Model name: model_name=MEAM_LAMMPS_ParkFellingerLenosky_2012_Mo__MO_269937397263_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.167413122951984
cohesive_energy=6.817913822056273
mass=95.95
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: 0.021018342653522346
Energy: 0.31897185567914277
Energy: 0.021018342653818828
Energy: 0.3189718556804769
Energy: 0.021018342653818828
Energy: 0.3189718556827376
Energy: 0.021018342653818828
Energy: 0.02221224920751749
Energy: 0.6468199853877834
Energy: 0.02221224920818457
Energy: 0.6468199853871164
Energy: 0.02221224920751749
Energy: 0.6468199853874499
Energy: 0.022212249207851028
Energy: 0.8558969866448095
Energy: 0.6072182381571971
Energy: 0.8558969866444759
Energy: 0.6072182381601248
Energy: 0.8558969866448095
Energy: 0.6072182381575306
Energy: 0.8558969866448095
Energy: 0.022212249206553927
Energy: 0.6468199853864863
Energy: 0.02221224920688747
Energy: 0.6468199853864863
Energy: 0.022212249206553927
Energy: 0.6468199853858193
Energy: 0.02221224920688747
Energy: 0.021018342653818828
Energy: 0.31897185568014336
Energy: 0.021018342653818828
Energy: 0.31897185568014336
Energy: 0.021018342653818828
Energy: 0.31897185568210756
Energy: 0.021018342653818828
Energy: 0.022212249206220384
Energy: 0.6468199853854858
Energy: 0.02221224920688747
Energy: 0.6468199853864863
Energy: 0.022212249206553927
Energy: 0.6468199853858193
Energy: 0.02221224920688747

minimum gb energy = 0.021018342653522346 eV
minimum distance =  2.73839880771143 Angstroms
sigma value = 5


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

Energy: 2.1532255351847036
Energy: 2.154326148206392
Energy: 2.1532255351847036
Energy: 2.1543261481785017
Energy: 2.1532255351807192
Energy: 2.1543261481944387
Energy: 2.1532255351847036
Energy: 2.1250286232565556
Energy: 2.0639333507285933
Energy: 2.125028623264525
Energy: 2.0639333507325777
Energy: 2.1250286232565556
Energy: 2.0639333507285933
Energy: 2.12502862326054
Energy: 2.008346796905147
Energy: 2.0399277949235612
Energy: 2.008346796905147
Energy: 2.0399277949235612
Energy: 2.008346796905147
Energy: 2.0399277949235612
Energy: 2.008346796905147
Energy: 2.028756082190561
Energy: 2.1468278826505047
Energy: 2.028756082194546
Energy: 2.1468278826505047
Energy: 2.028756082190561
Energy: 2.1468278826544887
Energy: 2.028756082194546
Energy: 2.0310901103025207
Energy: 2.1525284891151126
Energy: 2.031090110298537
Energy: 2.152528489119097
Energy: 2.031090110298537
Energy: 2.1525284891151126
Energy: 2.031090110298537
Energy: 2.039828142240896
Energy: 2.1489565336775414
Energy: 2.0398281422249585
Energy: 2.1489565336655887
Energy: 2.039828142240896
Energy: 2.1489565336775414
Energy: 2.0398281422329267
Energy: 2.0904345103262
Energy: 2.146336065978663
Energy: 2.090434510318232
Energy: 2.146336065978663
Energy: 2.0904345103262
Energy: 2.146336065978663
Energy: 2.090434510318232
Energy: 2.0511673901854226
Energy: 2.1720283124558657
Energy: 2.0511673901854226
Energy: 2.172028312443913
Energy: 2.0511673901854226
Energy: 2.1720283124558657
Energy: 2.0511673901814382
Energy: 2.0515747562852353
Energy: 2.141743586545035
Energy: 2.05157475628922
Energy: 2.141743586541051
Energy: 2.0515747562852353
Energy: 2.141743586545035
Energy: 2.05157475628922
Energy: 2.0173149524009903
Energy: 2.0210125923666404
Energy: 2.0173149523851257
Energy: 2.0210125923626565
Energy: 2.0173149524009903
Energy: 2.0210125923666404
Energy: 2.017314952397006
Energy: 2.091654276417167
Energy: 2.067738159945859
Energy: 2.091654276417167
Energy: 2.067738159945859
Energy: 2.091654276421151
Energy: 2.067738159945859
Energy: 2.091654276421151
Energy: 2.0634578636341576
Energy: 2.0307684872127036
