Model name: model_name=MEAM_LAMMPS_EtesamiAsadi_2018_Fe__MO_549900287421_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.608429037034512
cohesive_energy=4.255447061354489
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018677759897241963
Energy: 0.35211903778945775
Energy: 0.35211903779090853
Energy: 0.018677759897241963
Energy: 0.35211903779090853
Energy: 0.35211903778945775
Energy: 0.018677759897241963
Energy: 0.35211903779090853
Energy: 0.35211903779090853
Energy: 0.018677759897241963
Energy: 0.35052494824275054
Energy: 0.021313975581687895
Energy: 0.35064852899395915
Energy: 0.3505249482412997
Energy: 0.021313975583138675
Energy: 0.35064577289022997
Energy: 0.35052494824275054
Energy: 0.021313975581687895
Energy: 0.35064658056666
Energy: 0.3505249482442013
Energy: 1.0164993510973566
Energy: 0.019282862294030957
Energy: 0.019282862294030957
Energy: 1.0164993510973566
Energy: 0.019282862294030957
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Energy: 1.2233199948676494
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Energy: 0.019282862294030957
Energy: 1.6720627980589933
Energy: 0.35052494824275054
Energy: 0.3506453700003964
Energy: 0.021313975581687895
Energy: 0.3505249482442013
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Energy: 0.35064560772844877
Energy: 0.021313975581687895
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Energy: 0.018677759898692744
Energy: 0.35211903779090853
Energy: 0.35211903779090853
Energy: 0.018677759898692744
Energy: 0.35211903778945775
Energy: 0.35211903778945775
Energy: 0.018677759898692744
Energy: 0.35211903778945775
Energy: 0.35211903778945775
Energy: 0.018677759898692744
Energy: 0.35052494824275054
Energy: 0.021313975583138675
Energy: 0.3506483250454082
Energy: 0.35052494824275054
Energy: 0.021313975581687895
Energy: 0.350644798913651
Energy: 0.35052494824275054
Energy: 0.021313975583138675
Energy: 0.3506469965497506
Energy: 0.3505249482442013
Energy: 1.0164993510973566
Energy: 0.019282862294030957
Energy: 0.019282862294030957
Energy: 1.0164993510973566
Energy: 0.019282862294030957
Energy: 0.019282862294030957
Energy: 1.2233200058727394
Energy: 0.019282862294030957
Energy: 0.019282862294030957
Energy: 1.6720627980575427

minimum gb energy = 0.018677759897241963 eV
minimum distance =  2.20177913773524 Angstroms
sigma value = 3


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

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Energy: -0.8773916199869514

minimum gb energy = -1.2445040055784495 eV
minimum distance =  2.31621692376889 Angstroms
sigma value = 75


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

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minimum gb energy = 0.5184955027763294 eV
minimum distance =  2.21381976901485 Angstroms
sigma value = 105


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

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Energy: 1.1021011405782075
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Energy: 0.9222058359598863
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Energy: 0.9617384520066034
Energy: 0.8831894197300746
Energy: 0.8677615152548742
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Energy: 0.8677615152509618
Energy: 0.9617384520046472
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Energy: 0.867761515252918
Energy: 0.9617384520066034
Energy: 0.8119555485296547
Energy: 1.019594881116601
Energy: 0.9109950076742123
Energy: 0.8119555485296547
Energy: 1.019541308087261
Energy: 0.9109950076722562
Energy: 0.8119555485276985
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Energy: 0.9109950076722562
Energy: 0.8119555485276985
Energy: 0.9788338816949602
Energy: 1.0124810870170966
Energy: 1.0052372034531996
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Energy: 1.0125816584456864
Energy: 1.0052372034551558
Energy: 0.9788338816949602
Energy: 1.0124810870190528
Energy: 1.0052372034551558
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Energy: -0.0862907384362135
Energy: 0.9414849227261164
Energy: 1.0580334064190162
Energy: -0.08629073766777023
Energy: 0.9414849227261164
Energy: 1.0580334064170598
Energy: -0.08629074069075246
Energy: 0.9414849227241603
Energy: 1.0580334064190162
Energy: -0.08629073752891336
Energy: 0.9708180419850342
Energy: 1.0849328501148847
Energy: 1.014988150945715
Energy: 0.9708180419850342
Energy: 1.0989092114479129
Energy: 1.014988150945715
Energy: 0.9708180419869903
Energy: 1.0849328501148847
Energy: 1.014988150945715
Energy: 0.9708180419850342
Energy: 1.0409805605926599
Energy: 0.9841386746994365
Energy: 1.1283670676884008
Energy: 1.0409805605926599
Energy: 0.9815459686444385
Energy: 1.1283670676864446
Energy: 1.0409805605926599
Energy: 0.9841386746994365
Energy: 1.1283670676864446
Energy: 1.0409805605926599
Energy: 0.15061934977823332
Energy: 0.9592357115119708
Energy: 1.0102731113828378
Energy: 0.15061934975475852
Energy: 0.9592632366337245
Energy: 1.0102731113828378
Energy: 0.15061934973519622
Energy: 0.9592357115080584
Energy: 1.0102731113828378
Energy: 0.15061934971371327

minimum gb energy = -0.7404663813967971 eV
minimum distance =  2.3199175902073 Angstroms
sigma value = 165


