Model name: model_name=MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642806077516
mass=26.981538
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: 0.0 eV

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

Energy: 0.012708519104327793
Energy: 0.28422190137074543
Energy: 0.71905075605572
Energy: 0.2841874371020364
Energy: 0.012708519103532327
Energy: 0.28422190137074543
Energy: 0.3979548385567017
Energy: 0.39732647606057786
Energy: 0.013138285720395137
Energy: 0.11423930834829395
Energy: 0.013159007527229344
Energy: 0.39732647606057786
Energy: 0.013138285720190589
Energy: 0.11423930834770304
Energy: 0.012708519104327793
Energy: 0.28422190137074543
Energy: 0.71905075605572
Energy: 0.2841874371020364
Energy: 0.012708519103532327
Energy: 0.28422190137095
Energy: 0.39795483855729263
Energy: 0.39732647606075977
Energy: 0.013138285720395137
Energy: 0.11423930834829395
Energy: 0.013159007527411165
Energy: 0.39732647606037336
Energy: 0.013138285720395137
Energy: 0.1142393083474985
Energy: 0.012708519104327793
Energy: 0.28422190137095
Energy: 0.7682513284842809
Energy: 0.2841874371020364
Energy: 0.012708519103736875
Energy: 0.28422190137115455
Energy: 0.3979548385569062
Energy: 0.39732647606075977
Energy: 0.013138285720008767
Energy: 0.11423930834829395
Energy: 0.013159007527411165
Energy: 0.39732647606057786
Energy: 0.013138285720190589
Energy: 0.11423930834770304

minimum gb energy = 0.012708519103532327 eV
minimum distance =  2.83321140883276 Angstroms
sigma value = 5


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

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Energy: 0.6868112063043482
Energy: 0.7044652346256715
Energy: 0.6864026299138549
Energy: 0.666156229708099
Energy: 0.6868112063043482
Energy: 0.6881972957722527
Energy: 0.6416879075524204
Energy: 0.6289228870305499
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Energy: 0.6345571335814477
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Energy: 0.6723132259961878
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Energy: 0.721809678790773
Energy: 0.690565969412156
Energy: 0.6379135210587972
Energy: 0.6857419256989337
Energy: 0.6543177128793026
Energy: 0.6905659694145992
Energy: 0.6379135210612407
Energy: 0.6857419256989337
Energy: 0.641803807661274
Energy: 0.6502549935670418
Energy: 0.6984986611457288
Energy: 0.6573485833767297
Energy: 0.6418038076637175
Energy: 0.6502549935645983
Energy: 0.6984986611457288
Energy: 0.6246987961055767
Energy: 0.6429814264442351
Energy: 0.6978785794852485
Energy: 0.6354823078775215
Energy: 0.6246987961007341
Energy: 0.6429814264417916
Energy: 0.697878579482805
Energy: 0.6212434757139248
Energy: 0.6566866428153761
Energy: 0.6811250368042776
Energy: 0.6726141415766622
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Energy: 0.6558729134264689
Energy: 0.6625497232840126
Energy: 0.6205697270918881
Energy: 0.6194036165302675
Energy: 0.6558729134289124
Energy: 0.6625497232791258

minimum gb energy = 0.6169096362761182 eV
minimum distance =  2.53521408119001 Angstroms
sigma value = 401


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

Energy: 0.6524488401251737
Energy: 0.6515882792051823
Energy: 0.7245664964491535
Energy: 0.6540860502065787
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Energy: 0.6510615928402592
Energy: 0.6478921641938862
Energy: 0.6536252933804687
Energy: 0.6449720462312462
Energy: 0.6510615928402592
Energy: 0.6478921641911126
Energy: 0.6536252933804687
Energy: 0.6342667780133611
Energy: 0.6338160421098051
Energy: 0.706628703878191
Energy: 0.6367597148922527
Energy: 0.6342667780119492
Energy: 0.6338160421101077
Energy: 0.7066287038806621
Energy: 0.6414010834328783
Energy: 0.6646600107070887
Energy: 0.6855181692782312
Energy: 0.635141927216485
Energy: 0.6414010834304072
Energy: 0.6646600107065339
Energy: 0.6855181692784833
Energy: 0.6428978016522346
Energy: 0.6608081001078973
Energy: 0.6428338572602773
Energy: 0.6352004381614572
Energy: 0.6428978016500159
Energy: 0.6608081001095615
Energy: 0.6428338572638577
Energy: 0.6411177064160556
Energy: 0.6341423365628704
Energy: 0.6450841273147319
Energy: 0.6373966072422682
Energy: 0.6411177064193838
Energy: 0.634142336563173
Energy: 0.6450841273155387
Energy: 0.6288869148170514
Energy: 0.634747172562564
Energy: 0.644503063324241
Energy: 0.6362253211495356
Energy: 0.6288869148184634
Energy: 0.6347471725620093
Energy: 0.644503063322829
Energy: 0.6213487193895337
Energy: 0.6515882792062916
Energy: 0.697115470036127
Energy: 0.6540860502051667
Energy: 0.6213487193917527
Energy: 0.6515882792068463
Energy: 0.697115470038598
Energy: 0.6314486589472289
Energy: 0.6258448588909971
Energy: 0.6479296505567412
Energy: 0.6507319143182708
Energy: 0.63144865894501
Energy: 0.6258448588915516
Energy: 0.6479296505567412

minimum gb energy = 0.6213487193895337 eV
minimum distance =  2.54763393663305 Angstroms
sigma value = 311