Energy: 2.0634578636341576
Energy: 2.030768487216688
Energy: 2.0634578636341576
Energy: 2.0307684872127036
Energy: 2.0634578636341576
Energy: 2.095848940227048
Energy: 2.1758738024251723
Energy: 2.095848940231032
Energy: 2.1758738024251723
Energy: 2.095848940227048
Energy: 2.1758738024251723
Energy: 2.095848940231032
Energy: 2.0297415286327
Energy: 2.092003850184319
Energy: 2.0297415286248035
Energy: 2.0920038501922877
Energy: 2.0297415286327
Energy: 2.092003850184319
Energy: 2.0297415286248035
Energy: 2.0250155711510867
Energy: 2.143664737578514
Energy: 2.025015571147102
Energy: 2.1436647375705453
Energy: 2.0250155711510867
Energy: 2.143664737578514
Energy: 2.025015571147102
Energy: 2.0317747064991147
Energy: 2.092423771647336
Energy: 2.0317747065070835
Energy: 2.0924237716433516
Energy: 2.0317747064991147
Energy: 2.092423771647336
Energy: 2.0317747065070835
Energy: 2.088222769441612
Energy: 2.0688979570912602
Energy: 2.0882227694495805
Energy: 2.0688979570872763
Energy: 2.088222769441612
Energy: 2.0688979570872763
Energy: 2.0882227694495805
Energy: 2.037923133851815
Energy: 2.0721874390403725
Energy: 2.037923133851815
Energy: 2.072187439044357
Energy: 2.037923133851815
Energy: 2.0721874390403725
Energy: 2.037923133851815
Energy: 2.118250390634336
Energy: 2.0618555676413535
Energy: 2.118250390630352
Energy: 2.0618555676413535
Energy: 2.118250390634336
Energy: 2.0618555676413535
Energy: 2.118250390630352
Energy: 2.1183628086639654
Energy: 2.032109257333529
Energy: 2.1183628086560695
Energy: 2.0321092573414976
Energy: 2.1183628086639654
Energy: 2.032109257337513
Energy: 2.1183628086560695
Energy: 2.0938399598218087
Energy: 2.0092313201934586
Energy: 2.0938399598178243
Energy: 2.0092313201894743
Energy: 2.0938399598218087
Energy: 2.0092313201934586
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Energy: 2.055478036323035
Energy: 2.029107249994442
Energy: 2.055478036323035
Energy: 2.029107249994442
Energy: 2.055478036323035
Energy: 2.029107249994442
Energy: 2.0554780363190512
Energy: 2.055732935934211
Energy: 2.137359096544646
Energy: 2.055732935938195
Energy: 2.137359096544646
Energy: 2.055732935934211
Energy: 2.137359096544646
Energy: 2.055732935938195
Energy: 2.0887833150250334
Energy: 2.092347352052586
Energy: 2.0887833150170647
Energy: 2.092347352052586
Energy: 2.0887833150250334
Energy: 2.092347352052586
Energy: 2.0887833150170647
Energy: 2.091444009385898
Energy: 2.1655003584037593
Energy: 2.0914440093819135
Energy: 2.1655003584077437
Energy: 2.091444009385898
Energy: 2.1655003584037593
Energy: 2.0914440093819135
Energy: 2.1581236697515633
Energy: 2.2225417084639623
Energy: 2.1581236697475794
Energy: 2.222541708467946
Energy: 2.1581236697475794
Energy: 2.2225417084639623
Energy: 2.1581236697515633
Energy: 2.0252588264551057
Energy: 2.1055924041699323
Energy: 2.0252588264590896
Energy: 2.1055924041699323
Energy: 2.0252588264551057
Energy: 2.1055924041699323
Energy: 2.0252588264551057
Energy: 2.2442187648998
Energy: 2.0262340550700255
Energy: 2.244218764887847
Energy: 2.026234055066041
Energy: 2.2442187648998
Energy: 2.0262340550700255
Energy: 2.244218764887847
Energy: 2.006667970972629
Energy: 2.0585843460898126
Energy: 2.006667970976613
Energy: 2.0585843460898126
Energy: 2.006667970976613
Energy: 2.0585843460898126
Energy: 2.006667970976613
Energy: 2.1534273839806595
Energy: 2.222059756127282
Energy: 2.153427383984644
Energy: 2.2220597561312663
Energy: 2.1534273839806595
Energy: 2.2220597561312663
Energy: 2.153427383984644
Energy: 2.1186695125306323
Energy: 2.1536171276860028
Energy: 2.118669512526648
Energy: 2.1536171276899867
Energy: 2.1186695125306323
Energy: 2.1536171276860028
