Model name: model_name=SNAP_LiHuChen_2018_NiMo__MO_468686727341_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5222107768058777
cohesive_energy=2.8494703186615773
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -2.93166306676502 eV

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

Energy: 0.01423922727396905
Energy: 1.2650116011544468
Energy: 0.8793433049282828
Energy: 1.2650053231532632
Energy: 0.01423922727396905
Energy: 1.2650116011544468
Energy: 1.008596817101669
Energy: 0.723099785694048
Energy: 0.01440200180820946
Energy: 0.35216563051081196
Energy: 0.014423641959111158
Energy: 0.723099785694048
Energy: 0.01440200180820946
Energy: 0.35216563051081196
Energy: 0.01423922727396905
Energy: 1.2650116011544468
Energy: 0.8793433049282828
Energy: 1.2650053231532632
Energy: 0.01423922727396905
Energy: 1.2650116011544468
Energy: 1.008596817101669
Energy: 0.723099785694048
Energy: 0.01440200180820946
Energy: 0.35216563051081196
Energy: 0.014423641959111158
Energy: 0.723099785694048
Energy: 0.01440200180820946
Energy: 0.35216563051081196
Energy: 0.01423922727396905
Energy: 1.2650116011544468
Energy: 0.8793433049282828
Energy: 1.2650053231532632
Energy: 0.01423922727396905
Energy: 1.2650116011544468
Energy: 1.008596817101669
Energy: 0.723099785694048
Energy: 0.01440200180820946
Energy: 0.35216563051081196
Energy: 0.014423641959111158
Energy: 0.723099785694048
Energy: 0.01440200180820946
Energy: 0.35216563051081196

minimum gb energy = 0.01423922727396905 eV
minimum distance =  2.4718258285744 Angstroms
sigma value = 5


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

Energy: 1.5886202713921704
Energy: 1.6374293659257841
Energy: 1.6672857724678847
Energy: 1.6372738142522894
Energy: 1.5886202713921704
Energy: 1.6374293659257841
Energy: 1.6672857724711068
Energy: 1.5146959613764146
Energy: 1.5586931807238893
Energy: 1.6119111974044458
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Energy: 1.5586931807238893
Energy: 1.6119111974044458
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Energy: 1.6402440617276803
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Energy: 1.4736058140914503
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Energy: 1.5117789301175133
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Energy: 1.6403424567886713
Energy: 1.5013090927146449
Energy: 1.5374304330037687
Energy: 1.493928311462388
Energy: 1.6403424567886713
Energy: 1.6489298035322502
Energy: 1.5408374664401419
Energy: 1.6308915370126083
Energy: 1.5733676762420954
Energy: 1.6489298035322502
Energy: 1.5408374664401419
Energy: 1.6308915370126083
Energy: 1.5388258366150496
Energy: 1.4995673870557773
Energy: 1.5967061128423
Energy: 1.5219660343031902
Energy: 1.5388258366150496
Energy: 1.4995673870557773
Energy: 1.596706112845522
Energy: 1.4854154365249674
Energy: 1.5272783446487246
Energy: 1.6589342321190415
Energy: 1.5368158161221
Energy: 1.4854154365249674
Energy: 1.5272783446487246
Energy: 1.6589342321190415
Energy: 1.4925481773834366
Energy: 1.5632785947202859
Energy: 1.6768493609880866
Energy: 1.6131576689885068
Energy: 1.4925481773834366
Energy: 1.5632785947202859
Energy: 1.6768493609880866
Energy: 1.476557257776437
Energy: 1.5309005620307115
Energy: 1.574670828480948
Energy: 1.4931812554201624
Energy: 1.476557257776437
Energy: 1.5309005620307115
Energy: 1.5746708284777262

minimum gb energy = 1.4593763239889477 eV
minimum distance =  2.20058739539121 Angstroms
sigma value = 401


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

Energy: 1.5007321986901196
Energy: 1.6135645252866644
Energy: 1.7158610127445448
Energy: 1.6134762566055167
Energy: 1.5007321986901196
Energy: 1.6135645252866644
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Energy: 1.4753081640426509
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Energy: 1.4752993114488524
Energy: 1.58715584440515
Energy: 1.5990377102656244
Energy: 1.4963349643564547
Energy: 1.4752993114488524
Energy: 1.58715584440515
Energy: 1.5990377102656244
Energy: 1.5395499629613612
Energy: 1.576621407058637
Energy: 1.598304471774415
Energy: 1.4934756864777043
Energy: 1.5395499629613612
Energy: 1.576621407058637
Energy: 1.598304471774415
Energy: 1.5111602859126103
Energy: 1.5013464572423483
Energy: 1.5842836509360405
Energy: 1.555440374690555
Energy: 1.5111602859126103
Energy: 1.5013464572423483
Energy: 1.5842836509360405
Energy: 1.4716527324497393
Energy: 1.496652937585146
Energy: 1.5964526183585528
Energy: 1.556024403269597
Energy: 1.4716527324497393
Energy: 1.496652937585146
Energy: 1.5964526183585528
Energy: 1.4842261101114027
Energy: 1.5647016090167185
Energy: 1.596579690302795
Energy: 1.5660750047777146
Energy: 1.4842261101114027
Energy: 1.5647016090167185
Energy: 1.596579690302795
Energy: 1.5007321986901196
Energy: 1.6135645252866644
Energy: 1.7271070515544693
Energy: 1.6134762566055167
Energy: 1.5007321986901196
Energy: 1.6135645252866644
Energy: 1.7271070515544693
Energy: 1.484249737194401
Energy: 1.566021023733337
Energy: 1.6595151422946852
Energy: 1.5648488288554319
Energy: 1.484249737194401
Energy: 1.566021023733337
Energy: 1.6595151422946852

