5270284898662383
Energy: -2.586186096844297
Energy: -2.4641140417455967
Energy: -2.3067782642161183
Energy: -1.837666506950068
Energy: -2.3708384931111115
Energy: -1.903917605032393
Energy: -2.4377923434079536
Energy: -1.779901598814776
Energy: -2.085698385635624
Energy: -2.70649274351001
Energy: -1.9401112712190036
Energy: -2.714482393490221
Energy: -1.991497787609282
Energy: -2.7066615956871525

minimum gb energy = -3.8619434556657564 eV
minimum distance =  2.38133370306415 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: -1.3113687811262682
Energy: -1.0297640801184376
Energy: -1.3723023495776334
Energy: -1.0333244558957742
Energy: -1.3661140632041537
Energy: -1.0424730937124957
Energy: -1.2617441764744761
Energy: -1.2941241080462214
Energy: -1.4169803678783752
Energy: -1.3330145634409918
Energy: -1.480298484494079
Energy: -1.3340477317828725
Energy: -1.3560742102312315
Energy: -1.3385012588591818
Energy: -1.3432282737165082
Energy: -1.348301531098819
Energy: -1.2685070988291383
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Energy: -1.4749549226518983
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Energy: -1.4423173475986497
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Energy: -1.3574084777311999
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Energy: -1.2011884441529848
Energy: -1.438032677491601
Energy: -1.3837258070614373
Energy: -1.3654718370217878
Energy: -1.2322456550480179
Energy: -1.3482518477436387
Energy: -1.2917049505933338
Energy: -1.343042635295641
Energy: -1.477172716502304
Energy: -1.3145935500587551
Energy: -1.4251039384572857
Energy: -1.27772625523894
Energy: -1.4123701628033534
Energy: -1.2280373132973486
Energy: -1.3093056145845507
Energy: -1.4804950684590377
Energy: -1.2131264911976467
Energy: -1.4727309671086917
Energy: -1.3388985434771583
Energy: -1.4726344943106457
Energy: -1.431096500475285
Energy: -1.452911938425237
Energy: -1.4891836126839935
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Energy: -1.4113506697657943
Energy: -1.323497001739706
Energy: -1.2429005690230872
Energy: -1.2457037653350553
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Energy: -1.3359514139704833
Energy: -1.2816059129974673
Energy: -1.3423732571002611
Energy: -1.328434993402323
Energy: -1.4843925894562982
Energy: -1.3057985191144672
Energy: -1.5135937215314472
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Energy: -1.1512059772337009
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Energy: -1.4090166668881579
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Energy: -1.3051395835876192
Energy: -1.3232933161036289
Energy: -1.2352369490098227
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Energy: -1.3492027253931647
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Energy: -1.4768201901447113
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Energy: -1.3185478300763385
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Energy: -1.3318320053363257
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Energy: -1.3202370254306472
Energy: -1.2744282098689523
Energy: -1.4479441721849076
Energy: -1.4240434629153278
Energy: -1.3952297996496454
Energy: -1.4643482091199875
Energy: -1.3909907663788894
Energy: -1.473208942421087
Energy: -1.6406019573560076
Energy: -1.324612953834214
Energy: -1.4267349457038383
Energy: -1.3081629836813373
Energy: -1.4270689400361591
Energy: -1.3118714474763686
Energy: -1.2845435423537197
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Energy: -1.302355568482945
Energy: -1.3388277048473245
Energy: -1.3474883462027263
Energy: -1.3209994207319227
Energy: -1.3834548239331828
Energy: -1.3338889046827556
Energy: -1.3867639436333825
Energy: -1.3354317661916464
Energy: -1.3444789276950657
Energy: -1.3363079265396747
Energy: -1.415317476730957
Energy: -1.271379195790711
Energy: -1.316250320234215
Energy: -1.238280849982475
Energy: -1.3197308504337735
Energy: -1.1896073784978238
Energy: -0.9092360190647852
Energy: -1.252337527953421
Energy: -1.824983527248083
Energy: -1.320532253955786
Energy: -1.8574381749629305
Energy: -1.3179688112887276
Energy: -1.4633896320716935
Energy: -1.3703953381641036
Energy: -1.3085822478332683
Energy: -1.3557436535650416
Energy: -1.3613343502855395
Energy: -1.3645878475129203
Energy: -1.438525649737636
Energy: -1.407603517223027
Energy: -1.3993504755721113
Energy: -1.4137261119008346
Energy: -1.4436856511594383
Energy: -1.3909716006481052
Energy: -1.2418255250537162
Energy: -1.4369940865755342
Energy: -1.2985164199297654
Energy: -1.4272931968638873
Energy: -1.2340246161893624
Energy: -1.437125023520734
Energy: -1.452975692813123
Energy: -1.3041422807809893
Energy: -1.430391032900752
Energy: -1.2476038884246035
Energy: -1.4199027951056948
Energy: -1.373355018378489
Energy: -1.4191063122981575
Energy: -1.375039538193041
Energy: -1.2707391108312853
Energy: -1.3063139033919486
Energy: -1.3139088973353423
Energy: -1.4135766088682047

