Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2015_CCu__SM_784926969362_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.607383415102959
cohesive_energy=8.271372594254219
mass=63.546
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: -0.07656193340586419
Energy: 4.8634067293946135
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: -0.07656193340586419
Energy: 4.8634067293946135
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: 4.8634067293946135
Energy: -2689.078928455025
Energy: 4.8634067293946135
Energy: -2689.078928455025

minimum gb energy = -2689.078928455025 eV
minimum distance =  2.36789076332106 Angstroms
sigma value = 1


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

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Energy: 6.296136170195866
Energy: -159.4714116419874
Energy: 6.296136170196693
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Energy: -159.85981655645648
Energy: 7.2515619946651135
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Energy: 7.251561994665803
Energy: -155.86017700223698
Energy: -325.9409898239817
Energy: -155.86017700223698
Energy: -325.9409898239817
Energy: -155.86017700223698
Energy: -325.9409898239817
Energy: -319.8745677541382
Energy: 5.58454766026236
Energy: -319.8745677541382
Energy: 5.584547660263048
Energy: -319.8745677541382
Energy: 5.584547660263875
Energy: -154.87095487548908
Energy: 7.137796039577127
Energy: -154.87095487548908
Energy: 7.137796039580848
Energy: -154.87095487548908
Energy: 7.137796039578643
Energy: -321.55162941359725
Energy: -159.991086184242
Energy: -321.55162941359725
Energy: -159.991086184242
Energy: -321.55162941359725
Energy: -159.991086184242
Energy: -326.780536401249
Energy: -325.01950447894194
Energy: -326.780536401249
Energy: -325.0195044789344
Energy: -326.780536401249
Energy: -325.01950447894194

minimum gb energy = -326.780536401249 eV
minimum distance =  2.40860448371066 Angstroms
sigma value = 33


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

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Energy: -748.5624231613252
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Energy: -87.85020149403006
Energy: -370.57851811977866
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Energy: 6.286451655461612
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Energy: 6.286451655470237
Energy: -371.60098788781363
Energy: -86.1800120906561
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Energy: -86.1800120906518
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Energy: -40.98783109029465
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Energy: 6.491678901867788
Energy: -40.98783109029465

minimum gb energy = -748.5624233321236 eV
minimum distance =  2.31749429470179 Angstroms
sigma value = 51


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

Energy: 6.966006650454828
Energy: 4284.981768607518
Energy: 6.966006650455827
Energy: 4284.981768607518
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Energy: -211.7638427078963
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Energy: 6.500670881645178
Energy: -431.89095417182347
Energy: 6.500670881646177
Energy: -431.89095417182244
Energy: 6.500670881645178

minimum gb energy = -863.1582949389813 eV
minimum distance =  2.42000798633775 Angstroms
sigma value = 19


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

Energy: 5.530737623447127
Energy: 5.110144820058034
Energy: 5.5307376234465355
Energy: 5.110144820060405
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Energy: 4.616909356651776
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Energy: 5.736324848218744
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Energy: 6.544425041380278
Energy: 7.45868598793241
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Energy: -512.8651700343714
Energy: 6.142509387278738
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Energy: 5.110144820060405
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Energy: 5.110144820060405
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Energy: 6.141440466432945
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Energy: -1031.6226376731206
Energy: 4.616909356654147
Energy: -1031.6226376731206
Energy: 4.61690935664585
Energy: -1031.6226376731206

minimum gb energy = -1031.6226376731265 eV
minimum distance =  2.32710815491459 Angstroms
sigma value = 27


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

Energy: 4.885706588280142
Energy: 4.791861088116878
Energy: 4.885706588280142
Energy: 4.7918610881183294
Energy: 4.88570658827869
Energy: 4.791861088116878
Energy: -627.7691767690985
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Energy: 4.741139645652353
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Energy: 4.79191323918076
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Energy: 4.79191323918076
Energy: 4.8814258381383775
Energy: 4.79191323918076
Energy: 5.841109293604232
Energy: 4.819291546012167
Energy: 5.841109293602779
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Energy: -629.6169304806592
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Energy: -312.7438969721684
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Energy: -312.0370794182741
Energy: -311.4760847875422
Energy: -312.0370794182756
Energy: -311.4760847875422
Energy: -312.0370794182785

minimum gb energy = -629.6169304806607 eV
minimum distance =  2.39816603497532 Angstroms
sigma value = 9


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

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Energy: 5.1531980782959845
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Energy: 7.8365506016840145
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Energy: 7.8365506016840145
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Energy: -159.86680512012578
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Energy: 4.817748749833961
Energy: -336.4592026622672
Energy: 4.817748749833961
Energy: -336.4592026622632
Energy: 4.817748749833961

minimum gb energy = -707.2214308027063 eV
minimum distance =  2.39997952583045 Angstroms
sigma value = 57