Energy: 2.118669512526648
Energy: 2.07025470453032
Energy: 2.0763716839033943
Energy: 2.070254704522352
Energy: 2.0763716838914417
Energy: 2.07025470453032
Energy: 2.0763716839033943
Energy: 2.0702547045183675
Energy: 2.01134156665432
Energy: 2.063059169188921
Energy: 2.011341566662289
Energy: 2.0630591691849367
Energy: 2.0113415666583045
Energy: 2.063059169188921
Energy: 2.0113415666583045
Energy: 2.029106008477168
Energy: 2.1202535020684774
Energy: 2.0291060084731836
Energy: 2.1202535020724618
Energy: 2.029106008477168
Energy: 2.1202535020684774
Energy: 2.0291060084731836
Energy: 2.0271628214340804
Energy: 2.1470238416138
Energy: 2.0271628214340804
Energy: 2.1470238416138
Energy: 2.0271628214340804
Energy: 2.1470238416138
Energy: 2.0271628214340804
Energy: 2.08884336158007
Energy: 2.1700834487424516
Energy: 2.0888433615880393
Energy: 2.1700834487424516
Energy: 2.088843361584055
Energy: 2.1700834487424516
Energy: 2.0888433615880393
Energy: 2.1805643432855595
Energy: 2.14877953106363
Energy: 2.1805643432895434
Energy: 2.148779531071599
Energy: 2.180564343293528
Energy: 2.14877953106363
Energy: 2.1805643432855595
Energy: 2.0522677166552286
Energy: 2.172610370271746
Energy: 2.052267716659213
Energy: 2.172610370267762
Energy: 2.0522677166552286
Energy: 2.172610370271746
Energy: 2.0522677166631973
Energy: 2.0506263321151326
Energy: 2.1506199417708127
Energy: 2.0506263321191165
Energy: 2.1506199417708127
Energy: 2.0506263321151326
Energy: 2.1506199417708127
Energy: 2.0506263321191165
Energy: 2.0063997283587036
Energy: 1.991352071805776
Energy: 2.0063997283626884
Energy: 1.9913520718097604
Energy: 2.0063997283587036
Energy: 1.991352071805776
Energy: 2.0063997283626884
Energy: 2.1644945661270047
Energy: 2.117951666216468
Energy: 2.1644945661190365
Energy: 2.1179516662124835
Energy: 2.1644945661270047
Energy: 2.117951666216468
Energy: 2.1644945661190365
Energy: 2.0634830318265176
Energy: 2.03093699865034
Energy: 2.0634830318225332
Energy: 2.03093699865034
Energy: 2.0634830318225332
Energy: 2.03093699865034
Energy: 2.0634830318225332
Energy: 2.0764029364599113
Energy: 2.1451835472431684
Energy: 2.0764029364599113
Energy: 2.1451835472511367
Energy: 2.0764029364559993
Energy: 2.1451835472431684
Energy: 2.0764029364559993
Energy: 2.028694930606289
Energy: 2.0742727642555385
Energy: 2.028694930606289
Energy: 2.0742727642635073
Energy: 2.028694930606289
Energy: 2.0742727642555385
Energy: 2.028694930606289
Energy: 2.026789306839981
Energy: 2.1506659987268755
Energy: 2.0267893068439653
Energy: 2.1506659987228907
Energy: 2.026789306839981
Energy: 2.1506659987228907
Energy: 2.0267893068439653
Energy: 2.0358860466940354
Energy: 2.0858113360949866
Energy: 2.0358860466900515
Energy: 2.0858113360949866
Energy: 2.0358860466940354
Energy: 2.0858113360910018
Energy: 2.0358860466900515
Energy: 2.0335018894610006
Energy: 2.051538331559539
Energy: 2.0335018894610006
Energy: 2.051538331559539
Energy: 2.0335018894610006
Energy: 2.051538331559539
Energy: 2.0335018894610006

minimum gb energy = 1.991352071805776 eV
minimum distance =  2.44658507683693 Angstroms
sigma value = 401


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

Energy: 2.3341863880562057
Energy: 2.141899740358189
Energy: 2.334186388037622
Energy: 2.141899740360903
Energy: 2.3341863880349085
Energy: 2.141899740347829
Energy: 2.3341863880448583
Energy: 2.0965741827152606
Energy: 2.2103062321142524
Energy: 2.0965741827215107
Energy: 2.2103062321219817
Energy: 2.0965741827134523
Energy: 2.2103062321196796
Energy: 2.096574182704818
Energy: 2.084000210585226
Energy: 2.108375384110756
Energy: 2.0840002105892554
Energy: 2.108375384108453
Energy: 2.0840002105847324