minimum gb energy = 1.4713462860532762 eV
minimum distance =  2.22216600562328 Angstroms
sigma value = 311


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

Energy: 1.6444983281272554
Energy: 1.6184018328650636
Energy: 1.6748375234609918
Energy: 1.6150970772527584
Energy: 1.6444983281272554
Energy: 1.6184018328650636
Energy: 1.6903073532628083
Energy: 1.5977159362314963
Energy: 1.56124117884404
Energy: 1.67786382367335
Energy: 1.6184543580714768
Energy: 1.5977159362314963
Energy: 1.56124117884404
Energy: 1.67786382367335
Energy: 1.5996947128665209
Energy: 1.6063883169680706
Energy: 1.7009309199232565
Energy: 1.595073584208939
Energy: 1.5996947128665209
Energy: 1.6063883169680706
Energy: 1.711703132468607
Energy: 1.598094902901854
Energy: 1.5620897505741551
Energy: 1.7091021815609395
Energy: 1.610654364342421
Energy: 1.598094902901854
Energy: 1.5620897505741551
Energy: 1.7091021815609395
Energy: 1.6263352179263433
Energy: 1.609549531167552
Energy: 1.721258822505569
Energy: 1.6258476781481654
Energy: 1.6263352179263433
Energy: 1.609549531167552
Energy: 1.721258822505569
Energy: 1.5874145431129092
Energy: 1.5674134547515584
Energy: 1.6573555519228926
Energy: 1.5767282824987234
Energy: 1.5874145431129092
Energy: 1.5674134547515584
Energy: 1.6573555519224703
Energy: 1.5758782827883473
Energy: 1.6647970672415573
Energy: 1.7020412934411762
Energy: 1.5872290477211493
Energy: 1.5758782827883473
Energy: 1.6647970672411352
Energy: 1.7020412934411762
Energy: 1.5775456041344473
Energy: 1.5861074979136867
Energy: 1.7859898697412084
Energy: 1.648695380640624
Energy: 1.5775456041344473
Energy: 1.5861074979136867
Energy: 1.7859898697412084
Energy: 1.5881608180097326
Energy: 1.570486766689238
Energy: 1.6741499492680327
Energy: 1.54467390382969
Energy: 1.5881608180097326
Energy: 1.570486766689238
Energy: 1.6741499492680327
Energy: 1.5792711435726392
Energy: 1.6187431442876672
Energy: 1.7240194072462187
Energy: 1.603028112279748
Energy: 1.5792711435726392
Energy: 1.6187431442876672
Energy: 1.7240194072462187
Energy: 1.6566238072364514
Energy: 1.599220721842847
Energy: 1.709641077569955
Energy: 1.5903551704271672
Energy: 1.6566238072364514
Energy: 1.599220721842847
Energy: 1.709641077569955
Energy: 1.5975487282566756
Energy: 1.6389219790208691
Energy: 1.6742929721168913
Energy: 1.6560841711651126
Energy: 1.5975487282566756
Energy: 1.6389219790208691
Energy: 1.6742929721168913
Energy: 1.5943367255796421
Energy: 1.5664642397061856
Energy: 1.6657402798683763
Energy: 1.5682266697730125
Energy: 1.5943367255796421
Energy: 1.5664642397061856
Energy: 1.6657402798683763
Energy: 1.5668207612337368
Energy: 1.5954461090687841
Energy: 1.693051031537923
Energy: 1.5874817532393604
Energy: 1.5668207612337368
Energy: 1.5954461090687841
Energy: 1.6930510315383456
Energy: 1.6277538732570747
Energy: 1.579325100683283
Energy: 1.6899019834289621
Energy: 1.6292274021003006
Energy: 1.6277538732570747
Energy: 1.579325100683283
Energy: 1.6899019834289621
Energy: 1.6451302253544415
Energy: 1.6183358534488084
Energy: 1.6431344998884467
Energy: 1.6162053220290638
Energy: 1.6451302253544415
Energy: 1.6183358534488084
Energy: 1.6431344998880244
Energy: 1.6163615631426944
Energy: 1.5756503397186563
Energy: 1.6537428397008256
Energy: 1.595544481262385
Energy: 1.6163615631426944
Energy: 1.5756503397186563
Energy: 1.6537428397008256
Energy: 1.5726935477999946
Energy: 1.6993730310227506
Energy: 1.7532168569878284
Energy: 1.6000672984165463
Energy: 1.5726935477995723
Energy: 1.6993730310227506