minimum gb energy = -1.9313357928761328 eV
minimum distance =  2.34821065763043 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: -1.841889645179399
Energy: -1.1606178103730596
Energy: -1.9320436883162004
Energy: -1.150052897348478
Energy: -1.9319856877664277
Energy: -1.1801970048366346
Energy: -1.8406459635614683
Energy: -1.3219822699937596
Energy: -1.9321050556493278
Energy: -1.3012573509778185
Energy: -1.9319467602059992
Energy: -1.3049921387266505
Energy: -1.2415019862456684
Energy: 0.6278970975491678
Energy: -1.3732352379781623
Energy: 0.6278970975460829
Energy: -1.32330692933699
Energy: 0.6278970975429979
Energy: 0.11158890774783876
Energy: -1.2657556439468525
Energy: 0.11148759196233382
Energy: -1.2834708737993048
Energy: 0.09110770305689994
Energy: -1.1798892052833567
Energy: -1.156079791113932
Energy: 0.6272738529826544
Energy: -1.3248173367671678
Energy: 0.6272738529754561
Energy: -1.325145137551047
Energy: 0.627273852968258
Energy: -1.8714084387071757
Energy: -1.9009620964758631
Energy: -1.9319186821571768
Energy: -1.9007342635885969
Energy: -1.9318980586940229
Energy: -1.901073580259472
Energy: -1.8119831467994338
Energy: -1.1581120179465523
Energy: -1.931748042158236
Energy: -1.1473413861775472
Energy: -1.9321431114712
Energy: -1.1517240894317073
Energy: -1.5545488526343973
Energy: -1.2691131192687177
Energy: -1.9321099540054336
Energy: -1.2962494698032934
Energy: -1.9319856136430504
Energy: -1.3038737190963794
Energy: -1.3681331202702158
Energy: 0.6278970975471112
Energy: -1.3640106629419122
Energy: 0.6278970975450546
Energy: -1.3229977124341092
Energy: 0.6278970975512245
Energy: 0.11158869054578588
Energy: -2.1528824348741162
Energy: 0.11145589895179016
Energy: -2.153024746564483
Energy: 0.07715524505976351
Energy: -2.152885171431709
Energy: -1.0288574952004157
Energy: 0.6272738529775128
Energy: -1.370237451304553
Energy: 0.6272738529775128
Energy: -1.3248691041852745
Energy: 0.627273852991909
Energy: -1.8462706535561018
Energy: -1.9009076298049064
Energy: -1.9319885037623368
Energy: -1.9010893723463027
Energy: -1.9321068945654312
Energy: -1.9010812451554868
Energy: -1.7489958106181194
Energy: -1.1565323270510106
Energy: -1.9320009880396731
Energy: -1.1495919190809434
Energy: -1.9319443702382229
Energy: -1.180963037953989
Energy: -1.6221548362810063
Energy: -1.2123801413753206
Energy: -1.9322585004441972
Energy: -1.3048094999859172
Energy: -1.9291506378384935
Energy: -1.3039104845077825
Energy: -1.3558763362992219
Energy: 0.6278970975450546
Energy: -1.3245504873087501
Energy: 0.6278970975491678
Energy: -1.323193952249596
Energy: 0.6278970975471112
Energy: 0.11158511488591755
Energy: -2.1529027621470656
Energy: 0.11148166657604015
Energy: -2.1529436815922387
Energy: 0.0932054171000209
Energy: -2.152722696751626
Energy: -1.19041805405456
Energy: 0.6272738529754561
Energy: -1.325003752637536
Energy: 0.6272738529703147
Energy: -1.3249356969043558
Energy: 0.6272738529569466