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

Energy: 1.0137241985914882
Energy: 0.9987875634188441
Energy: 0.9987432945245555
Energy: 1.0137241985894732
Energy: 0.9987959677569659
Energy: 0.9987450415379431
Energy: 1.0137241985914882
Energy: 0.998796017991078
Energy: 0.9987426371611251
Energy: 1.013724198590145
Energy: 1.0185734898951553
Energy: 1.0259577922601564
Energy: 1.0527682729813308
Energy: 1.0185734898964987
Energy: 1.025957792258813
Energy: 1.0527682732190091
Energy: 1.0185734898951553
Energy: 1.0259577922608278
Energy: 1.0527682733358033
Energy: 1.0185734898964987
Energy: 0.965286321363276
Energy: 0.9890655139731928
Energy: 0.9457329804897938
Energy: 0.9652859862530073
Energy: 0.9890655139738643
Energy: 0.9457329804904653
Energy: 0.965286824495519
Energy: 0.9890655139731928
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Energy: 0.9652862090697983
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Energy: 1.0186536959326138
Energy: 1.0242021589066883
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Energy: 1.0136205360985941
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Energy: 1.0242021589066883
Energy: 1.0136205360999375
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Energy: 1.0308770926461481
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Energy: 0.9700373536841673
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Energy: 1.0247784651579661
Energy: 0.9994047368818706
Energy: 1.0571598097773727
Energy: 1.0247784651599807
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Energy: 1.057159809778716
Energy: 1.0247784651586378
Energy: 0.9994047368946306
Energy: 1.0571598097773727
Energy: 1.0247784651593093
Energy: 0.9566264992192867
Energy: 0.969897786163946
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Energy: 0.9566264992179435
Energy: 0.969897786165289
Energy: 0.9196907346588918
Energy: 0.9566264992199582
Energy: 0.969897786163946
Energy: 0.9196907346622498
Energy: 0.9566264992179435
Energy: 1.0135012831285015
Energy: 1.0244022701960633
Energy: 1.0191065266528931
Energy: 1.013501283129173
Energy: 1.0244022701947202
Energy: 1.01910652665155
Energy: 1.0135012831285015
Energy: 1.0244022701960633
Energy: 1.0191065266508785
Energy: 1.0135012831285015
Energy: 0.9653351603152507
Energy: 0.9458035224220503
Energy: 0.9889193455839946
Energy: 0.9653351890723351
Energy: 0.9458035224213789
Energy: 0.9889193455860094
Energy: 0.965335134521913
Energy: 0.9458035224213789
Energy: 0.9889193455839946
Energy: 0.965335120740467
Energy: 1.01871238307225
Energy: 1.0524167387644343
Energy: 1.0261525484973775
Energy: 1.0187123830735934
Energy: 1.0524167388060726
Energy: 1.0261525484973775
Energy: 1.0187123830729217
Energy: 1.0524167387953272
Energy: 1.0261525484973775
Energy: 1.0187123830735934
Energy: 1.0137241985914882
Energy: 0.9987959934966382
Energy: 0.9987435834398425
Energy: 1.0137241985908167
Energy: 0.9987933451730259
Energy: 0.9987450601922562
Energy: 1.0137241985914882
Energy: 0.998820384443146
Energy: 0.998743857776273
Energy: 1.013724198590145

minimum gb energy = 0.9196664699383524 eV
minimum distance =  2.32020443187917 Angstroms
sigma value = 41


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

Energy: 1.0188498739160239
Energy: 0.8323420857778202
Energy: 0.8270709953308245
Energy: 1.080185504032659
Energy: 0.8323420857778202
Energy: 0.8270709953308245
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Energy: 0.9249503411146499
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Energy: 0.8602936171068902
Energy: 1.052272075053834
Energy: 0.7600738259485613
Energy: 0.8602936171094959
Energy: 1.0522720750564398
Energy: 0.7600738259459556
Energy: 0.8602936171094959
Energy: 1.0522720750564398
Energy: 0.7600738259485613
Energy: 0.8602936171068902
Energy: 1.024158547802457
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Energy: 0.8439585791265212
Energy: 1.0849967131103702
Energy: 0.9450003061697776
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Energy: 1.0241585477998514
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Energy: 1.0849967131103702
Energy: 0.9383165971128913
Energy: 0.8351611278965515
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Energy: 0.7913267916710017
Energy: 0.9067704259434906
Energy: 0.8170837362145988
Energy: 0.7913267916736074
Energy: 0.8404262590618441
Energy: 0.7985612494307521
Energy: 0.8181960702940407
Energy: 0.8404262590618441
Energy: 0.7985612494333577
Energy: 0.8181960702966464
Energy: 0.8404262590618441
Energy: 0.7985612494307521
Energy: 0.8181960702966464
Energy: 0.8404262590618441
Energy: 0.8321542235178937
Energy: 0.827800654658219
Energy: 1.028448614127061
Energy: 0.8321542235152879
Energy: 0.827800654658219
Energy: 1.0807718350764806
Energy: 0.8321542235152879
Energy: 0.827800654658219
Energy: 1.0284486141244553
Energy: 0.8321542235152879
Energy: 0.7645788082466792
Energy: 0.8714041960873268
Energy: 0.869928144511076
Energy: 0.7645788082466792
Energy: 0.9066551938941045
Energy: 0.8412843099986329
Energy: 0.7645788082466792
Energy: 0.871404196092538
Energy: 0.8699281445136817
Energy: 0.7645788082466792
Energy: 0.7981668639342199
Energy: 0.8746235412319526
Energy: 0.913463968699722
Energy: 0.7981668639316142
Energy: 0.874380757764635
Energy: 0.911329190524618
Energy: 0.7981668639316142
Energy: 0.874623541234511
Energy: 0.9134639686971164
Energy: 0.7981668639316142
Energy: 0.8356233965814497
Energy: 0.8546595895741381
Energy: 0.8559319766209774
Energy: 0.835623396578844
Energy: 0.8544797286190771
Energy: 0.8559319766209774
Energy: 0.835623396578844
Energy: 0.8546595895715323
Energy: 0.8559319766183717
Energy: 0.8356233965814497
Energy: 0.8851272644555574
Energy: 0.7894411988916076
Energy: 0.9044816009951276
Energy: 0.8851272644503461
Energy: 0.7895686608861319
Energy: 0.9044816009977333
Energy: 0.8851272644503461
Energy: 0.7894411988916076
Energy: 0.9044816009977333
Energy: 0.8851272644529518
Energy: 0.8891528324425181
Energy: 0.8346165456942004
Energy: 0.8822458982161809
Energy: 0.8891528324425181
Energy: 0.8346165456915947
Energy: 0.8822458982187865
Energy: 0.8891528324425181
Energy: 0.8277000853639159
Energy: 0.8822458982187865
Energy: 0.8891528324425181

minimum gb energy = 0.7534494402340439 eV
minimum distance =  2.26618310675215 Angstroms
sigma value = 185