Energy: 2.1083753841030264
Energy: 2.084000210591969
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Energy: 2.2539287472171394
Energy: 2.054455565940267
Energy: 2.2539287472302134
Energy: 2.0544555659339356
Energy: 2.2539287472198524
Energy: 2.054455565940267
Energy: 2.0778634221936136
Energy: 2.23628379833739
Energy: 2.0778634222017547
Energy: 2.236283798339199
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Energy: 2.236283798345531
Energy: 2.0778634222017547
Energy: 2.104960582829768
Energy: 2.1781110151061154
Energy: 2.1049605828207234
Energy: 2.1781110151047995
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Energy: 2.1781110151061154
Energy: 2.1049605828212163
Energy: 2.1034408963030065
Energy: 2.1789459288151725
Energy: 2.1034408963070357
Energy: 2.1789459288151725
Energy: 2.1034408962997992
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Energy: 2.1034408963088445
Energy: 2.0957773521227536
Energy: 2.2350671576132584
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Energy: 2.0957773521114063
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Energy: 2.173866710680101
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Energy: 2.1738667106683423
Energy: 2.177601618155084
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Energy: 2.2061560767045507
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Energy: 2.178111015110638
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Energy: 2.094315205684168
Energy: 2.2298298626728257
Energy: 2.0943152056963372
Energy: 2.1014503997863505
Energy: 2.1790890352621126
Energy: 2.1014503997885705
Energy: 2.1790890352720624
Energy: 2.1014503997867617
Energy: 2.1790890352621126
Energy: 2.101450399794491
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Energy: 2.2116983357065787
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Energy: 2.1214942526646445
Energy: 2.2116983357070716
Energy: 2.1214942526695784
Energy: 2.0890326128025447
Energy: 2.0789071922554494
Energy: 2.08903261279942
Energy: 2.078907192256848
Energy: 2.089032612802134
Energy: 2.078907192255038
Energy: 2.08903261279942
Energy: 2.236859720336748
Energy: 2.173866710680101
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Energy: 2.1738667106705623
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Energy: 2.173866710679607
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Energy: 2.334186388053903
Energy: 2.1418997403595874
Energy: 2.334186388037622
Energy: 2.141899740362712
Energy: 2.3341863880372107
Energy: 2.141899740350953
Energy: 2.334186388046667
Energy: 2.0965741827147677
Energy: 2.2103062321088256
Energy: 2.0965741827170703
Energy: 2.210306232118775
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Energy: 2.2103062321196796
Energy: 2.096574182704818
Energy: 2.084000210586542
Energy: 2.108375384108453
Energy: 2.0840002105950934
Energy: 2.1083753841053285
Energy: 2.0840002105896662
Energy: 2.1083753841008064
Energy: 2.084000210594189
Energy: 2.05445556593484
Energy: 2.2539287472166456
Energy: 2.0544555659438855
Energy: 2.2539287472315293
Energy: 2.05445556593484
Energy: 2.2539287472216616
Energy: 2.0544555659442967
Energy: 2.077863422190489
Energy: 2.2362837983364856
Energy: 2.077863422196327
Energy: 2.236283798342817
Energy: 2.0778634221909
Energy: 2.236283798348244
Energy: 2.0778634221959162
Energy: 2.104960582832975
Energy: 2.1781110151047995
Energy: 2.1049605828252456
Energy: 2.178111015103895
Energy: 2.1049605828315774
Energy: 2.1781110151047995
Energy: 2.1049605828203117
Energy: 2.1034408962961813
Energy: 2.1789459288111437
Energy: 2.103440896298484
Energy: 2.178945928812048
Energy: 2.103440896297086
Energy: 2.178945928810732