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

Energy: 1.851968351578193
Energy: 1.9037643950634693
Energy: 1.8519683515772647
Energy: 1.90376439506904
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Energy: 1.903764395074611
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Energy: 1.85128664321073
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Energy: 2.515741519002714
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Energy: 2.5157415190045707
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Energy: 1.8505630377468325
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Energy: 1.8505630377449758
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Energy: 1.850584915642118
Energy: 1.9028999761195657
Energy: 1.8505849156430465
Energy: 2.5138647032076884
Energy: 2.513786778408819
Energy: 2.513864703209545
Energy: 2.51378677840789
Energy: 2.5138647032086165
Energy: 2.51378677840789
Energy: 1.8512882202953367
Energy: 5.688439840541402
Energy: 1.8512882202962653
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Energy: 1.8512882202953367
Energy: 5.688439840539544
Energy: 1.8512866432116581
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Energy: 5.688515168910261
Energy: 1.85128664321073
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Energy: 2.5138408070236635
Energy: 2.515741519002714
Energy: 2.5138408070236635
Energy: 2.515741519002714
Energy: 2.5138408070245077
Energy: 2.5157415190054992

minimum gb energy = -808.8702995248427 eV
minimum distance =  2.46982491979164 Angstroms
sigma value = 11


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

Energy: -144.6758594530766
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Energy: -290.7706704176078
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Energy: -290.7706704175873
Energy: -288.7180507349106
Energy: 1621.614794742569
Energy: -288.7180507349106
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Energy: 3221.5037851443158
Energy: -293.71197519080897
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minimum gb energy = -441.3678930735162 eV
minimum distance =  2.37427570147812 Angstroms
sigma value = 41


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

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Energy: 3.940255654897925
Energy: -933.981182177104

minimum gb energy = -933.981182177104 eV
minimum distance =  2.33816018257222 Angstroms
sigma value = 33


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

Energy: -323.51105939980755
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minimum gb energy = -654.7901140431634 eV
minimum distance =  2.31288408355338 Angstroms
sigma value = 67


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

Energy: -545.4316640196212
Energy: 8.034909205029896
Energy: -545.4316640196187
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Energy: -546.142626229537
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Energy: 4.937616508381954
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Energy: 7.823303542841051
Energy: 4.653192377924846
Energy: 7.823303542841051
Energy: 4.653192377922331
Energy: 7.823303542841051

minimum gb energy = -546.5941981501539 eV
minimum distance =  2.5062990508197 Angstroms
sigma value = 3


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

Energy: 8.122298091558399
Energy: -293.83708134053353
Energy: 7.940207424989783
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Energy: -31.476931861268532
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minimum distance =  2.26529280052232 Angstroms
sigma value = 81


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

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minimum distance =  2.35338714331589 Angstroms
sigma value = 43


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

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Energy: 11.05594936832271
Energy: 10.181363665987194
Energy: 11.055949368322132
Energy: 10.181363665987194
Energy: 11.055949368322132

minimum gb energy = -499.14270915456194 eV
minimum distance =  1.83939935156661 Angstroms
sigma value = 57


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

Energy: 5.7113482006844976
Energy: 4.151648768014573
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Energy: 5.547951912258801
Energy: -321.2041352790032
Energy: 5.547951912263283

minimum gb energy = -649.5864074150841 eV
minimum distance =  2.3956116167348 Angstroms
sigma value = 17


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

Energy: 5.985646939398011
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Energy: 5.985646939399067
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Energy: -455.5319376176197
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Energy: -455.5319376176186
Energy: 4.43967969721925

minimum gb energy = -904.3589860711277 eV
minimum distance =  2.378315882558 Angstroms
sigma value = 17


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

Energy: -347.29624146856025
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Energy: 3503.3763423256473
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minimum gb energy = -530.0067750976331 eV
minimum distance =  1.91868968232934 Angstroms
sigma value = 57


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

Energy: -136.01740962332426
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Energy: -561.7536058057208
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Energy: -133.043263829666
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Energy: -283.98296308218005
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Energy: -283.98296308218005
Energy: -285.2283089267387

minimum gb energy = -575.9710557763882 eV
minimum distance =  2.3950028615503 Angstroms
sigma value = 43