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

Energy: 0.8402433350882917
Energy: 0.453430244488128
Energy: 0.461474507206713
Energy: 0.4609230131493389
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Energy: 0.45724205623687025
Energy: 0.568932953755841
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Energy: 0.6664482895198524
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Energy: 0.6325734635042686
Energy: 0.46617341362307535
Energy: 0.4710000715186553
Energy: 0.5314874755481359
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Energy: 0.4362086422090584
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Energy: 0.4670274567470865
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Energy: 0.6627643654253064
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Energy: 0.4534302444875094
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Energy: 0.4888082979086609
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Energy: 0.7399566622441399
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Energy: 0.3891155626593541
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Energy: 0.748794013959937
Energy: 0.4741599289463698
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Energy: 0.7487940139586999
Energy: 0.3891155626587355
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Energy: 0.39964195089505317
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Energy: 0.4386178985464959
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Energy: 0.7399566622425652
Energy: 0.6034286042444137
Energy: 0.6816891110555158
Energy: 0.7399566622425652
Energy: 0.5893886956336849
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Energy: 0.7399566622422841
Energy: 0.6034286042472257
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Energy: 0.7399566622407094
Energy: 0.4745605069345849
Energy: 0.6683397731979648
Energy: 0.7430173776400723
Energy: 0.4745605069339663
Energy: 0.6267358278195491
Energy: 0.7430173776388349
Energy: 0.47456050693334767
Energy: 0.668339773193972
Energy: 0.7430173776397909
Energy: 0.474560506932729
Energy: 0.7487940139624116
Energy: 0.4758378439126594
Energy: 0.4412882942781425
Energy: 0.7487940139595998
Energy: 0.488884547204161
Energy: 0.44128829427533056
Energy: 0.7487940139586999
Energy: 0.4758378439151339
Energy: 0.44128829427690525
Energy: 0.7487940139593184
Energy: 0.520987204392244
Energy: 0.6239760104190432
Energy: 0.4641184661641569
Energy: 0.4688704877057247
Energy: 0.6674901380647739
Energy: 0.46411846616320085
Energy: 0.5209872043888135
Energy: 0.6239760104184247
Energy: 0.46411846616320085
Energy: 0.4688704877060058
Energy: 0.4384460863291008
Energy: 0.4362086422115328
Energy: 0.4551966059789406
Energy: 0.438614378069472
Energy: 0.43627621537966604
Energy: 0.4551966059795593
Energy: 0.43844608632662635
Energy: 0.43620864221029565
Energy: 0.4551966059792219
Energy: 0.43861437806727877
Energy: 0.6201112325858537
Energy: 0.7194004153874846
Energy: 0.4670274567473677
Energy: 0.6627643654292991
Energy: 0.7194004153850102
Energy: 0.4670274567473677
Energy: 0.6201112325870909
Energy: 0.7194004153843915
Energy: 0.467027456744612
Energy: 0.6627643654265435

minimum gb energy = 0.3891155626587355 eV
minimum distance =  2.33418366674856 Angstroms
sigma value = 33


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

Energy: 0.4319735184027294
Energy: 0.7737493455471364
Energy: 0.32177211168513414
Energy: 0.4322255243828869
Energy: 0.7737493455471364
Energy: 0.32177211168513414
Energy: 0.37091262963140437
Energy: 0.7737493455471364
Energy: 0.32177211168513414
Energy: 0.43215843975514756
Energy: 0.7931768358820851
Energy: 0.7315156825183884
Energy: 0.722095457584593
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Energy: 0.722095457584593
Energy: 0.7931768358786893
Energy: 0.37050084779641357
Energy: 0.6827934375750195
Energy: 0.5650832487764433
Energy: 0.37046481666572934
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Energy: 0.5650832487781414
Energy: 0.3704666669766336
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Energy: 0.5650832487781414
Energy: 0.6249656620112201
Energy: 0.824764725352166
Energy: 0.7260129236156997
Energy: 0.881690035668573
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Energy: 0.824764725352166
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Energy: 0.881690035668573
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Energy: 0.3619392311925498
Energy: 0.7206113599267461
Energy: 0.6507999952453207
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Energy: 0.7520418107800667
Energy: -0.05412350461827045
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Energy: 0.7392790878261486
Energy: 0.48396577242735644
Energy: 0.8258421553229449
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Energy: 0.8258421553212469
Energy: 0.7392790878261486
Energy: 0.48396577242735644
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Energy: 0.7392790878278467
Energy: 0.6826542981639768
Energy: 0.39039303103440437
Energy: 0.408622291647433
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Energy: 0.3903930310462905
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Energy: 0.6826542981639768
Energy: 0.732813622283068
Energy: 0.6244578644206837
Energy: 0.735765367571129
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Energy: 0.6241323980070022
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Energy: 0.6241132653741032
Energy: 0.735765367571129
Energy: 0.732813622283068
Energy: 0.7735551680967554
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minimum gb energy = -0.24395649176041265 eV
minimum distance =  2.34026844914449 Angstroms
sigma value = 219


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

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Energy: 0.9548439498766735
Energy: 0.9533515821400076
Energy: 1.1122821992228398
Energy: 0.9548439498777975
Energy: 0.9533515821388838

minimum gb energy = 0.9459021980805065 eV
minimum distance =  2.2875811097932 Angstroms
sigma value = 15


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

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minimum gb energy = 1.0669836257826242 eV
minimum distance =  2.23747168775052 Angstroms
sigma value = 293