Energy: 2.1034408962993885
Energy: 2.0957773521141196
Energy: 2.235067157615479
Energy: 2.095777352102361
Energy: 2.235067157615972
Energy: 2.095777352105568
Energy: 2.235067157618192
Energy: 2.0957773521073766
Energy: 2.094006464793572
Energy: 2.235400919537119
Energy: 2.0940064647781953
Energy: 2.23540091954123
Energy: 2.0940064647804153
Energy: 2.235400919536708
Energy: 2.0940064647818133
Energy: 2.1016188458618923
Energy: 2.179089035263428
Energy: 2.1016188458591785
Energy: 2.179089035274776
Energy: 2.101618845852847
Energy: 2.1790890352621126
Energy: 2.1016188458677307
Energy: 2.1166611266302833
Energy: 2.2116983357097855
Energy: 2.1166611266320925
Energy: 2.2116983357065787
Energy: 2.116661126626172
Energy: 2.2116983357101967
Energy: 2.1166611266284745
Energy: 2.089032612808876
Energy: 2.078907192253229
Energy: 2.089032612804354
Energy: 2.078907192254545
Energy: 2.08903261280937
Energy: 2.078907192253229
Energy: 2.0890326128048473
Energy: 2.1776016181537683
Energy: 2.173866710683719
Energy: 2.177601618147848
Energy: 2.173866710670151
Energy: 2.1776016181537683
Energy: 2.173866710683719
Energy: 2.1776016181469435
Energy: 2.2061560767050445
Energy: 2.0969293543820258
Energy: 2.2061560767023307
Energy: 2.0969293543820258
Energy: 2.2061560767050445
Energy: 2.0969293543825187
Energy: 2.2061560767018373
Energy: 2.069558700411561
Energy: 2.2107293695763928
Energy: 2.069558700405723
Energy: 2.210729369589056
Energy: 2.0695587004111498
Energy: 2.2107293695985124
Energy: 2.069558700405723

minimum gb energy = 2.0544555659339356 eV
minimum distance =  2.44276359929863 Angstroms
sigma value = 311


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

Energy: 2.1110887961105886
Energy: 2.164339375054388
Energy: 2.1110887961132
Energy: 2.164339375049688
Energy: 2.1110887961111113
Energy: 2.1643393750507327
Energy: 2.111088796107978
Energy: 2.1002781091463127
Energy: 2.0912434982068353
Energy: 2.1002781091541465
Energy: 2.091243498203179
Energy: 2.10027810915258
Energy: 2.0912434982057904
Energy: 2.100278109148924
Energy: 2.05842667068993
Energy: 2.1810348982480074
Energy: 2.058426670693063
Energy: 2.181034898247485
Energy: 2.058426670690452
Energy: 2.181034898251141
Energy: 2.058426670686274
Energy: 2.3218016437899633
Energy: 2.2890836969852746
Energy: 2.321801643792575
Energy: 2.28908369698423
Energy: 2.321801643788397
Energy: 2.289083696983186
Energy: 2.3218016437836972
Energy: 2.261910607494276
Energy: 2.252446820152662
Energy: 2.2619106074947983
Energy: 2.252446820158929
Energy: 2.261910607494276
Energy: 2.2524468201563175
Energy: 2.2619106074932316
Energy: 2.1704686242442564
Energy: 2.3230017427813308
Energy: 2.1704686242473894
Energy: 2.3230017427802867
Energy: 2.170468624243734
Energy: 2.323001742781853
Energy: 2.1704686242426896
Energy: 2.184651199754203
Energy: 2.3219002997756673
Energy: 2.1846511997521145
Energy: 2.3219002997735787
Energy: 2.1846511997562916
Energy: 2.3219002997709675
Energy: 2.1846511997536804
Energy: 2.2594678253654994
Energy: 2.2344282090256113
Energy: 2.259467825369677
Energy: 2.234428209027177
Energy: 2.259467825369677
Energy: 2.2344282090282226
Energy: 2.259467825367588
Energy: 2.2644618283164513
Energy: 2.233343028157681
Energy: 2.2644618283216733
Energy: 2.2333430281555926
Energy: 2.2644618283216733
Energy: 2.233343028153504
Energy: 2.264461828319062
Energy: 2.0562935314598985
Energy: 2.2012305851103
Energy: 2.056293531461465
Energy: 2.2012305851139558
Energy: 2.056293531461465
Energy: 2.2012305851165666
Energy: 2.0562935314645987
Energy: 2.0599265408729424
Energy: 2.2043593993700665
Energy: 2.059926540870331
Energy: 2.2043593993685002
Energy: 2.059926540870331