Energy: 1.7532168569878284
Energy: 1.600100831648006
Energy: 1.6027949204337384
Energy: 1.7310106435000885
Energy: 1.6387399001999157
Energy: 1.600100831648006
Energy: 1.6027949204337384
Energy: 1.7116146728291048
Energy: 1.59904269490113
Energy: 1.5810249371944034
Energy: 1.675206484769836
Energy: 1.5772328492811631
Energy: 1.59904269490113
Energy: 1.5810249371944034
Energy: 1.675206484769836
Energy: 1.5927967915296142
Energy: 1.6242447227929808
Energy: 1.6671806912637843
Energy: 1.6138877357401362
Energy: 1.5927967915296142
Energy: 1.6242447227934027
Energy: 1.6671806912642064
Energy: 1.5988848039737165
Energy: 1.6066049530145428
Energy: 1.6600897518120725
Energy: 1.566130569369937
Energy: 1.5988848039737165
Energy: 1.6066049530145428
Energy: 1.6600897518120725
Energy: 1.6281180656631087
Energy: 1.6161562906019724
Energy: 1.6853391853457511
Energy: 1.616708501937682
Energy: 1.6281180656635308
Energy: 1.6161562906019724
Energy: 1.6473354389988781
Energy: 1.5855141756246076
Energy: 1.5678258075156004
Energy: 1.7004916258538754
Energy: 1.571734749142128
Energy: 1.5855141756246076
Energy: 1.5678258075156004
Energy: 1.7004916258538754
Energy: 1.6159087849577987
Energy: 1.6000248717473002
Energy: 1.7863853333448982
Energy: 1.561255069808777
Energy: 1.6159087849577987
Energy: 1.6000248717473002
Energy: 1.811608179991995
Energy: 1.6715785900313145
Energy: 1.6122544962233634
Energy: 1.6727737261476723
Energy: 1.6635394853956595
Energy: 1.6715785900313145
Energy: 1.6122544962233634
Energy: 1.6727737261476723
Energy: 1.6441543165702301
Energy: 1.5693358364454357
Energy: 1.6715394508307704
Energy: 1.641929138923238
Energy: 1.6441543165702301
Energy: 1.5693358364454357
Energy: 1.6715394508307704
Energy: 1.632598910800033
Energy: 1.6049529180513746
Energy: 1.677722587645081
Energy: 1.5911250174179188
Energy: 1.632598910800033
Energy: 1.6049529180513746
Energy: 1.677722587645081
Energy: 1.5809816219082138
Energy: 1.6117985343749301
Energy: 1.6791298035177977
Energy: 1.5931561890412105
Energy: 1.5809816219082138
Energy: 1.6117985343749301
Energy: 1.6791298035177977
Energy: 1.57560944292517
Energy: 1.5714005922356415
Energy: 1.6996749287865973
Energy: 1.6084442655829778
Energy: 1.57560944292517
Energy: 1.5714005922356415
Energy: 1.6996749287865973
Energy: 1.581857011697544
Energy: 1.6101956345233521
Energy: 1.7190355602256007
Energy: 1.6276283196104446
Energy: 1.581857011697544
Energy: 1.6101956345233521
Energy: 1.6862970505908403
Energy: 1.5916648392599597
Energy: 1.5665818906917632
Energy: 1.6996462677935957
Energy: 1.5640679025796904
Energy: 1.5916648392599597
Energy: 1.5665818906917632
Energy: 1.6996462677931734
Energy: 1.6013707470077494
Energy: 1.6452427841810835
Energy: 1.7226605061812126
Energy: 1.572952858143391
Energy: 1.6013707470077494
Energy: 1.6452427841810835
Energy: 1.7226605061812126
Energy: 1.582396143073731
Energy: 1.6083404492481483
Energy: 1.737485976175656
Energy: 1.5911371028553956
Energy: 1.582396143073731
Energy: 1.608340449248993
Energy: 1.7374859761760784
Energy: 1.5789457927261967
Energy: 1.5986491350035856
Energy: 1.7137236159866782
Energy: 1.5738509565625203
Energy: 1.5789457927261967
Energy: 1.598649135003163
Energy: 1.7137236159866782
Energy: 1.579415785270867
Energy: 1.6211695561938522
Energy: 1.7301067387293745
Energy: 1.654473912647702
Energy: 1.579415785270867
Energy: 1.6211695561938522
Energy: 1.7301067387293745

minimum gb energy = 1.54467390382969 eV
minimum distance =  2.20973435198296 Angstroms
sigma value = 39