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

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Energy: 1.3303172177459954
Energy: 1.1242109276673087
Energy: 1.298982581660253
Energy: 1.3303172177449802
Energy: 1.1242109276675396
Energy: 1.1496711396403736
Energy: 0.9116765888226981
Energy: 1.3055513711807514
Energy: 1.1496711396408812
Energy: 0.9116765888242211
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Energy: 1.1496711396403736
Energy: 0.9116765888234828
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Energy: 1.1496711396411583
Energy: 1.3754223922554663
Energy: 1.2806967410675258
Energy: 1.1235316767141637
Energy: 1.3754223922559738
Energy: 1.2806967410670183
Energy: 1.1235316767136558
Energy: 1.3754223922559738
Energy: 1.2806967410675258
Energy: 1.1235316767141637
Energy: 1.3754223922559738
Energy: 1.2049835837203045
Energy: 1.4362982313330337
Energy: 1.14534395175083
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Energy: 1.2049835837203045
Energy: 1.4362982313328032
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Energy: 1.2049835837203045
Energy: 1.191457489312043
Energy: 1.1532186368861623
Energy: 1.1119230305686738
Energy: 1.1914574893115355
Energy: 1.1532186368910085
Energy: 1.1119230305689507
Energy: 1.191457489312043
Energy: 1.1532186368915158
Energy: 1.1119230305689507
Energy: 1.1914574893115355
Energy: 1.2804664997868551
Energy: 1.2688021760796957
Energy: 1.1249617230643965
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Energy: 1.2804664997876396
Energy: 1.21530315541612
Energy: 1.1668816072982584
Energy: 1.166631222357528
Energy: 1.2153031554158893
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Energy: 1.1666312223578048
Energy: 1.2153031554158893
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Energy: 1.1666312223572972
Energy: 1.2153031554158893
Energy: 1.280907480217757
Energy: 1.124706578223676
Energy: 1.2689987389939312
Energy: 1.2809074802172493
Energy: 1.124706578223953
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Energy: 1.2809074802169726
Energy: 1.124706578223676
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Energy: 1.2809074802167417
Energy: 1.1914211225990774
Energy: 1.1122089814694638
Energy: 1.1530532544216083
Energy: 1.1914211225993545
Energy: 1.112208981469187
Energy: 1.1530532544213312
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Energy: 1.1122089814689562
Energy: 1.1530532544221157
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Energy: 1.2049567206153171
Energy: 1.1453410192231734
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Energy: 1.1453410192231734
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Energy: 1.3754842822254558
Energy: 1.1234715373364943
Energy: 1.2806290985240756
Energy: 1.375484282225225
Energy: 1.1234715373364943
Energy: 1.2806290985240756
Energy: 1.375484282225225
Energy: 1.1234715373364943
Energy: 1.2806290985240756
Energy: 1.375484282225225
Energy: 1.1492552252689683
Energy: 1.3055596332420412
Energy: 0.9127985721048778
Energy: 1.1492552252689683
Energy: 1.305559633242318
Energy: 0.9127985721048778
Energy: 1.1492552252692452
Energy: 1.305559633242318
Energy: 0.9127985721058931
Energy: 1.1492552252689683
Energy: 1.1241607018091235
Energy: 1.3306297028512715
Energy: 1.2990853363326236
Energy: 1.1241607018093545
Energy: 1.3306297028517793
Energy: 1.2990853363326236
Energy: 1.1241607018093545
Energy: 1.3306297028535792
Energy: 1.2990853363326236
Energy: 1.1241607018093545
Energy: 1.315394994267276
Energy: 1.2553204877241668
Energy: 1.2555263826318606
Energy: 1.3153949942667684
Energy: 1.2553204877236595
Energy: 1.2555263826318606
Energy: 1.3153949942667684
Energy: 1.2553204877236595
Energy: 1.2555263826320915
Energy: 1.3153949942665377
Energy: 1.1242109276680472
Energy: 1.2989825816607607
Energy: 1.3303172177457188
Energy: 1.1242109276675396
Energy: 1.2989825816610376
Energy: 1.3303172177459954
Energy: 1.1242109276678163
Energy: 1.2989825816612681
Energy: 1.3303172177449802
Energy: 1.1242109276673087
Energy: 1.1496711396408812
Energy: 0.9116765888262517
Energy: 1.3055513711804743
Energy: 1.1496711396403736
Energy: 0.9116765888247288
Energy: 1.3055513711807514
Energy: 1.1496711396406503
Energy: 0.9116765888257442
Energy: 1.3055513711802438
Energy: 1.1496711396403736
Energy: 1.3754223922564814
Energy: 1.2806967410672487
Energy: 1.1235316767136558
Energy: 1.3754223922559738
Energy: 1.2806967410675258
Energy: 1.1235316767144405
Energy: 1.3754223922564814
Energy: 1.2806967410670183
Energy: 1.1235316767136558
Energy: 1.3754223922557431
Energy: 1.2049835837203045
Energy: 1.4362982313330337
Energy: 1.145343951750553
Energy: 1.2049835837205813
Energy: 1.4362982313333106
Energy: 1.14534395175083
Energy: 1.2049835837203045
Energy: 1.4362982313330337
Energy: 1.145343951750553
Energy: 1.2049835837205813

minimum gb energy = 0.9116765888201598 eV
minimum distance =  2.27898830100812 Angstroms
sigma value = 293