minimum gb energy = -2.153024746564483 eV
minimum distance =  2.32145165180805 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: -2.040206742075709
Energy: -1.9798963117872301
Energy: -2.0497295418871664
Energy: -1.9764481183947993
Energy: -2.0506438740182493
Energy: -1.9544521554707923
Energy: -1.9355942481812984
Energy: -1.747025944062042
Energy: -1.9711767109016796
Energy: -1.9612695160524571
Energy: -1.974434549329786
Energy: -1.819972631828198
Energy: -1.8091083828172774
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Energy: -1.8720442768711871
Energy: -1.9238050630009789
Energy: -1.828654599142161
Energy: -1.7988382036871806
Energy: -1.9900210333330834
Energy: -1.553356307328344
Energy: -2.0656577446668742
Energy: -1.47220133133945
Energy: -2.0519807166397617
Energy: -1.4260295099442806
Energy: -1.8490006404659072
Energy: -1.895966863659621
Energy: -1.777953080048143
Energy: -2.0208252435024656
Energy: -1.8777216329328614
Energy: -1.9807440509347292
Energy: -2.0455232117252415
Energy: -1.921437406647447
Energy: -1.8847994231931213
Energy: -1.9340062872003916
Energy: -1.940935205622901
Energy: -2.002971370899426
Energy: -1.996586350627029
Energy: -1.6672612450811135
Energy: -2.059641945675389
Energy: -1.6876112269617436
Energy: -2.0510987363876434
Energy: -1.6475262896697256
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Energy: -2.1902833306000096
Energy: -2.0016894324552297
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Energy: -1.879502000751061
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Energy: -1.8601383281601542
Energy: -1.9145429517326698
Energy: -2.185494993481111
Energy: -1.8348369451241342
Energy: -2.1083503075685437
Energy: -1.675539324614184
Energy: -2.116900974937621
Energy: -1.7284330163673645
Energy: -1.9243852891414512
Energy: -1.7378566234489856
Energy: -1.8731279903509184
Energy: -1.7136728681047224
Energy: -1.8650178189899898
Energy: -1.9723870407271087
Energy: -1.7894414604314879
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Energy: -2.0932838584877413
Energy: -1.8158600671932255
Energy: -1.7929507084185372
Energy: -1.9085339466766773
Energy: -1.7845055535190655
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Energy: -1.7633049369043032
Energy: -1.8122545381105206
Energy: -1.7521577030324207
Energy: -1.937635682268865
Energy: -1.781788312719682
Energy: -2.0274882883306367
Energy: -1.7871464649337834
Energy: -2.0813292418247387
Energy: -2.075299453705339
Energy: -1.8202783000129643
Energy: -1.8831434573758918
Energy: -2.1541543081425134
Energy: -1.9148169317553851
Energy: -2.1784356166047467
Energy: -1.8445005036064976
Energy: -2.0038142208799914
Energy: -1.8506919728122113
Energy: -2.046573292098267
Energy: -2.0567528214990554
Energy: -2.1462961941054943
Energy: -1.6530170924062662
Energy: -1.8824455794788266
Energy: -1.6628885104129736
Energy: -1.9341407738122334
Energy: -1.6914328522480828
Energy: -1.9638920387470407
Energy: -2.0774395219684827
Energy: -2.0490914370012523
Energy: -2.0098752568785656
Energy: -1.998734395232504
Energy: -2.0327765752581604
Energy: -1.9403134667919115
Energy: -1.988681475537219
Energy: -1.8919153226363856
Energy: -1.7653364469319623
Energy: -1.9793027843038926
Energy: -1.907983529074439
Energy: -1.949359490888482
Energy: -2.055351771591938
Energy: -2.1153223386404933
Energy: -2.1101273324272
Energy: -2.0531923340718943
Energy: -2.3233247373132127
Energy: -1.9846938918782369

minimum gb energy = -2.3233247373132127 eV
minimum distance =  2.36067549729741 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: -1.3808497739618475
Energy: -1.411315533936969
Energy: -1.5237179972376775
Energy: -1.5409113214701688
Energy: -1.590422843744647
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Energy: -1.4884252790797303
Energy: -1.5540776585577036
Energy: -1.330020156893327
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Energy: -2.0432089763475045
Energy: -1.6633976039349998
Energy: -1.3601283094659453
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Energy: -1.1350085770038107
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Energy: -1.214595605935386
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Energy: -1.2250013713803196
Energy: -1.7252847997536769
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Energy: -1.7224823841955277
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Energy: -1.4663536071571914
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Energy: -1.5395750133411694
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Energy: -1.6450651112937138
Energy: -1.8113065921908942
Energy: -1.6080733001261396
Energy: -1.4601748300345831
Energy: -1.5622582624721215
Energy: -1.6281280868908259
Energy: -1.5696791672614094
Energy: -1.6198493607255224
Energy: -1.4446652140982745
Energy: -1.4673682858318036
Energy: -1.4313333962488064
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Energy: -2.339380516942442
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Energy: -1.4184095090738806
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Energy: -1.2950918291218882
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Energy: -1.2755748382053187
Energy: -1.5023894337327257
Energy: -1.664878798834312
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Energy: -1.5575512059827887
Energy: -1.6004554595056901
Energy: -1.539321694337693
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Energy: -1.5213336909368989
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Energy: -1.9638647342072328
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Energy: -1.9216930425899585
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Energy: -1.5050197327994714
Energy: -1.4438694090742439
Energy: -1.4450213885984071
Energy: -1.4572008547062587