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

Energy: 1.6658714853420644
Energy: 1.5743597775801212
Energy: 1.7258396395368214
Energy: 1.5740945987501438
Energy: 1.6658714853420644
Energy: 1.5743597775796228
Energy: 1.6867339402551893
Energy: 1.5804654752126377
Energy: 1.5939698231333368
Energy: 1.570195835424436
Energy: 1.6175551062189606
Energy: 1.5804654752126377
Energy: 1.5939698231333368
Energy: 1.5701958354249346
Energy: 1.6659489270266727
Energy: 1.5275769834744541
Energy: 1.7131475944597974
Energy: 1.5739600939146374
Energy: 1.6659489270266727
Energy: 1.5275769834744541
Energy: 1.7131475944597974
Energy: 1.598739776623137
Energy: 1.5933374628427734
Energy: 1.5699835129565545
Energy: 1.6183986699898512
Energy: 1.598739776623137
Energy: 1.5933374628427734
Energy: 1.5699835129565545
Energy: 1.5994938839260504
Energy: 1.6338099748937132
Energy: 1.574014057156785
Energy: 1.5739327798354399
Energy: 1.5994938839260504
Energy: 1.6338099748937132
Energy: 1.5740140571562866
Energy: 1.5987735527229812
Energy: 1.6170295310946772
Energy: 1.6803092600280642
Energy: 1.6188505071348225
Energy: 1.5987735527234794
Energy: 1.6170295310946772
Energy: 1.6803092600280642
Energy: 1.6897632005373886
Energy: 1.6338361236087169
Energy: 1.566748083348083
Energy: 1.6344793186131819
Energy: 1.6897632005378873
Energy: 1.6338361236087169
Energy: 1.5615284324290861
Energy: 1.6427806552895008
Energy: 1.5903630498750732
Energy: 1.6901260814142554
Energy: 1.590301415181587
Energy: 1.6427806552895008
Energy: 1.5903630498755719
Energy: 1.690126081413757
Energy: 1.6897176302120196
Energy: 1.6348208374453421
Energy: 1.6490968683383753
Energy: 1.6339057691123557
Energy: 1.6897176302120196
Energy: 1.6348208374458404
Energy: 1.6490968683383753
Energy: 1.598744945716756
Energy: 1.619765866022827
Energy: 1.6809109970188318
Energy: 1.6170417224253495
Energy: 1.5987449457162577
Energy: 1.619765866022827
Energy: 1.6809109970188318
Energy: 1.5994790394884986
Energy: 1.574023879201568
Energy: 1.5913449519924783
Energy: 1.6335989075560942
Energy: 1.5994790394880003
Energy: 1.574023879201568
Energy: 1.6180916614567322
Energy: 1.5989563098572195
Energy: 1.6184060864744263
Energy: 1.5700185384783887
Energy: 1.5933081620804825
Energy: 1.5989563098572195
Energy: 1.6184060864744263
Energy: 1.5700185384783887
Energy: 1.6658914735063317
Energy: 1.5740828533671087
Energy: 1.6575408001772953
Energy: 1.5275387406537468
Energy: 1.6658914735068302
Energy: 1.5740828533671087
Energy: 1.6188377404990102
Energy: 1.5804834214160246
Energy: 1.6176221837072688
Energy: 1.5704863521743144
Energy: 1.5938840164884451
Energy: 1.5804834214160246
Energy: 1.6176221837072688
Energy: 1.5704863521738162
Energy: 1.6658714853420644
Energy: 1.5743597775796228
Energy: 1.6867339402551893
Energy: 1.5740945987501438
Energy: 1.6658714853420644
Energy: 1.5743597775796228