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

Energy: 1.2792217099466012
Energy: 1.2813125970258021
Energy: 1.2813237693702526
Energy: 1.2792217099466012
Energy: 1.2813125970253432
Energy: 1.2813237693707116
Energy: 1.2792217099470602
Energy: 1.2813125970258021
Energy: 1.2813237693702526
Energy: 1.279221709945225
Energy: 1.2769260300769163
Energy: 1.279269320942193
Energy: 1.2801979052887777
Energy: 1.2769260300778338
Energy: 1.2792693209412758
Energy: 1.2801979052892365
Energy: 1.2769260300773753
Energy: 1.279269320942193
Energy: 1.2801979052887777
Energy: 1.2769260300764576
Energy: 1.2798647363107205
Energy: 1.2799489496695438
Energy: 1.241104802518003
Energy: 1.2798647363111795
Energy: 1.2799489496695438
Energy: 1.2410901542749793
Energy: 1.2798647363107205
Energy: 1.2799489496690848
Energy: 1.2410308371111836
Energy: 1.2798647363111795
Energy: 1.241005553221825
Energy: 1.2799529905010336
Energy: 1.2801026151058656
Energy: 1.241022115526653
Energy: 1.2799529905010336
Energy: 1.280102615104948
Energy: 1.240998703957946
Energy: 1.2799529905010336
Energy: 1.2801026151058656
Energy: 1.2409870029615762
Energy: 1.2801661683584096
Energy: 1.2792840671759254
Energy: 1.276775171658741
Energy: 1.2801661683574923
Energy: 1.2792840671750079
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Energy: 1.2801661683579508
Energy: 1.2792840671759254
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Energy: 1.2801661683579508
Energy: 1.2813125970253432
Energy: 1.2813237693707116
Energy: 1.279221709944766
Energy: 1.2813125970258021
Energy: 1.2813237693702526
Energy: 1.2792217099443075
Energy: 1.2813125970253432
Energy: 1.2813237693707116
Energy: 1.279221709945225
Energy: 1.2813125970258021
Energy: 1.2792693209412758
Energy: 1.2801979052887777
Energy: 1.2769260300769163
Energy: 1.279269320942193
Energy: 1.2801979052892365
Energy: 1.2769260300773753
Energy: 1.2792693209412758
Energy: 1.2801979052887777
Energy: 1.2769260300764576
Energy: 1.279269320942193
Energy: 1.2799489496690848
Energy: 1.2411004778956907
Energy: 1.2798647363111795
Energy: 1.2799489496690848
Energy: 1.2411237004294893
Energy: 1.2798647363116382
Energy: 1.2799489496700023
Energy: 1.2409315628268853
Energy: 1.2798647363107205
Energy: 1.2799489496695438
Energy: 1.279952990500575
Energy: 1.280102615104948
Energy: 1.2409768976391105
Energy: 1.2799529905010336
Energy: 1.280102615105407
Energy: 1.2411130492875044
Energy: 1.279952990500575
Energy: 1.2801026151044892
Energy: 1.24098004687399
Energy: 1.279952990500575
Energy: 1.2792840671750079
Energy: 1.276775171657823
Energy: 1.2801661683584096
Energy: 1.2792840671759254
Energy: 1.276775171658282
Energy: 1.2801661683579508
Energy: 1.2792840671750079
Energy: 1.276775171657823
Energy: 1.2801661683579508
Energy: 1.2792840671759254
Energy: 1.2813237693702526
Energy: 1.2792217099461425
Energy: 1.2813125970248846
Energy: 1.2813237693707116
Energy: 1.279221709945225
Energy: 1.2813125970253432
Energy: 1.2813237693702526
Energy: 1.2792217099466012
Energy: 1.2813125970253432
Energy: 1.2813237693707116
Energy: 1.2801979052892365
Energy: 1.2769260300782925
Energy: 1.2792693209412758
Energy: 1.2801979052887777
Energy: 1.2769260300769163
Energy: 1.279269320942193
Energy: 1.2801979052887777
Energy: 1.2769260300773753
Energy: 1.2792693209412758
Energy: 1.2801979052887777
Energy: 1.2413574834221577
Energy: 1.2798647363116382
Energy: 1.2799489496695438
Energy: 1.2412936711472407
Energy: 1.2798647363116382
Energy: 1.2799489496695438
Energy: 1.2413755826027022
Energy: 1.2798647363116382
Energy: 1.2799489496695438
Energy: 1.241445758615112
Energy: 1.2801026151058656
Energy: 1.2413049899131872
Energy: 1.279952990500575
Energy: 1.280102615105407
Energy: 1.2413032096694423
Energy: 1.279952990500575
Energy: 1.2801026151058656
Energy: 1.2412616488440205
Energy: 1.279952990500575
Energy: 1.280102615104948
Energy: 1.276775171658741
Energy: 1.2801661683579508
Energy: 1.2792840671750079
Energy: 1.276775171658741
Energy: 1.2801661683579508
Energy: 1.2792840671759254
Energy: 1.276775171658741
Energy: 1.2801661683579508
Energy: 1.2792840671750079
Energy: 1.276775171658282
Energy: 1.2792217099466012
Energy: 1.2813125970253432
Energy: 1.2813237693702526
Energy: 1.279221709945684
Energy: 1.2813125970253432
Energy: 1.2813237693707116
Energy: 1.2792217099466012
Energy: 1.2813125970253432
Energy: 1.2813237693707116
Energy: 1.279221709944766
Energy: 1.2769260300764576
Energy: 1.2792693209417345
Energy: 1.2801979052892365
Energy: 1.2769260300778338
Energy: 1.2792693209412758
Energy: 1.2801979052887777
Energy: 1.2769260300769163
Energy: 1.279269320942193
Energy: 1.2801979052887777
Energy: 1.2769260300773753
Energy: 1.2798647363116382
Energy: 1.2799489496695438
Energy: 1.241483629374042
Energy: 1.2798647363116382
Energy: 1.2799489496690848
Energy: 1.2414862666164441
Energy: 1.279864736312097
Energy: 1.2799489496695438
Energy: 1.2414873810044784
Energy: 1.279864736312097
Energy: 1.2413306912454751
Energy: 1.2799529905010336
Energy: 1.2801026151058656
Energy: 1.2414625308708225
Energy: 1.279952990500575
Energy: 1.280102615104948
Energy: 1.2413960660275596
Energy: 1.2799529905010336
Energy: 1.2801026151058656
Energy: 1.2413281016121496
Energy: 1.2801661683584096
Energy: 1.2792840671759254
Energy: 1.2767751716591995
Energy: 1.2801661683584096
Energy: 1.2792840671750079
Energy: 1.276775171658741
Energy: 1.2801661683584096
Energy: 1.2792840671759254
Energy: 1.2767751716591995
Energy: 1.2801661683579508
Energy: 1.2813125970253432
Energy: 1.2813237693711703
Energy: 1.2792217099461425
Energy: 1.2813125970258021
Energy: 1.2813237693707116
Energy: 1.2792217099443075
Energy: 1.2813125970253432
Energy: 1.2813237693707116
Energy: 1.2792217099466012
Energy: 1.2813125970258021
Energy: 1.2792693209412758
Energy: 1.2801979052887777
Energy: 1.2769260300759988
Energy: 1.279269320942193
Energy: 1.2801979052887777
Energy: 1.2769260300778338
Energy: 1.2792693209412758
Energy: 1.2801979052887777
Energy: 1.2769260300764576
Energy: 1.279269320942193

minimum gb energy = 1.2409315628268853 eV
minimum distance =  2.26425757449691 Angstroms
sigma value = 15