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

Energy: 0.6741948625332387
Energy: 0.6547393490160808
Energy: 0.6851612006459432
Energy: 0.6525146522833911
Energy: 0.6741948625329184
Energy: 0.6547393490151199
Energy: 0.7406468787179598
Energy: 0.6803941797846961
Energy: 0.6397306544724901
Energy: 0.6664063964484023
Energy: 0.6524797505742764
Energy: 0.6803941797843757
Energy: 0.6397306544728103
Energy: 0.6664063964487226
Energy: 0.6514865051273249
Energy: 0.6622660291997972
Energy: 0.6885079643520463
Energy: 0.656542465609627
Energy: 0.6514865051266845
Energy: 0.6622660291997972
Energy: 0.7026481927465217
Energy: 0.658232310733892
Energy: 0.6417114674272162
Energy: 0.6918080948554951
Energy: 0.6428048279586711
Energy: 0.658232310733892
Energy: 0.6417114674272162
Energy: 0.6918080948558154
Energy: 0.6710272712453668
Energy: 0.6521018245102149
Energy: 0.7009975340347312
Energy: 0.6569516995355642
Energy: 0.6710272712463277
Energy: 0.6521018245098946
Energy: 0.6976463296744532
Energy: 0.6596678234311822
Energy: 0.6423729147498601
Energy: 0.6652005294024481
Energy: 0.640663235953564
Energy: 0.6596678234311822
Energy: 0.6423729147501804
Energy: 0.6652005294030886
Energy: 0.6550337561905457
Energy: 0.6973380398568618
Energy: 0.6690565404638437
Energy: 0.6635010277054102
Energy: 0.655033756189585
Energy: 0.6973380398575023
Energy: 0.6907582180456125
Energy: 0.6588830097150044
Energy: 0.6448576575644215
Energy: 0.6885108892575103
Energy: 0.6536991460825029
Energy: 0.6588830097153247
Energy: 0.6448576575644215
Energy: 0.6885108892568695
Energy: 0.6464008921242471
Energy: 0.6289975644994708
Energy: 0.6961217247198643
Energy: 0.6446361334382288
Energy: 0.6464008921245673
Energy: 0.6289975644988303
Energy: 0.688630206009582
Energy: 0.6639404528776192
Energy: 0.6700725541787647
Energy: 0.7034743179276165
Energy: 0.6745220373680528
Energy: 0.663940452877299
Energy: 0.6700725541781241
Energy: 0.7034743179276165
Energy: 0.6877050053217729
Energy: 0.6606705202362793
Energy: 0.7264341367956839
Energy: 0.6400781514053533
Energy: 0.6877050053220933
Energy: 0.6606705202359591
Energy: 0.7264341367947231
Energy: 0.657812651185614
Energy: 0.7009581149269866
Energy: 0.6929225535279772
Energy: 0.661310216654503
Energy: 0.6578126511865748
Energy: 0.7009581149266663
Energy: 0.6929225535279772
Energy: 0.658978490340604
Energy: 0.6548361523847572
Energy: 0.687952061590777
Energy: 0.6413925858616576
Energy: 0.6589784903399633
Energy: 0.6548361523860382
Energy: 0.6879520615910972
Energy: 0.6363045109282036
Energy: 0.6632695522065231
Energy: 0.6736489681572656
Energy: 0.6571938400059667
Energy: 0.6363045109285238
Energy: 0.6632695522065231
Energy: 0.6736489681572656
Energy: 0.6719582836631096
Energy: 0.6413501598488737
Energy: 0.688613186151388
Energy: 0.6402601997520592
Energy: 0.6719582836637501
Energy: 0.6413501598495144
Energy: 0.6886131861517082
Energy: 0.6578324167982488
Energy: 0.6595120807909503
Energy: 0.6923774693508561
Energy: 0.6839272992541447
Energy: 0.6578324167992097
Energy: 0.6595120807909503
Energy: 0.6923774693508561
Energy: 0.672610112161325
Energy: 0.6426370153598975
Energy: 0.705646368596434
Energy: 0.6395740541527641
Energy: 0.6726101121600441
Energy: 0.6426370153595772
Energy: 0.705646368596434
Energy: 0.6546316374781805
Energy: 0.7022993599118106
Energy: 0.6967616402200202
Energy: 0.6684837626288851
Energy: 0.6546316374775398
Energy: 0.7022993599111701