Energy: 1.6867339402551893
Energy: 1.5804654752126377
Energy: 1.5939698231333368
Energy: 1.5701958354249346
Energy: 1.6175551062189606
Energy: 1.5804654752126377
Energy: 1.5939698231333368
Energy: 1.5701958354249346
Energy: 1.6659489270266727
Energy: 1.5275769834749524
Energy: 1.7131475944597974
Energy: 1.5739600939146374
Energy: 1.6659489270266727
Energy: 1.5275769834749524
Energy: 1.7131475944597974
Energy: 1.598739776623137
Energy: 1.5933374628427734
Energy: 1.5699835129565545
Energy: 1.6183986699898512
Energy: 1.598739776623137
Energy: 1.5933374628427734
Energy: 1.5699835129565545
Energy: 1.5994938839260504
Energy: 1.6338099748937132
Energy: 1.574014057156785
Energy: 1.5739327798354399
Energy: 1.5994938839265491
Energy: 1.6338099748937132
Energy: 1.574014057156785
Energy: 1.5987735527234794
Energy: 1.6170295310946772
Energy: 1.6803092600280642
Energy: 1.6188505071348225
Energy: 1.5987735527229812
Energy: 1.6170295310941787
Energy: 1.6803092600275658
Energy: 1.6897632005373886
Energy: 1.6338361236087169
Energy: 1.6444876832884685
Energy: 1.6344793186131819
Energy: 1.6897632005373886
Energy: 1.6338361236087169
Energy: 1.5615284324290861
Energy: 1.6427806552890025
Energy: 1.5903630498750732
Energy: 1.6901260814142554
Energy: 1.5903014151820853
Energy: 1.6427806552890025
Energy: 1.5903630498750732
Energy: 1.690126081413757
Energy: 1.6897176302120196
Energy: 1.6348208374458404
Energy: 1.6490968683383753
Energy: 1.6339057691123557
Energy: 1.6897176302120196
Energy: 1.6348208374453421
Energy: 1.6490968683383753
Energy: 1.5987449457162577
Energy: 1.619765866022827
Energy: 1.6809109970188318
Energy: 1.6170417224253495
Energy: 1.5987449457162577
Energy: 1.619765866022827
Energy: 1.6809109970188318
Energy: 1.5994790394880003
Energy: 1.574023879201568
Energy: 1.5913449519909832
Energy: 1.6335989075560942
Energy: 1.5994790394880003
Energy: 1.574023879201568
Energy: 1.6180916614567322
Energy: 1.5989563098572195
Energy: 1.618406086474925
Energy: 1.5700185384783887
Energy: 1.5933081620804825
Energy: 1.5989563098572195
Energy: 1.618406086474925
Energy: 1.5700185384778902
Energy: 1.6658914735063317
Energy: 1.5740828533671087
Energy: 1.628307549675296
Energy: 1.5275387406537468
Energy: 1.6658914735063317
Energy: 1.5740828533671087
Energy: 1.6188377404990102
Energy: 1.5804834214160246
Energy: 1.6176221837072688
Energy: 1.5704863521738162
Energy: 1.5938840164884451
Energy: 1.5804834214160246
Energy: 1.6176221837072688
Energy: 1.5704863521738162
Energy: 1.6658714853420644
Energy: 1.5743597775796228
Energy: 1.7258396395368214
Energy: 1.5740945987501438
Energy: 1.6658714853420644
Energy: 1.5743597775796228
Energy: 1.6867339402551893
Energy: 1.5804654752126377
Energy: 1.5939698231333368
Energy: 1.5701958354249346
Energy: 1.6175551062189606
Energy: 1.5804654752126377
Energy: 1.5939698231333368
Energy: 1.5701958354249346