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

Energy: 1.2104040825865905
Energy: 1.3355603557790663
Energy: 1.2388907801701732
Energy: 1.1578045987793921
Energy: 1.3355603557811457
Energy: 1.2388907801701732
Energy: 1.210404082584511
Energy: 1.3355603557811457
Energy: 1.2388907801660138
Energy: 1.1578045987793921
Energy: 1.1713294951160378
Energy: 1.1300801974364632
Energy: 1.1334064497431973
Energy: 1.1713294951181175
Energy: 1.130080197434384
Energy: 1.1334064497411178
Energy: 1.1713294951181175
Energy: 1.1300801974364632
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Energy: 1.1713294951181175
Energy: 1.2046190174842528
Energy: 1.190857729198205
Energy: 1.3631881003198365
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Energy: 1.2046190174883742
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Energy: 1.3631881003135977
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Energy: 1.1250245508127024
Energy: 1.1923218640348505
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Energy: 1.262844724609773
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Energy: 1.2067864232819114
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Energy: 1.1925126608581353
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Energy: 1.171090022204904
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Energy: 1.261760433149794
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Energy: 1.1553436414096132
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Energy: 1.1382698975545769
Energy: 1.29665834721844
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Energy: 1.13834504543413
Energy: 1.2966583472205198
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Energy: 1.1382698975587364
Energy: 1.2966583472205198
Energy: 1.2159324079438132
Energy: 1.2052511374197319
Energy: 1.1458875907384134
Energy: 1.233359984501446
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Energy: 1.142103128395948
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Energy: 1.138552624958097
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Energy: 1.1421031283938683
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Energy: 1.2260632167087617
Energy: 1.1780818548690697
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Energy: 1.218480575847342
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Energy: 1.222808274974852
Energy: 1.2561472009773302
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Energy: 1.2228082749727722
Energy: 1.2561472009731707
Energy: 1.1412178231630263
Energy: 1.2228082749727722
Energy: 1.2561472009731707
Energy: 1.1412178231609467
Energy: 1.1656030377348883
Energy: 1.2159441513697666
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Energy: 1.1656030377328088
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Energy: 1.1656030377348883
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Energy: 1.1301271297729107
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Energy: 1.3830912776223978
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Energy: 1.3830912776223978
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Energy: 1.348213208012194
Energy: 1.1694727259869864
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Energy: 1.1585936930666427
Energy: 1.2128627868492523
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Energy: 1.2633973703851649
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Energy: 1.2128627868471726
Energy: 1.2633973703872443
Energy: 1.20243030794714
Energy: 1.131511552354645
Energy: 1.2925210258977164
Energy: 1.2024303079533785
Energy: 1.131511552354645
Energy: 1.2925210258977164
Energy: 1.202430307951299
Energy: 1.1315115523567247
Energy: 1.2925210258935573
Energy: 1.2024303079492193
Energy: 1.2512129630526219
Energy: 1.35317372035707
Energy: 1.1285948573155011
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Energy: 1.3531737203529106
Energy: 1.128594857317581
Energy: 1.2512129630526219
Energy: 1.3531737203529106
Energy: 1.1285948573155011
Energy: 1.2512129630526219
Energy: 1.1723008018728982
Energy: 1.1763747528910782
Energy: 1.1971345922302965
Energy: 1.1717153254047972
Energy: 1.175550040435534
Energy: 1.1971345922302965
Energy: 1.1723008018749779
Energy: 1.1763747528910782
Energy: 1.1971345922302965
Energy: 1.1717153254068768
Energy: 1.1468093258808272
Energy: 1.1689522980151867
Energy: 1.1113736194533288
Energy: 1.1468093258808272
Energy: 1.1689522980151867
Energy: 1.1113736194533288
Energy: 1.1468093258787473
Energy: 1.1689522980151867
Energy: 1.1113736194554087
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Energy: 1.1821385028167986
Energy: 1.199628007997978
Energy: 1.2104473295053477
Energy: 1.1821385028188782
Energy: 1.1996280079958983
Energy: 1.2104473295053477
Energy: 1.1821385028126392
Energy: 1.199628007997978
Energy: 1.2104473295011886
Energy: 1.182138502814719
Energy: 1.1358584373761442
Energy: 1.2069250688439062
Energy: 1.203625640587596
Energy: 1.1358669548481697
Energy: 1.2069250688459856
Energy: 1.1920169003889147
Energy: 1.1358584373761442
Energy: 1.2069250688418265
Energy: 1.2036256405917551
Energy: 1.1358669548481697
Energy: 1.1885095836130743
Energy: 1.1075910500666544
Energy: 1.2251255605613582
Energy: 1.1885095836109947
Energy: 1.1075910500687338
Energy: 1.225125560563438
Energy: 1.1885095836130743
Energy: 1.1075910500708137
Energy: 1.2251255605592786
Energy: 1.1885095836109947
Energy: 1.2484869839378119
Energy: 1.2455609307666582
Energy: 1.2936747520890128
Energy: 1.2484869839357322
Energy: 1.2455609307666582
Energy: 1.293674752093172
Energy: 1.2484869839336525
Energy: 1.2455609307687379
Energy: 1.2936747520890128