Energy: 0.6967616402203404
Energy: 0.6463183320718544
Energy: 0.6464778247734975
Energy: 0.6865198026222886
Energy: 0.6487961158578571
Energy: 0.6463183320721747
Energy: 0.6464778247738177
Energy: 0.6950167921068048
Energy: 0.658925423892336
Energy: 0.6404889294843794
Energy: 0.6774351180699066
Energy: 0.64485510764534
Energy: 0.6589254238932969
Energy: 0.6404889294840591
Energy: 0.6774351180686254
Energy: 0.662105783981672
Energy: 0.6635718990755712
Energy: 0.6799952115457271
Energy: 0.6744747934724036
Energy: 0.6621057839819923
Energy: 0.6635718990752508
Energy: 0.6799952115454068
Energy: 0.6685987146474237
Energy: 0.6394520387438468
Energy: 0.6665902607511889
Energy: 0.6322100292116412
Energy: 0.6685987146471034
Energy: 0.6394520387441671
Energy: 0.6665902607499078
Energy: 0.6537567321631198
Energy: 0.6562113986606806
Energy: 0.6783670327095646
Energy: 0.6518006309065755
Energy: 0.6537567321631198
Energy: 0.6562113986597197
Energy: 0.6783670327095646
Energy: 0.6463227946839737
Energy: 0.6397959906149294
Energy: 0.6870047745229788
Energy: 0.6416797454032099
Energy: 0.6463227946836534
Energy: 0.6397959906152496
Energy: 0.6870047745229788
Energy: 0.6489657909377383
Energy: 0.6576053617413937
Energy: 0.6721157014599264
Energy: 0.6469351874755891
Energy: 0.6489657909377383
Energy: 0.6576053617420342
Energy: 0.6721157014602467
Energy: 0.6789678858496204
Energy: 0.6523874716370177
Energy: 0.6663280585341828
Energy: 0.6495261427095804
Energy: 0.6789678858499406
Energy: 0.6523874716366975
Energy: 0.6663280585341828
Energy: 0.6685205871498177
Energy: 0.6545634074665025
Energy: 0.7182134040639117
Energy: 0.6546784943583099
Energy: 0.6685205871504581
Energy: 0.6545634074668228
Energy: 0.715718507484024
Energy: 0.6793180832045644
Energy: 0.6424806682852271
Energy: 0.6666556497544962
Energy: 0.6561221283305323
Energy: 0.6793180832045644
Energy: 0.6424806682855473
Energy: 0.6666556497548164
Energy: 0.6526604178460899
Energy: 0.665606296270035
Energy: 0.6882613274254105
Energy: 0.6380571110886855
Energy: 0.652660417845129
Energy: 0.6656062962690743
Energy: 0.6882613274250902
Energy: 0.6448794623385325
Energy: 0.6491804294286739
Energy: 0.6866855709129759
Energy: 0.6320510793676772
Energy: 0.6448794623388527
Energy: 0.649180429428994
Energy: 0.6866855709129759
Energy: 0.6573180018263679
Energy: 0.6519693820731417
Energy: 0.7004299503121719
Energy: 0.6572483328224147
Energy: 0.6573180018263679
Energy: 0.6519693820728214
Energy: 0.7025412992454266
Energy: 0.66223791967984
Energy: 0.6326022264443653
Energy: 0.6667055135373358
Energy: 0.6447960501651703
Energy: 0.6622379196804804
Energy: 0.6326022264446856
Energy: 0.6667055135395776
Energy: 0.6706458201426843
Energy: 0.6958418766456641
Energy: 0.6790001019373165
Energy: 0.6507674827437239
Energy: 0.6706458201423641
Energy: 0.6958418766453438
Energy: 0.6987730523884839
Energy: 0.6606725956771791
Energy: 0.6570976070676146
Energy: 0.6873058554139901
Energy: 0.6405411652926802
Energy: 0.6606725956765385
Energy: 0.6570976070682553
Energy: 0.6873058554139901
Energy: 0.6464349513193512
Energy: 0.6559672980403994
Energy: 0.7226355029921148
Energy: 0.6375747943311272
Energy: 0.6464349513196714
Energy: 0.6559672980400792
Energy: 0.7226355029914742
Energy: 0.6639296259702494
Energy: 0.6756172894704247
Energy: 0.6952466216584904
Energy: 0.6966365724138498
Energy: 0.6639296259702494
Energy: 0.675617289470745
Energy: 0.6952466216591309