minimum gb energy = 1.5275387406537468 eV
minimum distance =  2.26926558465806 Angstroms
sigma value = 21


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

Energy: 1.6260586502256462
Energy: 1.6741116626513146
Energy: 1.6637524657736595
Energy: 1.6741481683354351
Energy: 1.6260586502256462
Energy: 1.6741116626513146
Energy: 1.6637524657736595
Energy: 1.6740432244023882
Energy: 1.5798303266188507
Energy: 1.6122887007650781
Energy: 1.5797463704201875
Energy: 1.6740432244023882
Energy: 1.5798303266188507
Energy: 1.6122887007650781
Energy: 1.6193714367454155
Energy: 1.6145631294997715
Energy: 1.6877401709073536
Energy: 1.5948176003377654
Energy: 1.6193714367454155
Energy: 1.6145631294997715
Energy: 1.6877401709073536
Energy: 1.641401419105977
Energy: 1.5799426271066335
Energy: 1.6749910527984777
Energy: 1.5819535365219501
Energy: 1.641401419105977
Energy: 1.5799426271066335
Energy: 1.6749910527990828
Energy: 1.5777774333838694
Energy: 1.6350046290613593
Energy: 1.5698582634341303
Energy: 1.6016476625069374
Energy: 1.5777774333838694
Energy: 1.6350046290613593
Energy: 1.5698582634341303
Energy: 1.6395664743495648
Energy: 1.6172747660516118
Energy: 1.5954803202753374
Energy: 1.598474275056831
Energy: 1.6395664743495648
Energy: 1.6172747660516118
Energy: 1.5954803202753374
Energy: 1.6392106590704811
Energy: 1.6350079062194924
Energy: 1.5856248158370208
Energy: 1.6000606568629976
Energy: 1.6392106590704811
Energy: 1.6350079062194924
Energy: 1.5856248158370208
Energy: 1.6081686994950464
Energy: 1.615300258563355
Energy: 1.713311798495067
Energy: 1.599921751362692
Energy: 1.6081686994950464
Energy: 1.61530025856396
Energy: 1.713311798495672
Energy: 1.639131408656561
Energy: 1.6022786252361738
Energy: 1.6018104908112243
Energy: 1.6169334864170672
Energy: 1.639131408656561
Energy: 1.6022786252361738
Energy: 1.6018104908112243
Energy: 1.6389106188166511
Energy: 1.6192765636342867
Energy: 1.6428213205651006
Energy: 1.5711835089346329
Energy: 1.6389106188166511
Energy: 1.6192765636342867
Energy: 1.6428213205651006
Energy: 1.5742314601870189
Energy: 1.632403330510495
Energy: 1.6727634591309155
Energy: 1.5850653289882584
Energy: 1.5742314601870189
Energy: 1.632403330510495
Energy: 1.6727634591309155
Energy: 1.5391721275496484
Energy: 1.5988113919182345
Energy: 1.6487086275231102
Energy: 1.6008755819020861
Energy: 1.5391721275496484
Energy: 1.5988113919182345
Energy: 1.6487086275231102
Energy: 1.57402768142753
Energy: 1.5963858147847667
Energy: 1.6401835763375985
Energy: 1.579858325297963
Energy: 1.57402768142753
Energy: 1.5963858147847667
Energy: 1.6412611893787679
Energy: 1.5424450868142339
Energy: 1.5987019396034423
Energy: 1.7237855794588286
Energy: 1.608975999397116
Energy: 1.5424450868148392
Energy: 1.5987019396034423
Energy: 1.7237855794588286
Energy: 1.6826315709877944
Energy: 1.6206912250692687
Energy: 1.646054054421921
Energy: 1.5799816519888361
Energy: 1.6826315709877944
Energy: 1.6206912250692687
Energy: 1.646054054421921
Energy: 1.5600476002137988
Energy: 1.6458187095316847
Energy: 1.6438302736243342
Energy: 1.637098634836935
Energy: 1.5600476002137988
Energy: 1.6458187095316847
Energy: 1.6438302736249393
Energy: 1.637633129594682
Energy: 1.5725672688366397
Energy: 1.7009157868506628
Energy: 1.5798525703245077
Energy: 1.637633129594682
Energy: 1.5725672688366397
Energy: 1.7168423220175586
Energy: 1.559613944394521
Energy: 1.602611376990312
Energy: 1.5862703691065725
Energy: 1.662033579615366
Energy: 1.559613944394521
Energy: 1.602611376990312
Energy: 1.5862703691065725
Energy: 1.6476113749840988
Energy: 1.5726555731736191
Energy: 1.636242154223487
Energy: 1.58130566049754
Energy: 1.647611374984704
Energy: 1.5726555731736191
Energy: 1.636242154223487
Energy: 1.5329051291467126
Energy: 1.6197661988794358
Energy: 1.5767386986692116
Energy: 1.6198250597400798
Energy: 1.5329051291467126
Energy: 1.6197661988794358
Energy: 1.5767386986692116
Energy: 1.6477645643547216
Energy: 1.5812587007217418
Energy: 1.635435064151036
Energy: 1.572680374966021
Energy: 1.6477645643547216
Energy: 1.5812587007217418
Energy: 1.6354350641516409
Energy: 1.5598237107607191
Energy: 1.6620228493395333
Energy: 1.5861796316137056
Energy: 1.6023555411483603
Energy: 1.5598237107607191
Energy: 1.6620228493395333
Energy: 1.5861796316137056
Energy: 1.637578153832043
Energy: 1.5799290556901928
Energy: 1.6166426349566627
Energy: 1.5725773824214364
Energy: 1.637578153832043
Energy: 1.5799290556901928
Energy: 1.6166426349566627
Energy: 1.5601054398961223
Energy: 1.6370969276850678
Energy: 1.64376982980969
Energy: 1.6458321175894877
Energy: 1.5601054398955172
Energy: 1.6370969276850678
Energy: 1.64376982980969
Energy: 1.6824984971157377
Energy: 1.5799327076940608
Energy: 1.6647676760974168
Energy: 1.6210146287628273
Energy: 1.6824984971157377
Energy: 1.5799327076940608
Energy: 1.6647676760974168

minimum gb energy = 1.5329051291467126 eV
minimum distance =  2.25609773654898 Angstroms
sigma value = 113