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

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Energy: -206.65280914490924
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Energy: -206.65280914490924
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Energy: 6.467904897411025
Energy: 8.793880890304212
Energy: 6.467904897411025
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Energy: 6.467904897411025
Energy: 8.793880890304212
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Energy: -208.18900201766743
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Energy: 5.667110101302582
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Energy: -208.53275234442214
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Energy: -208.53275234442214
Energy: 9.1031071919181
Energy: -207.43875329029868
Energy: -92.61589225935168
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Energy: -92.61589225935168
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Energy: 5.639780819542443
Energy: -204.75130458453165
Energy: 5.639780819542443
Energy: 8.737327337191092
Energy: 5.833398126076077
Energy: 8.737327337191092
Energy: 5.833398126076077
Energy: 8.737327337191092
Energy: 5.833398126076077

minimum gb energy = -208.68933109791794 eV
minimum distance =  2.34065160998677 Angstroms
sigma value = 81


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

Energy: -0.06103501336070904
Energy: 0.15849198727826694
Energy: -0.06103501336070904
Energy: 0.15849198727826694
Energy: -0.06103501336070904
Energy: 0.15849198727826694
Energy: 2.7068742936826067
Energy: -0.05606867007776712
Energy: 2.7068742936826067
Energy: -0.05606867007954498
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Energy: -0.05606867007776712
Energy: 2.706820949359513
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Energy: -0.06103501336070904
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Energy: -0.056068670056432734
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Energy: -0.05777210631505728
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Energy: 0.1584919872800448
Energy: -0.06103501336070904
Energy: 0.1584919872800448
Energy: -0.06103501336070904
Energy: 0.1584919872800448

minimum gb energy = -0.06103501336070904 eV
minimum distance =  2.52656799375176 Angstroms
sigma value = 3


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

Energy: -227.86111158301844
Energy: 4.836334277329907
Energy: -227.86111158301844
Energy: 4.836334277329327
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Energy: -217.7130281489943
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Energy: -229.30173589113554
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Energy: -229.30173589114085
Energy: -228.33140886139216

minimum gb energy = -459.72441126537484 eV
minimum distance =  2.37694810370027 Angstroms
sigma value = 67


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

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Energy: 5.724103267074956
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Energy: -161.28208994429917
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Energy: 3.7463689784620566
Energy: -161.4064938940272
Energy: 3.7463689784666054
Energy: -161.40649389401958

minimum gb energy = -327.8644774760323 eV
minimum distance =  2.29220950178994 Angstroms
sigma value = 33


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

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Energy: -416.6364764670119
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Energy: -205.33930063223374

minimum gb energy = -837.3160318341046 eV
minimum distance =  2.32522223323656 Angstroms
sigma value = 41


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

Energy: 5.607802469489798
Energy: 4.746657006564266
Energy: 5.607802469489798
Energy: 4.746657006565579
Energy: 5.607802469488485
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Energy: 5.787192871903664
Energy: -275.5624598685552
Energy: 5.787192871904978
Energy: -275.5624598685552
Energy: 5.787192871903664

minimum gb energy = -570.2228906007263 eV
minimum distance =  2.34448339581875 Angstroms
sigma value = 11


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

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Energy: 5.797717571767773
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Energy: 5.797717571768926
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Energy: 5.797948321450069
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Energy: 5.939673030165818
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Energy: -119.22861177829286

minimum gb energy = -246.92150847985462 eV
minimum distance =  2.27399706264705 Angstroms
sigma value = 57


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

Energy: 5.5125474588304435
Energy: 5.10750724271264
Energy: 5.5125474588304435
Energy: 5.107507242711614
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Energy: 5.172558235817576
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Energy: 5.5125474588304435
Energy: 5.107507242710588
Energy: 5.5125474588304435
Energy: 5.107507242711614
Energy: 5.5125474588304435
Energy: 5.107507242710588
Energy: 7.147776911278033
Energy: 6.431443092297159
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Energy: 6.431443092295105
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Energy: 6.031613527552597
Energy: 8.545622664480426
Energy: 6.031613527553624
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Energy: 5.728423856051443
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Energy: -890.8343525688535
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Energy: -890.8343525688535
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Energy: -890.8343525688636
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Energy: 5.5125474588304435
Energy: 5.107507242711614
Energy: 7.147776911278033
Energy: 6.431443092296132
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Energy: 6.431443092296132
Energy: 7.147776911278033
Energy: 6.431443092296132
Energy: 6.031613527553624
Energy: 8.545622664480426
Energy: 6.0316135275515705
Energy: 8.545622664480426
Energy: 6.0316135275515705
Energy: 8.545622664480426
Energy: 5.728423856050417
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Energy: 5.728423856053496
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Energy: -890.8343525688636
Energy: 6.031876725623496
Energy: -890.8343525688535
Energy: 6.031876725623496
Energy: -890.8343525688535

minimum gb energy = -893.5485566693997 eV
minimum distance =  2.21598535462287 Angstroms
sigma value = 9