minimum gb energy = -2.339380516942442 eV
minimum distance =  2.35388730914236 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

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Energy: -1.0047753999908282
Energy: -1.2059691145833722
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Energy: -0.9709047473808888
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Energy: -0.9693149879910999
Energy: -1.1789602055798554
Energy: -0.8982221341228894
Energy: -0.9462859713699451
Energy: -1.1413272761253024
Energy: -0.9085136055156413
Energy: -1.1712150993991404
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Energy: -0.8616986180817291
Energy: -1.0203103401365001
Energy: -0.8556534286449561
Energy: -1.0630360133693386
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Energy: -0.9350859181695985
Energy: -0.9871006867499227
Energy: -1.0500291764704168
Energy: -0.9780723716092466
Energy: -1.0145585559455153
Energy: -1.1046182947580354
Energy: -0.8972019919442447
Energy: -0.8856579643805811
Energy: -1.0260105832376563
Energy: -0.8993495642352757
Energy: -1.0396272274229803
Energy: -1.0193679024972178
Energy: -0.9880211545410821
Energy: -1.0045775389348661
Energy: -1.0075308619368566
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Energy: -1.0636698659299972
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Energy: -1.0010047132030202
Energy: -0.8579385594564609
Energy: -1.0011392054399395
Energy: -1.0176620083051877
Energy: -1.0726767031541642

minimum gb energy = -1.4316580919641932 eV
minimum distance =  2.33790535762921 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: -0.3528379109580645
Energy: -1.0404018547520157
Energy: -0.82141703990587
Energy: -1.0391095884787473
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Energy: -0.9265089331707693
Energy: -1.2756373085917097
Energy: -1.1711456036833248
Energy: -1.2180854614804846
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Energy: -1.2832486671973993
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Energy: -1.215003041752406
Energy: -1.3971435535374004
Energy: -1.1376767124721106
Energy: -1.2521970740225858
Energy: -1.31955026301824
Energy: -1.2229895265688215
Energy: -1.1959982338579684
Energy: -0.19386030447719768
Energy: -1.4750185966446663
Energy: -0.14526384467133505
Energy: -1.1989248917382422
Energy: -0.19992804469826228
Energy: -1.7114744817410588
Energy: -1.074328098838495
Energy: -1.400058995420568
Energy: -1.1589805923912937
Energy: -1.4039189842232704
Energy: -1.1508190658385642
Energy: -1.3233206541872684
Energy: -1.0691483651414482
Energy: -1.2904968272927708
Energy: -1.154174489025571
Energy: -1.2733891998024203
Energy: -1.1304163169872843
Energy: -1.1283316661111364

minimum gb energy = -2.11778920336718 eV
minimum distance =  2.34446543029066 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.018359986916871962
Energy: 0.7220799039375141
Energy: 0.018359986916425774
Energy: 0.7220799039331514
Energy: 0.018359986916425774
Energy: 0.7220799039335976
Energy: 0.019149564945716065
Energy: -4.379780629652734
Energy: 0.019149564945716065
Energy: -4.379780629652288
Energy: 0.019149564945716065
Energy: -4.379780629652734
Energy: -1.8488940733446357
Energy: -4.379996658791753
Energy: -1.79565831068564
Energy: -4.379996658791306
Energy: -1.8796387648900525
Energy: -4.379996658791753
Energy: 0.019149564945716065
Energy: -4.379780629652288
Energy: 0.019149564945319456
Energy: -4.379780629652288
Energy: 0.019149564945716065
Energy: -4.379780629652734

minimum gb energy = -4.379996658791753 eV
minimum distance =  2.46104608529128 Angstroms
sigma value = 1