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

Energy: 1.6587121440290025
Energy: 1.6566092457449513
Energy: 1.641449698304753
Energy: 1.656843147108287
Energy: 1.6587121440290025
Energy: 1.6566092457449513
Energy: 1.641449698304753
Energy: 1.664414565822166
Energy: 1.6191332235975662
Energy: 1.6177705523632506
Energy: 1.6611709974510305
Energy: 1.664414565822166
Energy: 1.6191332235975662
Energy: 1.6177705523632506
Energy: 1.6605905874837543
Energy: 1.6311705701536188
Energy: 1.6633108463823345
Energy: 1.6345029026774018
Energy: 1.6605905874837543
Energy: 1.6311705701536188
Energy: 1.6633108463823345
Energy: 1.585243280643231
Energy: 1.6185289388455297
Energy: 1.6946551912646342
Energy: 1.6200172081235396
Energy: 1.585243280643231
Energy: 1.6185289388455297
Energy: 1.6946551912646342
Energy: 1.6612819077900487
Energy: 1.5773923744742273
Energy: 1.612574005916152
Energy: 1.5807689061930739
Energy: 1.6612819077900487
Energy: 1.5773923744742273
Energy: 1.612574005916152
Energy: 1.5826904852611312
Energy: 1.5875071897055169
Energy: 1.6941721346689222
Energy: 1.5800112346912039
Energy: 1.5826904852611312
Energy: 1.5875071897055169
Energy: 1.6941721346689222
Energy: 1.6148543977499452
Energy: 1.577658397743141
Energy: 1.6240763446572968
Energy: 1.594519045968651
Energy: 1.6148543977499452
Energy: 1.577658397743141
Energy: 1.6240763446572968
Energy: 1.5758181792137615
Energy: 1.5966033327598752
Energy: 1.6431349249231695
Energy: 1.5680997912568602
Energy: 1.5758181792137615
Energy: 1.5966033327598752
Energy: 1.6431349249231695
Energy: 1.6151229578944437
Energy: 1.5608186443974499
Energy: 1.7022828809038364
Energy: 1.5754825170406395
Energy: 1.6151229578944437
Energy: 1.5608186443974499
Energy: 1.7022828809038364
Energy: 1.5826662591733507
Energy: 1.5976357840301671
Energy: 1.6324053259945634
Energy: 1.595003490200051
Energy: 1.5826662591733507
Energy: 1.5976357840301671
Energy: 1.6324053259945634
Energy: 1.6253464147032128
Energy: 1.6394668805232349
Energy: 1.6807434803228416
Energy: 1.575210942563256
Energy: 1.6253464147032128
Energy: 1.6394668805232349
Energy: 1.6807434803228416
Energy: 1.5824109019445862
Energy: 1.6017303677853485
Energy: 1.7572296719910188
Energy: 1.585374168138416
Energy: 1.5824109019445862
Energy: 1.6017303677853485
Energy: 1.7572296719910188
Energy: 1.6309360202077718
Energy: 1.5745041664110233
Energy: 1.6871211501266257
Energy: 1.5996018060696426
Energy: 1.6309360202077718
Energy: 1.5745041664110233
Energy: 1.6871211501266257
Energy: 1.634274602390475
Energy: 1.6671094745841653
Energy: 1.7563628922234154
Energy: 1.5791512130923955
Energy: 1.634274602390475
Energy: 1.6671094745841653
Energy: 1.7563628922234154
Energy: 1.6309144546388814
Energy: 1.6023876209734123
Energy: 1.7512867701752988
Energy: 1.6428114712752553
Energy: 1.6309144546388814
Energy: 1.6023876209734123
Energy: 1.7512867701752988
Energy: 1.6339005850177195
Energy: 1.6013694238153766
Energy: 1.6984731912792528
Energy: 1.58555689170492
Energy: 1.6339005850177195
Energy: 1.6013694238153766
Energy: 1.6984731912792528
Energy: 1.6237645895532977
Energy: 1.5742892731820428
Energy: 1.756168125962428
Energy: 1.5995198616915445
Energy: 1.6237645895532977
Energy: 1.5742892731820428
Energy: 1.756168125962428
Energy: 1.5779070434528535
Energy: 1.5940159621314298
Energy: 1.7697091087000951
Energy: 1.5869823661144626
Energy: 1.5779070434528535
Energy: 1.5940159621314298
Energy: 1.7697091087000951
Energy: 1.6239612305760425
Energy: 1.6109281020599813
Energy: 1.6476621508646616
Energy: 1.6373041349844188
Energy: 1.6239612305760425
Energy: 1.6109281020599813
Energy: 1.6476621508646616
Energy: 1.563387204519389
Energy: 1.5735540756087771
Energy: 1.7167514005907203
Energy: 1.5275252130755903
Energy: 1.563387204519389
Energy: 1.5735540756087771
Energy: 1.7167514005907203
Energy: 1.5547705895370698
Energy: 1.5801390329829543
Energy: 1.6703111235797523
Energy: 1.6736643659981207
Energy: 1.5547705895370698
Energy: 1.5801390329829543
Energy: 1.6703111235797523
Energy: 1.5635065460923352
Energy: 1.5416025217883573
Energy: 1.6793648032215087
Energy: 1.552895746062184
Energy: 1.5635065460923352
Energy: 1.5416025217883573
Energy: 1.6793648032215087
Energy: 1.5635700215405277
Energy: 1.57212902871222
Energy: 1.6982067440429134
Energy: 1.6325848599802282
Energy: 1.5635700215405277
Energy: 1.57212902871222
Energy: 1.6982067440429134
Energy: 1.6088659690666993
Energy: 1.5635698530939026
Energy: 1.664635368385577
Energy: 1.5540361618822973
Energy: 1.6088659690666993
Energy: 1.5635698530939026
Energy: 1.664635368385577
Energy: 1.6195875800473694
Energy: 1.5933410819249325
Energy: 1.645593257311946
Energy: 1.6788934204020645
Energy: 1.6195875800473694
Energy: 1.5933410819249325
Energy: 1.666006487215984
Energy: 1.607249386956992
Energy: 1.6092269481683976
Energy: 1.7001193576491704
Energy: 1.572081914788639
Energy: 1.607249386956992
Energy: 1.6092269481683976
Energy: 1.7001193576491704
Energy: 1.695390560717238
Energy: 1.596603229631253
Energy: 1.5819059877188477
Energy: 1.6782706894258457
Energy: 1.695390560717238
Energy: 1.596603229631253
Energy: 1.5819059877188477
Energy: 1.6046952591012607
Energy: 1.6404710223434331
Energy: 1.6992302192631081