minimum gb energy = 0.6289975644988303 eV
minimum distance =  2.54505850682511 Angstroms
sigma value = 39


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

Energy: 0.6593003762186181
Energy: 0.6794133513417536
Energy: 0.6915712800132044
Energy: 0.6794218311023412
Energy: 0.6593003762186181
Energy: 0.6794133513413756
Energy: 0.6711966829790788
Energy: 0.6555484956842278
Energy: 0.6615483057788647
Energy: 0.6217601736693726
Energy: 0.662235252708274
Energy: 0.6555484956846057
Energy: 0.6615483057773528
Energy: 0.6217601736720186
Energy: 0.6593408518990455
Energy: 0.6247407320878056
Energy: 0.6589651659231269
Energy: 0.6406518991338517
Energy: 0.6593408518986675
Energy: 0.6247407320893174
Energy: 0.6589651659235051
Energy: 0.6513424628571773
Energy: 0.6616803935529089
Energy: 0.6225227314006726
Energy: 0.6832787391161224
Energy: 0.6513424628583113
Energy: 0.6616803935532868
Energy: 0.6225227314014286
Energy: 0.6686337519482839
Energy: 0.6391165514399405
Energy: 0.661567041329675
Energy: 0.6406587347932787
Energy: 0.6686337519471499
Energy: 0.6391165514414524
Energy: 0.6630302442575454
Energy: 0.6472282602565834
Energy: 0.6385682907479655
Energy: 0.6611969226099845
Energy: 0.669542146704765
Energy: 0.6472282602565834
Energy: 0.6385682907456978
Energy: 0.6611969226107406
Energy: 0.7148860730108869
Energy: 0.639831705650283
Energy: 0.6369832224559121
Energy: 0.640179647896266
Energy: 0.714886073009375
Energy: 0.6398317056499049
Energy: 0.640782488882906
Energy: 0.647597904808027
Energy: 0.664133918645762
Energy: 0.6823255254718391
Energy: 0.6641193906828707
Energy: 0.6475979048091609
Energy: 0.6641339186438722
Energy: 0.6823255254714612
Energy: 0.7148950960122817
Energy: 0.6401889185833304
Energy: 0.6564524200986888
Energy: 0.6398201181755933
Energy: 0.7148950960107698
Energy: 0.6401889185833304
Energy: 0.6564524200952873
Energy: 0.6472152844487437
Energy: 0.6695654225757034
Energy: 0.6612017607111506
Energy: 0.6385614408129165
Energy: 0.6472152844468538
Energy: 0.6695654225745696
Energy: 0.6612017607122845
Energy: 0.6684859593987258
Energy: 0.6406618655317738
Energy: 0.6665523236463773
Energy: 0.6391476836330642
Energy: 0.6684859593998598
Energy: 0.6406618655321518
Energy: 0.6644056922596414
Energy: 0.6513235379321052
Energy: 0.6834978281126134
Energy: 0.6226403342703525
Energy: 0.6615201584468433
Energy: 0.6513235379321052
Energy: 0.6834978281118573
Energy: 0.6226403342718644
Energy: 0.6593296484793051
Energy: 0.6406979440165032
Energy: 0.667676153895444
Energy: 0.6247967832299318
Energy: 0.6593296484774153
Energy: 0.6406979440149914
Energy: 0.6676761538958219
Energy: 0.6555996794893374
Energy: 0.6622687026266981
Energy: 0.6217501682709482
Energy: 0.6615722954679376
Energy: 0.6555996794923612
Energy: 0.66226870262821
Energy: 0.6217501682709482
Energy: 0.6593003762193743
Energy: 0.6794133513417536
Energy: 0.675503837720872
Energy: 0.6794218311015853
Energy: 0.6593003762189963
Energy: 0.6794133513409977
Energy: 0.671196682975677
Energy: 0.6555484956849837
Energy: 0.6615483057792426
Energy: 0.6217601736697507
Energy: 0.6622352527116758
Energy: 0.6555484956853617
Energy: 0.6615483057773528
Energy: 0.6217601736720186
Energy: 0.6593408518994235
Energy: 0.6247407320878056
Energy: 0.6589651659231269
Energy: 0.6406518991346075
Energy: 0.6593408518986675
Energy: 0.6247407320896954
Energy: 0.6589651659235051
Energy: 0.6513424628575554
Energy: 0.6616803935529089
Energy: 0.6225227314006726
Energy: 0.6832787391165004
Energy: 0.6513424628594452
Energy: 0.6616803935529089
Energy: 0.6225227314010506
Energy: 0.6686337519479059
Energy: 0.6391165514399405
Energy: 0.6587871834968715
Energy: 0.6406587347932787
Energy: 0.6686337519482839
Energy: 0.6391165514418304
Energy: 0.6587871834964936
Energy: 0.6472282602565834
Energy: 0.6385682907479655
Energy: 0.6611969226107406
Energy: 0.669542146704387
Energy: 0.6472282602573393
Energy: 0.6385682907456978
Energy: 0.6611969226099845
Energy: 0.714886073010509
Energy: 0.6398317056506609
Energy: 0.6407824888810162
Energy: 0.640179647896266
Energy: 0.714886073009375
Energy: 0.6398317056499049
Energy: 0.640782488883284
Energy: 0.6475979048091609
Energy: 0.664133918645006
Energy: 0.6823255254729731
Energy: 0.6641193906828707
Energy: 0.6475979048095388
Energy: 0.6641339186434942
Energy: 0.6823255254714612
Energy: 0.7148950960122817
Energy: 0.6401889185844643
Energy: 0.6437887332127572
Energy: 0.6398201181759711
Energy: 0.7148950960103919
Energy: 0.6401889185833304
Energy: 0.6437887332138912
Energy: 0.6472152844483657
Energy: 0.6695654225760814
Energy: 0.6612017607103947
Energy: 0.6385614408132946
Energy: 0.6472152844472318
Energy: 0.6695654225745696
Energy: 0.6612017607115286
Energy: 0.6684859593991038
Energy: 0.6406618655317738
Energy: 0.6613774369528389
Energy: 0.6391476836330642
Energy: 0.6684859593998598
Energy: 0.6406618655321518
Energy: 0.6613774369532168
Energy: 0.6513235379317271
Energy: 0.6834978281118573
Energy: 0.6226403342703525
Energy: 0.6615201584468433
Energy: 0.6513235379321052
Energy: 0.6834978281118573
Energy: 0.6226403342714864
Energy: 0.6593296484796831
Energy: 0.6406979440161252
Energy: 0.6626574605101818
Energy: 0.6247967832299318
Energy: 0.6593296484777933
Energy: 0.6406979440146132
Energy: 0.6626574605105597
Energy: 0.6555996794893374
Energy: 0.6622687026266981
Energy: 0.6217501682709482
Energy: 0.6615722954675596
Energy: 0.655599679493117
Energy: 0.662268702628966
Energy: 0.6217501682705703
Energy: 0.6593003762182403
Energy: 0.6794133513417536
Energy: 0.671196682975299
Energy: 0.6794218311019633
Energy: 0.6593003762193743
Energy: 0.6794133513417536
Energy: 0.671196682975299
Energy: 0.6555484956846057
Energy: 0.6615483057784868
Energy: 0.6217601736693726
Energy: 0.662235252709786
Energy: 0.6555484956846057
Energy: 0.6615483057784868
Energy: 0.6217601736712625

minimum gb energy = 0.6217501682705703 eV
minimum distance =  2.62449136002676 Angstroms
sigma value = 21