Energy: 1.2484869839336525
Energy: 1.2361311260031238
Energy: 1.1301741347162628
Energy: 1.1525568122930816
Energy: 1.2367991931259181
Energy: 1.128111698363249
Energy: 1.1525568122930816
Energy: 1.2361311260031238
Energy: 1.130174134714183
Energy: 1.1525568122910022
Energy: 1.2367991931238387
Energy: 1.1752869572862008
Energy: 1.1344265317610833
Energy: 1.2291915091603516
Energy: 1.1752869572882807
Energy: 1.1344265317610833
Energy: 1.2291915091603516
Energy: 1.1752869572882807
Energy: 1.134426531763163
Energy: 1.2291915091561927
Energy: 1.1752869572882807
Energy: 1.1805492909847652
Energy: 1.1713559192683287
Energy: 1.1840715302313638
Energy: 1.1805492909785265
Energy: 1.1713559192683287
Energy: 1.1840144620885205
Energy: 1.1805492909826858
Energy: 1.1713559192683287
Energy: 1.1840715302334437
Energy: 1.1805492909785265
Energy: 1.1502598219692828
Energy: 1.246478482147564
Energy: 1.2667021813484123
Energy: 1.1502598219692828
Energy: 1.246478482147564
Energy: 1.2667021813525714
Energy: 1.1502598219692828
Energy: 1.2464784821454844
Energy: 1.2667021813484123
Energy: 1.1502598219713622
Energy: 1.208758895477898
Energy: 1.254309710888303
Energy: 1.1864062087505092
Energy: 1.1566980308083172
Energy: 1.2543097108862233
Energy: 1.1864062087525886
Energy: 1.208758895477898
Energy: 1.2543097108820642
Energy: 1.1864062087546685
Energy: 1.1566980308124768
Energy: 1.208364809483517
Energy: 1.2203617842187502
Energy: 1.2362673378708444
Energy: 1.156699545662714
Energy: 1.2203617842187502
Energy: 1.2410363057125693
Energy: 1.2083648094814374
Energy: 1.2203617842187502
Energy: 1.2362673378708444
Energy: 1.156699545664794
Energy: 1.130574289773586
Energy: 1.466354335617048
Energy: 1.1833135534512724
Energy: 1.130574289771506
Energy: 1.466354335617048
Energy: 1.1833135534512724
Energy: 1.130574289773586
Energy: 1.466354335617048
Energy: 1.1833135534512724
Energy: 1.130574289773586
Energy: 1.1875077581291398
Energy: 1.183156725917725
Energy: 1.2965030094822225
Energy: 1.1875077581270599
Energy: 1.183156725917725
Energy: 1.2965030094843024
Energy: 1.1875077581270599
Energy: 1.183156725917725
Energy: 1.296503009486382
Energy: 1.1875077581312192
Energy: 1.1761301436362452
Energy: 1.2671895230259118
Energy: 1.1260945154201025
Energy: 1.1761301436341658
Energy: 1.2671895230259118
Energy: 1.1187720154601954
Energy: 1.1761301436300062
Energy: 1.2671895230259118
Energy: 1.1260945154201025
Energy: 1.1761301436341658
Energy: 1.2492295831648954
Energy: 1.187191426550261
Energy: 1.138308679965257
Energy: 1.2492295831628157
Energy: 1.187191426550261
Energy: 1.1383086799673368
Energy: 1.2492295831648954
Energy: 1.187191426550261
Energy: 1.1383086799694166
Energy: 1.2492295831648954
Energy: 1.2680464617450529
Energy: 1.2676982593511827
Energy: 1.2286043921480136
Energy: 1.2680464617450529
Energy: 1.2676982593470236
Energy: 1.2286043921500933
Energy: 1.268046461749212
Energy: 1.267698259349103
Energy: 1.2286043921480136
Energy: 1.268046461749212
Energy: 1.3050614678619017
Energy: 1.1767004427026584
Energy: 1.1262084000641897
Energy: 1.3050614678619017
Energy: 1.176700442704738
Energy: 1.1262084000662695
Energy: 1.3050614678639816
Energy: 1.176700442704738
Energy: 1.1262084000683492
Energy: 1.3050614678639816
Energy: 1.1486484351238253
Energy: 1.252411954794165
Energy: 1.1936786290583223
Energy: 1.1486484351217456
Energy: 1.2524119547962447
Energy: 1.1936786290604018
Energy: 1.1486484351238253
Energy: 1.2524119547962447
Energy: 1.1936786290624812
Energy: 1.1486484351217456
Energy: 1.2873631346493528
Energy: 1.208960325668965
Energy: 1.1984189013608173
Energy: 1.2873631346451937
Energy: 1.1903345824988043
Energy: 1.170490497363356
Energy: 1.2873631346472731
Energy: 1.2089603256648056
Energy: 1.1984189013608173
Energy: 1.2873631346493528
Energy: 1.4080075541470294
Energy: 1.1180544685644571
Energy: 1.1420657032212866
Energy: 1.4080075541449497
Energy: 1.1180544685623772
Energy: 1.142065703223366
Energy: 1.4080075541491093
Energy: 1.1180544685623772
Energy: 1.142065703223366
Energy: 1.4080075541470294
Energy: 1.1691764910490052
Energy: 1.4932635490184127
Energy: 1.1661159925693112
Energy: 1.1691764910510851
Energy: 1.493263549016333
Energy: 1.1661159925734703
Energy: 1.1691764910490052
Energy: 1.493263549016333
Energy: 1.1661159925713909
Energy: 1.1691764910469258
Energy: 1.1727317641685553
Energy: 1.1385709064164726
Energy: 1.3270143516324842
Energy: 1.1727317641706347
Energy: 1.13858903070809
Energy: 1.3270143516283248
Energy: 1.1727317641685553
Energy: 1.1385709064185523
Energy: 1.3270143516262454
Energy: 1.172731764164396
Energy: 1.1764165985159019
Energy: 1.1403776836833244
Energy: 1.286889326522052
Energy: 1.1764165985179813
Energy: 1.1403776836833244
Energy: 1.286889326522052
Energy: 1.1764165985200608
Energy: 1.1403776836874837
Energy: 1.2868893265199723
Energy: 1.1764165985200608
Energy: 1.1926224954925189
Energy: 1.187528798988265
Energy: 1.1793032134440997
Energy: 1.1926224954904392
Energy: 1.187528798988265
Energy: 1.1793004482297673
Energy: 1.1926224954925189
Energy: 1.187528798988265
Energy: 1.17930321344202
Energy: 1.1926224954925189
Energy: 1.1085587636013938
Energy: 1.1461015418814107
Energy: 1.3442984198592232
Energy: 1.1085587635993142
Energy: 1.1461015418772516
Energy: 1.3442984198613028
Energy: 1.1085587635993142
Energy: 1.1461015418814107
Energy: 1.3442984198592232
Energy: 1.1085587635972345
Energy: 1.1573566260090855
Energy: 1.2500123545039115
Energy: 1.2448211882796845
Energy: 1.1573566260090855
Energy: 1.2500123545059911
Energy: 1.2448211882776048
Energy: 1.1573566260090855
Energy: 1.2500123545059911
Energy: 1.2448211882817641
Energy: 1.1573566260090855