Energy: 1.619896895632013
Energy: 1.6046952591012607
Energy: 1.6404710223434331
Energy: 1.6992302192631081
Energy: 1.6626634262307747
Energy: 1.580764662403316
Energy: 1.6492161479100553
Energy: 1.6788007257705118
Energy: 1.6626634262307747
Energy: 1.580764662403316
Energy: 1.6492161479100553
Energy: 1.6056728285974171
Energy: 1.6222717728640745
Energy: 1.6483694445804113
Energy: 1.657099780305097
Energy: 1.6056728285974171
Energy: 1.6222717728640745
Energy: 1.6483694445804113
Energy: 1.6177523487100351
Energy: 1.6105311297814249
Energy: 1.7067120975331234
Energy: 1.6232536879397488
Energy: 1.6177523487100351
Energy: 1.6105311297814249
Energy: 1.7067120975297467
Energy: 1.6017905403797377
Energy: 1.5329831883186176
Energy: 1.605092446837808
Energy: 1.6071265310101304
Energy: 1.6017905403797377
Energy: 1.5329831883152405
Energy: 1.605092446837808
Energy: 1.6174548159602167
Energy: 1.5460085577765263
Energy: 1.6833358044915563
Energy: 1.6069821128980515
Energy: 1.6174548159602167
Energy: 1.5460085577765263
Energy: 1.6833358044915563
Energy: 1.5950778689522875
Energy: 1.5332234914378597
Energy: 1.589956495829247
Energy: 1.565878929581116
Energy: 1.5950778689522875
Energy: 1.5332234914378597
Energy: 1.589956495829247
Energy: 1.5895792701141935
Energy: 1.5433759229689124
Energy: 1.606959562968904
Energy: 1.6001513282303672
Energy: 1.5895792701141935
Energy: 1.5433759229689124
Energy: 1.606959562968904
Energy: 1.5950710189048933
Energy: 1.549334720453029
Energy: 1.6636391426954373
Energy: 1.5593861300201375
Energy: 1.5950710189048933
Energy: 1.549334720453029
Energy: 1.6636391426954373
Energy: 1.6040821991269982
Energy: 1.537229949603381
Energy: 1.58324730477177
Energy: 1.6210995133374635
Energy: 1.6040821991269982
Energy: 1.537229949603381
Energy: 1.58324730477177
Energy: 1.606886371922279
Energy: 1.5630631598595859
Energy: 1.6477673308555458
Energy: 1.568587421265186
Energy: 1.606886371922279
Energy: 1.5630631598595859
Energy: 1.647767330852169
Energy: 1.6040873151434367
Energy: 1.5639730153681342
Energy: 1.759593423293796
Energy: 1.6050372555300876
Energy: 1.6040873151434367
Energy: 1.5639730153681342
Energy: 1.759593423293796
Energy: 1.6098322268546648
Energy: 1.5952851655905047
Energy: 1.670061015667222
Energy: 1.6283409787292114
Energy: 1.6098322268546648
Energy: 1.5952851655905047
Energy: 1.670061015667222
Energy: 1.6095780746675388
Energy: 1.5849286441454409
Energy: 1.7365951751466309
Energy: 1.6046872450711267
Energy: 1.6095780746675388
Energy: 1.5849286441454409
Energy: 1.7365951751466309
Energy: 1.6095530047844717
Energy: 1.6073568649093026
Energy: 1.7661593153834965
Energy: 1.6398303777726426
Energy: 1.6095530047844717
Energy: 1.6073568649093026
Energy: 1.7661593153834965
Energy: 1.6350478457412843
Energy: 1.5849888037774096
Energy: 1.697141938078796
Energy: 1.6166478453707918
Energy: 1.6350478457412843
Energy: 1.5849888037774096
Energy: 1.697141938078796
Energy: 1.5843717159502697
Energy: 1.5768737487297422
Energy: 1.7387781353466718
Energy: 1.6000192758495526
Energy: 1.5843717159502697
Energy: 1.5768737487297422
Energy: 1.7387781353466718
Energy: 1.57593894148348
Energy: 1.5715329762648513
Energy: 1.7248616091686106
Energy: 1.606441399401784
Energy: 1.57593894148348
Energy: 1.5715329762648513
Energy: 1.7248616091686106

minimum gb energy = 1.5275252130755903 eV
minimum distance =  2.21029419373804 Angstroms
sigma value = 365


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

Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.3565860999251607
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594315375
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.6088856987302398
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5793593659310394
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594315375
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.384544620001552
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594315375
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5560921697627315
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594315375
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5342980576999488
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594315375
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5686444383800207
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594315375
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.6088856987310012
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.568827700595722
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.332119886167498
Energy: 1.50333805943306
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.332119886167498
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.5802496081016988
Energy: 1.332119886167498
Energy: 1.5033380594322987
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.5802496081016988
Energy: 1.332119886167498
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.5033380594322987
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306
Energy: 1.3321198861667365
Energy: 1.5802496081016988
Energy: 1.3321198861667365
Energy: 1.50333805943306

minimum gb energy = 1.3321198861667365 eV
minimum distance =  2.32784736706111 Angstroms
sigma value = 23