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

Energy: 0.6714462776632026
Energy: 0.7286155945844449
Energy: 0.6969285459977251
Energy: 0.7288004384514792
Energy: 0.6714462776618261
Energy: 0.7286155945835273
Energy: 0.6514277032338354
Energy: 0.6757146419679152
Energy: 0.6680479972396224
Energy: 0.6443490173309581
Energy: 0.6680046741658476
Energy: 0.6757146419674563
Energy: 0.6680479972405401
Energy: 0.6443490173309581
Energy: 0.6747557515723475
Energy: 0.6646016775533571
Energy: 0.6765640150403172
Energy: 0.6661031123984815
Energy: 0.6747557515723475
Energy: 0.6646016775533571
Energy: 0.6765640150403172
Energy: 0.6620281949785085
Energy: 0.6693130065792824
Energy: 0.6512873786785877
Energy: 0.6547584737775309
Energy: 0.6620281949785085
Energy: 0.669313006577447
Energy: 0.6512873786781496
Energy: 0.6548215723144234
Energy: 0.6268758389483657
Energy: 0.649753496364722
Energy: 0.6758236730442285
Energy: 0.6548215723157998
Energy: 0.6268758389488245
Energy: 0.6497534963633456
Energy: 0.6621818266132127
Energy: 0.6355994150259513
Energy: 0.7170807772677199
Energy: 0.6616033197859402
Energy: 0.6621818266127538
Energy: 0.6355994150273279
Energy: 0.7170807772677199
Energy: 0.6541814894542413
Energy: 0.6898936570549552
Energy: 0.649918319445917
Energy: 0.6659499247869728
Energy: 0.6541814894542413
Energy: 0.689893657055414
Energy: 0.649918319445917
Energy: 0.6682387626608738
Energy: 0.646120592927554
Energy: 0.7219025176428243
Energy: 0.6589669622772255
Energy: 0.6682387626608738
Energy: 0.6461205929270952
Energy: 0.7219025176423653
Energy: 0.6539968122082296
Energy: 0.6619634712633213
Energy: 0.6627525635446602
Energy: 0.7113999745732137
Energy: 0.6539968122091472
Energy: 0.6619634712633213
Energy: 0.6627525635451189
Energy: 0.6547055290137317
Energy: 0.6703299311284356
Energy: 0.6541810512768339
Energy: 0.6591722811526233
Energy: 0.654705529012814
Energy: 0.6703299311284356
Energy: 0.6541810512782104
Energy: 0.699947618915067
Energy: 0.7048110700799674
Energy: 0.6633821417496651
Energy: 0.6510123328821291
Energy: 0.6999476189155258
Energy: 0.7048110700790498
Energy: 0.6633821417496651
Energy: 0.6300627005036774
Energy: 0.6488973153169387
Energy: 0.6488910223324191
Energy: 0.6503205149811676
Energy: 0.6300627005032186
Energy: 0.6488973153155622
Energy: 0.6488910223310427
Energy: 0.7091011106937729
Energy: 0.6508361748421454
Energy: 0.655909714890648
Energy: 0.6577351570094107
Energy: 0.7091011106937729
Energy: 0.6508361748435221
Energy: 0.6559097148911068
Energy: 0.6336440528748954
Energy: 0.6488529944904514
Energy: 0.6527358010631586
Energy: 0.6335231626583581
Energy: 0.6336440528748954
Energy: 0.6488529944895338
Energy: 0.6527358010649938
Energy: 0.6982036406351797
Energy: 0.6423455696413918
Energy: 0.6560661082679006
Energy: 0.6572159245996053
Energy: 0.6982036406356386
Energy: 0.6423455696413918
Energy: 0.6560661082679006
Energy: 0.6295721732496788
Energy: 0.6921275813597673
Energy: 0.6527423104319471
Energy: 0.6434025559268953
Energy: 0.6295721732487611
Energy: 0.6921275813593085
Energy: 0.6527423104314882
Energy: 0.6978014510965288
Energy: 0.6422826876671731
Energy: 0.6514883194370398
Energy: 0.6569057508212345
Energy: 0.6978014510965288
Energy: 0.6422826876662555
Energy: 0.6514883194370398
Energy: 0.6295292623315271
Energy: 0.6716545864082794
Energy: 0.658834642652577
Energy: 0.651225807564133
Energy: 0.6295292623310682
Energy: 0.6716545864101148
Energy: 0.6588346426530358
Energy: 0.677982324788063
Energy: 0.6422569939896182
Energy: 0.6751107212253583
Energy: 0.6482690610646072
Energy: 0.6779823247889806
Energy: 0.6422569939896182
Energy: 0.6751107212253583
Energy: 0.6298601982303919
Energy: 0.6913664114779937
Energy: 0.643076337926072
Energy: 0.6914112881581275
Energy: 0.6298601982303919
Energy: 0.691366411477535
Energy: 0.643076337926072
Energy: 0.6779834966311015
Energy: 0.6485956035035778
Energy: 0.7047888094716926
Energy: 0.6423426974591728
Energy: 0.6779834966306426
Energy: 0.648595603503119
Energy: 0.7047888094712337
Energy: 0.6295399655422264
Energy: 0.6512595025093807
Energy: 0.6590354451975834
Energy: 0.6717445521283241
Energy: 0.6295399655422264
Energy: 0.6512595025080042
Energy: 0.6590354451975834
Energy: 0.6977944917966471
Energy: 0.6569176266422749
Energy: 0.6514297011442403
Energy: 0.6422287092324857
Energy: 0.6977944917966471
Energy: 0.6569176266418162
Energy: 0.6514297011442403
Energy: 0.6295639988685265
Energy: 0.6433540026474202
Energy: 0.6527946206740834
Energy: 0.692147499262857
Energy: 0.6295639988676089
Energy: 0.643354002648317
Energy: 0.6527946206736246
Energy: 0.6981363280117836
Energy: 0.6570449313681607
Energy: 0.6451323143116963
Energy: 0.6423323940411779
Energy: 0.6981363280108659
Energy: 0.6570449313704341
Energy: 0.727807515231286

minimum gb energy = 0.6268758389483657 eV
minimum distance =  2.51503685562211 Angstroms
sigma value = 113