minimum gb energy = 1.1075910500666544 eV
minimum distance =  2.23553733436113 Angstroms
sigma value = 437


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

Energy: 1.0491778239377214
Energy: 1.1438646244558728
Energy: 1.1439321437610852
Energy: 1.0491778239377214
Energy: 1.1438646244535997
Energy: 1.1439321437618428
Energy: 1.0491778239377214
Energy: 1.1438646244566304
Energy: 1.1439321437610852
Energy: 1.049177823938479
Energy: 1.1375172400238174
Energy: 1.025413599697116
Energy: 1.0300781397202061
Energy: 1.1375172400253326
Energy: 1.0254135996963585
Energy: 1.0300781397194485
Energy: 1.1375172400245752
Energy: 1.0254135996963585
Energy: 1.0300781397202061
Energy: 1.1375172400253326
Energy: 1.0958081061842426
Energy: 1.0117066030712398
Energy: 1.2040307105539312
Energy: 1.0958081061850005
Energy: 1.011706603072755
Energy: 1.2040307105531733
Energy: 1.0958081061850005
Energy: 1.0117066030712398
Energy: 1.2040307105539312
Energy: 1.0958081061850005
Energy: 1.1552844371871624
Energy: 1.2782503782572596
Energy: 1.024162831499143
Energy: 1.1552844371886777
Energy: 1.2782503782587746
Energy: 1.024162831500658
Energy: 1.1552844371871624
Energy: 1.278250378258017
Energy: 1.0241628314999003
Energy: 1.1552844371886777
Energy: 1.1830736757962834
Energy: 1.0548121703452336
Energy: 1.190647577014574
Energy: 1.183073675797041
Energy: 1.0548121703452336
Energy: 1.1906475770138163
Energy: 1.1830736757962834
Energy: 1.0548121703452336
Energy: 1.1906475770130585
Energy: 1.183073675797041
Energy: 1.0370145360249292
Energy: 1.14340033086544
Energy: 1.0246126320504738
Energy: 1.0370145360264444
Energy: 1.1434003308669554
Energy: 1.0246126320497164
Energy: 1.0370145360249292
Energy: 1.14340033086544
Energy: 1.0246126320504738
Energy: 1.0370145360256868
Energy: 1.2383588822821057
Energy: 1.117740673339327
Energy: 1.0114755031229754
Energy: 1.180270021708611
Energy: 1.0126139774363445
Energy: 1.0114755031229754
Energy: 1.180270021710126
Energy: 1.0126139774355867
Energy: 1.0114755031229754
Energy: 1.180270021708611
Energy: 1.0216433971763594
Energy: 1.221927695092555
Energy: 1.155483069204723
Energy: 1.0216433971763594
Energy: 1.221927695092555
Energy: 1.1554830692062388
Energy: 1.0216433971763594
Energy: 1.221927695092555
Energy: 1.155483069204723
Energy: 1.0216433971771173
Energy: 1.176593185635727
Energy: 1.0248923123731908
Energy: 1.0586562731908582
Energy: 1.1765931856334542
Energy: 1.0248923123731908
Energy: 1.0586562731908582
Energy: 1.1765931856342116
Energy: 1.0248923123739486
Energy: 1.0586562731908582
Energy: 1.1765931856334542
Energy: 1.1725447904623785
Energy: 1.1411251490357104
Energy: 1.1685282810553732
Energy: 1.1725447904608635
Energy: 1.1411251490349532
Energy: 1.1685282810538578
Energy: 1.1725447904623785
Energy: 1.1411251490357104
Energy: 1.1685282810553732
Energy: 1.1725447904608635
Energy: 1.0753241143300594
Energy: 1.1044352773187818
Energy: 1.1193005941709264
Energy: 1.0753241143293018
Energy: 1.1044352773180242
Energy: 1.0297646366541504
Energy: 1.0753241143293018
Energy: 1.1044352773180242
Energy: 1.0297646366541504
Energy: 1.075324114330817
Energy: 1.0888364501863366
Energy: 1.0175223854212498
Energy: 1.0740761624749857
Energy: 1.0888364501863366
Energy: 1.0175223854204922
Energy: 1.074076162476501
Energy: 1.0888364501863366
Energy: 1.0175223854212498
Energy: 1.0740761624757436
Energy: 1.088836450185579
Energy: 1.0581908040785295
Energy: 1.2960256849613108
Energy: 1.058341963285103
Energy: 1.058190804079287
Energy: 1.296025684960553
Energy: 1.058341963285103
Energy: 1.0581908040777717
Energy: 1.2960256849620682
Energy: 1.0583419632835878
Energy: 1.0581908040785295
Energy: 1.1164805250435286
Energy: 1.0873755454933418
Energy: 1.1550761683922661
Energy: 1.1164805250435286
Energy: 1.0873755454925842
Energy: 1.1550761683930237
Energy: 1.1164805250435286
Energy: 1.0873755454933418
Energy: 1.1550761683937811
Energy: 1.1164805250435286

minimum gb energy = 1.0114755031229754 eV
minimum distance =  2.20203805480936 Angstroms
sigma value = 33