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

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Energy: 7.7146771141054815
Energy: 5.62907773381062
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Energy: 5.62907773381062
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Energy: 5.982777432756923
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Energy: 5.948955242614423
Energy: 1801.3078175980838
Energy: 5.948955242615261
Energy: 1801.3078175980838

minimum gb energy = -361.60557432557846 eV
minimum distance =  2.2090621802222 Angstroms
sigma value = 27


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

Energy: -146.9613784226538
Energy: 5.513102130612183
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Energy: 5.513102130612183
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minimum gb energy = -613.3099923826641 eV
minimum distance =  2.38514250279673 Angstroms
sigma value = 19


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

Energy: 7.842547258707355
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Energy: 9.13549859411535
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minimum gb energy = -524.2345732319943 eV
minimum distance =  2.18719663516317 Angstroms
sigma value = 101


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

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Energy: 6.823988024044046
Energy: -228.98922261604213
Energy: 7.166035558221888
Energy: -462.24598403458833
Energy: 7.1660355582224735
Energy: -462.24598403458833
Energy: 7.1660355582214015
Energy: -462.24598403458833
Energy: 4.741632496229258
Energy: -228.63660816067016
Energy: 4.741632496229258
Energy: -228.6366081606648
Energy: 4.741632496228187
Energy: -228.63660816067016
Energy: -227.31767215827676
Energy: 5.122389651921951
Energy: -227.31767215827676
Energy: 5.122389651920879
Energy: -227.31767215827676
Energy: 5.122389651921367
Energy: -462.2982226182214
Energy: 6.363846517216079
Energy: -462.2982226182214
Energy: 6.363846517216079
Energy: -462.2982226182214
Energy: 6.363846517216666
Energy: 4.671031072154342
Energy: 5.46665612053531
Energy: 4.671031072156487
Energy: 5.466656120533654
Energy: 4.671031072156487
Energy: 5.466656120534725
Energy: -462.9664102437646
Energy: 5.8217020467615805
Energy: -462.9664102437646
Energy: 5.8217020467615805
Energy: -462.9664102437646
Energy: 5.82170204676314
Energy: -229.06505762011798
Energy: 5.185216165885386
Energy: -229.06505762011798
Energy: 5.185216165886459
Energy: -229.06505762011798
Energy: 5.185216165888018
Energy: -463.69226479735875
Energy: 6.195648349808582
Energy: -463.6922647973643
Energy: 6.195648349806438
Energy: -463.69226479735875
Energy: 6.1956483498075094
Energy: -228.71949501460168
Energy: -228.45744390348761
Energy: -228.71949501460168
Energy: -228.45744390348761
Energy: -228.71949501460168
Energy: -228.45744390348761
Energy: -933.4343578224173
Energy: 4.775046056364903
Energy: -933.4343578224173
Energy: 4.775046056365389
Energy: -933.4343578224173
Energy: 4.775046056362173
Energy: -463.53236289303675
Energy: -227.81342807594487
Energy: -463.53236289303675
Energy: -227.81342807594487
Energy: -463.53236289303675
Energy: -227.81342807594487
Energy: 5.145140689862009
Energy: 5.912431658227199
Energy: 5.1451406898614245
Energy: -229.0938252206791
Energy: 5.145140689862009
Energy: 5.912431658226711
Energy: -227.52314912578302
Energy: 5.79878077708786
Energy: -227.52314912578302
Energy: -229.2156695718274
Energy: -227.52314912578302
Energy: 5.79878077708786
Energy: -462.3356955314221
Energy: -463.00235618908505
Energy: -462.33569553141683
Energy: -463.00235618907965
Energy: -462.3356955314221
Energy: -463.00235618907965

minimum gb energy = -933.4343578224173 eV
minimum distance =  2.37807691275602 Angstroms
sigma value = 33


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

Energy: -0.045569796937066566
Energy: 3.8845888792623384
Energy: -0.045569796937066566
Energy: 3.8845888792623384
Energy: -0.045569796937066566
Energy: 3.8845888792623384
Energy: -1901.9416052839156
Energy: 7.4812859670962
Energy: -1901.9416052839156
Energy: 7.4812859670918455
Energy: -1901.9416052839156
Energy: 7.4812859670918455
Energy: 5.28028078200093
Energy: 1.640378748319886
Energy: 5.28028078200093
Energy: 1.6403786216191365
Energy: 5.28028078200093
Energy: 1.6403789258584727
Energy: -1901.9416052839156
Energy: 7.4812859670962
Energy: -1901.9416052839156
Energy: 7.4812859670962
Energy: -1901.9416052839156
Energy: 7.4812859670962

minimum gb energy = -1901.9416052839156 eV
minimum distance =  2.5426413489059 Angstroms
sigma value = 1