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

Energy: 0.6717159116414579
Energy: 0.7083086017173168
Energy: 0.6660934419754919
Energy: 0.7079700061831581
Energy: 0.671715911645788
Energy: 0.7083086017157803
Energy: 0.6789653080144901
Energy: 0.7106515298733691
Energy: 0.6880296684477998
Energy: 0.6669754675990665
Energy: 0.6877948217834654
Energy: 0.7106515298723913
Energy: 0.6880296684480793
Energy: 0.6669754676016273
Energy: 0.6714908154678424
Energy: 0.6801950370472897
Energy: 0.7081236375403882
Energy: 0.6812135430761493
Energy: 0.6714908155925289
Energy: 0.6801950370470569
Energy: 0.708123637535779
Energy: 0.6500822824455689
Energy: 0.6881210830831339
Energy: 0.693620022933574
Energy: 0.6760181704424756
Energy: 0.6500822824463605
Energy: 0.688121083086719
Energy: 0.6936200229343655
Energy: 0.6912800132334067
Energy: 0.6479181009829768
Energy: 0.6750440425492431
Energy: 0.6545883823117642
Energy: 0.6912800132341983
Energy: 0.647918100980416
Energy: 0.6750440425482189
Energy: 0.6533330986653912
Energy: 0.6708312909385821
Energy: 0.7439551268178854
Energy: 0.6504029367614289
Energy: 0.6533330986651585
Energy: 0.6708312909380699
Energy: 0.7439551268183975
Energy: 0.6479228888630233
Energy: 0.6543139032407809
Energy: 0.6830029519371811
Energy: 0.6512953802403884
Energy: 0.6479228888609747
Energy: 0.6543139032461818
Energy: 0.6830029519384381
Energy: 0.6542641695399894
Energy: 0.6784041190220932
Energy: 0.7253824074375278
Energy: 0.6454648801878206
Energy: 0.6542641695402687
Energy: 0.6784041190220932
Energy: 0.7253824074344548
Energy: 0.6475575865497655
Energy: 0.6589713268371102
Energy: 0.7070978739150066
Energy: 0.6440037615305677
Energy: 0.6475575865466925
Energy: 0.6589713268386002
Energy: 0.7070978739180794
Energy: 0.637292185867281
Energy: 0.6780512469057448
Energy: 0.6854771126547162
Energy: 0.6694652258095256
Energy: 0.6372921858688174
Energy: 0.6780512469006232
Energy: 0.68547711265602
Energy: 0.6480669635579608
Energy: 0.6718656865561884
Energy: 0.71959873611128
Energy: 0.6597663495006139
Energy: 0.6480669635594971
Energy: 0.6718656865595407
Energy: 0.7195987361104884
Energy: 0.6373135293236482
Energy: 0.6619254710113464
Energy: 0.7227280746368441
Energy: 0.6625641462911548
Energy: 0.6373135293272333
Energy: 0.6619254710108342
Energy: 0.7227280746350748
Energy: 0.6672581072338788
Energy: 0.665669530972686
Energy: 0.7095790251800494
Energy: 0.6656939370577334
Energy: 0.6672581072372311
Energy: 0.6656695309762711
Energy: 0.7095790251795373
Energy: 0.6706671583688966
Energy: 0.6829525701937545
Energy: 0.7497530882813008
Energy: 0.6782150520152935
Energy: 0.6706671583711782
Energy: 0.6829525701944995
Energy: 0.749753088281813
Energy: 0.6674163636236937
Energy: 0.664849487228172
Energy: 0.7386075534656547
Energy: 0.689690815213056
Energy: 0.6674163636170356
Energy: 0.664849487228172
Energy: 0.7386075534646304
Energy: 0.6710970222122612
Energy: 0.6644023173104694
Energy: 0.7075301674628177
Energy: 0.662885375388368
Energy: 0.6710970222091882
Energy: 0.6644023173145667
Energy: 0.7075301674623056
Energy: 0.7044324676412488
Energy: 0.6656017188631983
Energy: 0.7447269055190952
Energy: 0.6589988793199602
Energy: 0.7044324676379432
Energy: 0.6656017188644555
Energy: 0.7447269055196073
Energy: 0.6445222587789309
Energy: 0.6682948281775463
Energy: 0.7013175040729638
Energy: 0.6640476484463133
Energy: 0.644522258778698
Energy: 0.668294828176522
Energy: 0.7013175040660263
Energy: 0.7046270098816183
Energy: 0.6827702448261699
Energy: 0.6979419733214631
Energy: 0.6789920737657417
Energy: 0.7046270098841791
Energy: 0.6827702448302673
Energy: 0.7080462091191069
Energy: 0.6327816447373619
Energy: 0.6867688240800818
Energy: 0.7056752497223564
Energy: 0.6313868139670923
Energy: 0.6327816447381068
Energy: 0.6867688240772883
Energy: 0.7056752497218443
Energy: 0.6474001439011688
Energy: 0.6506935293955032
Energy: 0.714357290369179
Energy: 0.6985976819524747
Energy: 0.647400143901681
Energy: 0.6506935293968069
Energy: 0.7143572903653147
Energy: 0.6318898600426537
Energy: 0.6607837883497646
Energy: 0.6904384007120978
Energy: 0.647299176328167
Energy: 0.6318898600426537
Energy: 0.6607837883528375
Energy: 0.6904384007120978
Energy: 0.6546324165503797
Energy: 0.6324210604805013
Energy: 0.7321788805193669
Energy: 0.6959739040677696
Energy: 0.6546324165478189
Energy: 0.632421060478732
Energy: 0.7321788805203913
Energy: 0.6711320214939013
Energy: 0.6641174370079128
Energy: 0.6865786020371265
Energy: 0.6474784197838246
Energy: 0.6711320214946462
Energy: 0.6641174370074007
Energy: 0.6865786020355901
Energy: 0.6564263564395458
Energy: 0.6737682279502613
Energy: 0.705133483989198
Energy: 0.720882812896849
Energy: 0.6564263564349364
Energy: 0.6737682279497491
Energy: 0.7051334839864043
Energy: 0.6771810878874317
Energy: 0.6909104473238883
Energy: 0.7129023346938443
Energy: 0.6718555004558555
Energy: 0.6771810878909703
Energy: 0.6909104473213273
Energy: 0.7129023346946357
Energy: 0.6975253523457751
Energy: 0.6698160050454366
Energy: 0.6687880945350905
Energy: 0.708922113516727
Energy: 0.6975253523460546
Energy: 0.6698160050477646
Energy: 0.6687880945333212
Energy: 0.6658152185601559
Energy: 0.72698830360041
Energy: 0.7196286523967319
Energy: 0.6981010859312968
Energy: 0.6658152185578745
Energy: 0.7269883036026914
Energy: 0.7196286523941713
Energy: 0.6969502267109168
Energy: 0.6703926840109515
Energy: 0.709263038157583
Energy: 0.706020379792894
Energy: 0.6969502267109168
Energy: 0.670392684011743
Energy: 0.7092630381606558
Energy: 0.6650431222168238
Energy: 0.6917786226277758
Energy: 0.693866667308896
Energy: 0.7035292140642615
Energy: 0.6650431222155667
Energy: 0.6917786226249357
Energy: 0.6938666673063351
Energy: 0.6489477086543287
Energy: 0.6701640619773035
Energy: 0.7172471075852139
Energy: 0.7236066325741353
Energy: 0.6489477086530252
Energy: 0.6701640619798641
Energy: 0.7172471075898235
Energy: 0.665171066869752
Energy: 0.6470708791463426
Energy: 0.6691690846360426
Energy: 0.6659260687913355
Energy: 0.6651710668694726
Energy: 0.6470708791468548
Energy: 0.6691690846312005
Energy: 0.6487202587791145
Energy: 0.6544724972059831
Energy: 0.7325804988400857
Energy: 0.6831909092444518
Energy: 0.6487202587809302
Energy: 0.6544724972011409
Energy: 0.7325804988423673
Energy: 0.6444138682515002
Energy: 0.6458729877513597
Energy: 0.6631993640794542
Energy: 0.6429073434048647
Energy: 0.6444138682515002
Energy: 0.6458729877526633
Energy: 0.6631993640801992
Energy: 0.6496135632461179
Energy: 0.6445447014575758
Energy: 0.722402283480853
Energy: 0.6797851299562441
Energy: 0.6496135632427655
Energy: 0.6445447014588794
Energy: 0.7224022834810859
Energy: 0.6442610425361732
Energy: 0.6453581662471454
Energy: 0.6652957788218443
Energy: 0.6385268549965517
Energy: 0.644261042535661
Energy: 0.6453581662440725
Energy: 0.6652957788238929
Energy: 0.6476733447617028
Energy: 0.6409899760986596
Energy: 0.6884123049633762
Energy: 0.6824157185782761
Energy: 0.6476733447614234
Energy: 0.640989976093538
Energy: 0.6884123049633762
Energy: 0.6525201645332853
Energy: 0.6475127994217402
Energy: 0.6841831873119826
Energy: 0.6387855407416564
Energy: 0.6525201645284431
Energy: 0.6475127994220197
Energy: 0.6841831873127275
Energy: 0.6475632605396718
Energy: 0.6665212514022028
Energy: 0.7445604815700172
Energy: 0.6796557887912636
Energy: 0.6475632605406961
Energy: 0.6665212514014112
Energy: 0.7445604815687135
Energy: 0.6510495700172041
Energy: 0.6736974736775518
Energy: 0.7009512003160893
Energy: 0.6767225124700965
Energy: 0.6510495700161799
Energy: 0.6736974736816491
Energy: 0.70095120031581
Energy: 0.6962508323127313
Energy: 0.6668799635035785
Energy: 0.7640429553081532
Energy: 0.6850533847502668
Energy: 0.6962508323063528
Energy: 0.6668799635030664
Energy: 0.7640429553066168
Energy: 0.6678446938675981
Energy: 0.6625042168474524
Energy: 0.7493507871533669
Energy: 0.7031203154097525
Energy: 0.6678446938673187
Energy: 0.6625042168415394
Energy: 0.7493507871515511
Energy: 0.6711565560203393
Energy: 0.6669431460753321
Energy: 0.7208623280325707
Energy: 0.6858882974706416
Energy: 0.6711565560157299
Energy: 0.6669431460796621
Energy: 0.7208623280320586
Energy: 0.6882736682264249
Energy: 0.6656156564772647
Energy: 0.7431724896617026
Energy: 0.6397183987668796
Energy: 0.6882736682297305
Energy: 0.6656156564785684
Energy: 0.7431724896647756
Energy: 0.6444834817165623
Energy: 0.668814607174606
Energy: 0.717486787164283
Energy: 0.6775877399470248
Energy: 0.6444834817175866
Energy: 0.6688146071727902
Energy: 0.7174867871653073

minimum gb energy = 0.6313868139670923 eV
minimum distance =  2.52931720186051 Angstroms
sigma value = 365


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

Energy: 0.6800300799519764
Energy: 0.5225062408241701
Energy: 0.5449067851158228
Energy: 0.5225062408230154
Energy: 0.6800300799519764
Energy: 0.5225062408241701
Energy: 0.6267680986449087
Energy: 0.6800300799513992
Energy: 0.5225062408224381
Energy: 0.6648516579417553
Energy: 0.5225062408218608
Energy: 0.6800300799519764
Energy: 0.5225062408235928
Energy: 0.5924942469945058
Energy: 0.6800300799513992
Energy: 0.5225062408235928
Energy: 0.61620856270776
Energy: 0.5225062408224381
Energy: 0.6800300799508218
Energy: 0.5225062408212834
Energy: 0.5924749289021701
Energy: 0.6800300799513992
Energy: 0.5225062408224381
Energy: 0.6141243333078665
Energy: 0.5225062408230154
Energy: 0.6800300799519764
Energy: 0.5225062408224381
Energy: 0.6266451988946254
Energy: 0.6800300799502444
Energy: 0.5225062408224381
Energy: 0.6560842243664893
Energy: 0.5225062408218608
Energy: 0.6800300799513992
Energy: 0.5225062408230154
Energy: 0.5924749289027476
Energy: 0.6800300799513992
Energy: 0.5225062408230154
Energy: 0.5924942469945058
Energy: 0.5225062408224381
Energy: 0.6800300799525539
Energy: 0.5225062408218608
Energy: 0.5922958038487477
Energy: 0.6800300799525539
Energy: 0.5225062408230154
Energy: 0.6266451988905839
Energy: 0.5225062408230154
Energy: 0.6800300799525539
Energy: 0.5225062408235928
Energy: 0.6266451989021311
Energy: 0.6800300799502444
Energy: 0.5225062408230154
Energy: 0.6993838037039618
Energy: 0.5225062408218608
Energy: 0.6800300799525539
Energy: 0.5225062408241701
Energy: 0.592295803873548
Energy: 0.6800300799513992
Energy: 0.5225062408235928
Energy: 0.5924942469945058
Energy: 0.5225062408224381
Energy: 0.6800300799519764
Energy: 0.5225062408224381
Energy: 0.5924749289033249
Energy: 0.6800300799519764
Energy: 0.5225062408224381
Energy: 0.6267680986391614
Energy: 0.5225062408224381
Energy: 0.6800300799519764
Energy: 0.5225062408230154
Energy: 0.6267680986432028
Energy: 0.6800300799513992
Energy: 0.5225062408218608
Energy: 0.5924749289039024
Energy: 0.5225062408218608
Energy: 0.6800300799519764
Energy: 0.5225062408241701
Energy: 0.5924749289044796
Energy: 0.6800300799519764
Energy: 0.5225062408253248
Energy: 0.5924942469945058
Energy: 0.5225062408235928
Energy: 0.6800300799525539
Energy: 0.5225062408224381
Energy: 0.5924942469950832
Energy: 0.6800300799519764
Energy: 0.5225062408230154
Energy: 0.5924942469956606
Energy: 0.5225062408224381
Energy: 0.6800300799513992
Energy: 0.5225062408235928
Energy: 0.5924942469950832
Energy: 0.6800300799513992
Energy: 0.5225062408230154
Energy: 0.5924942469956606
Energy: 0.5225062408212834
Energy: 0.6800300799513992
Energy: 0.5225062408241701
Energy: 0.5924942469950832
Energy: 0.6800300799513992
Energy: 0.5225062408235928
Energy: 0.5924942469956606
Energy: 0.5225062408230154
Energy: 0.6800300799519764
Energy: 0.5225062408235928
Energy: 0.5924942469956606
Energy: 0.6800300799519764
Energy: 0.5225062408230154
Energy: 0.5924942469950832
Energy: 0.5225062408224381
Energy: 0.6800300799519764
Energy: 0.5225062408230154
Energy: 0.5924942469945058
Energy: 0.6800300799508218
Energy: 0.5225062408218608
Energy: 0.5924942469950832
Energy: 0.5225062408218608
Energy: 0.6800300799519764
Energy: 0.5225062408230154
Energy: 0.5924942469945058
Energy: 0.6800300799513992
Energy: 0.5225062408235928
Energy: 0.5924942469945058
Energy: 0.5225062408235928
Energy: 0.6800300799519764
Energy: 0.5225062408218608
Energy: 0.5924942469956606
Energy: 0.6800300799513992
Energy: 0.5225062408230154
Energy: 0.5924942469945058
Energy: 0.5225062408224381
Energy: 0.6800300799519764
Energy: 0.5225062408235928
Energy: 0.5924942469945058
Energy: 0.6800300799513992
Energy: 0.5225062408224381
Energy: 0.5924942469945058
Energy: 0.5225062408224381
Energy: 0.6800300799513992
Energy: 0.5225062408235928
Energy: 0.5924942469950832

minimum gb energy = 0.5225062408212834 eV
minimum distance =  2.66159899178324 Angstroms
sigma value = 23