Energy: 2.204359399369022
Energy: 2.059926540876076
Energy: 2.3019236208275347
Energy: 2.251802798889781
Energy: 2.3019236208270124
Energy: 2.251802798890825
Energy: 2.3019236208332794
Energy: 2.251802798889781
Energy: 2.3019236208296237
Energy: 2.278286924754358
Energy: 2.2105991267274776
Energy: 2.278286924753314
Energy: 2.2105991267233
Energy: 2.278286924750181
Energy: 2.2105991267248664
Energy: 2.2782869247522695
Energy: 2.155288545178678
Energy: 2.203587313297408
Energy: 2.155288545179722
Energy: 2.2035873132984523
Energy: 2.1552885451792
Energy: 2.2035873133010635
Energy: 2.155288545178155
Energy: 2.2540677388933177
Energy: 2.3566792283194915
Energy: 2.2540677388927954
Energy: 2.356679228318969
Energy: 2.2540677388933177
Energy: 2.3566792283179248
Energy: 2.2540677388938395
Energy: 2.115104149103891
Energy: 2.2263607715278875
Energy: 2.1151041491028466
Energy: 2.226360771532065
Energy: 2.1151041491028466
Energy: 2.226360771529976
Energy: 2.1151041491007576
Energy: 2.108597458045901
Energy: 2.143293736035907
Energy: 2.10859745804799
Energy: 2.1432937360322515
Energy: 2.10859745804799
Energy: 2.1432937360301625
Energy: 2.1085974580448563
Energy: 2.0572813408809174
Energy: 2.183604086820326
Energy: 2.057281340881962
Energy: 2.1836040868187587
Energy: 2.057281340880395
Energy: 2.183604086817192
Energy: 2.057281340881439
Energy: 2.351167202799653
Energy: 2.374234273287293
Energy: 2.351167202799653
Energy: 2.374234273286771
Energy: 2.4114338063992022
Energy: 2.374234273287816
Energy: 2.313199840896032
Energy: 2.273724446024372
Energy: 2.3312389689533655
Energy: 2.2737244460228054
Energy: 2.3312389689517987
Energy: 2.273724446021286
Energy: 2.331238968952843
Energy: 2.2737244460254167
Energy: 2.183961933063019
Energy: 2.181527728237406
Energy: 2.1839619330583186
Energy: 2.181527728237928
Energy: 2.1839619330624966
Energy: 2.181527728238451
Energy: 2.183961933063541
Energy: 2.158307975379245
Energy: 2.2594021548086687
Energy: 2.158307975379245
Energy: 2.259402154807102
Energy: 2.158307975379767
Energy: 2.2594021548123244
Energy: 2.158307975379767
Energy: 2.2581651549633754
Energy: 2.168049026225545
Energy: 2.258165154960242
Energy: 2.1680490262245002
Energy: 2.2581651549597193
Energy: 2.1680490262265897
Energy: 2.2581651549581534
Energy: 2.2608471478862326
Energy: 2.341159706234309
Energy: 2.2608471478862326
Energy: 2.3411597062353535
Energy: 2.2608471478830996
Energy: 2.3411597062379643
Energy: 2.2608471478846663
Energy: 2.0516175461189983
Energy: 2.186590225804808
Energy: 2.051617546116387
Energy: 2.1865902258063743
Energy: 2.0516175461169093
Energy: 2.186590225807941
Energy: 2.0516175461189983
Energy: 2.1927257376519114
Energy: 2.23127457708602
Energy: 2.192725737654522
Energy: 2.23127457708602
Energy: 2.192725737652956
Energy: 2.2312745770870643
Energy: 2.1927257376540004
Energy: 2.2911536757296402
Energy: 2.2491016277781055
Energy: 2.2911536757275512
Energy: 2.24910162778385
Energy: 2.29115367572494
Energy: 2.2491016277828053
Energy: 2.2911536757233733
Energy: 2.2838915628075602
Energy: 2.3234907850985653
Energy: 2.2838915628059935
Energy: 2.3234907851011766
Energy: 2.2838915628106937
Energy: 2.3234907851053537
Energy: 2.283891562807038
Energy: 2.183895697808442
Energy: 2.1674178391423826
Energy: 2.1838956978079196
Energy: 2.167417839143949
Energy: 2.1838956978053083
Energy: 2.167417839144471
Energy: 2.1838956978047857
Energy: 2.2884642022492407
Energy: 2.3565138704048523
Energy: 2.28846420225133
Energy: 2.356513870403808
Energy: 2.2884642022539414
Energy: 2.3565138704048523
Energy: 2.2884642022528965
Energy: 2.1663824167639314
Energy: 2.2317261787242546
Energy: 2.166382416768631
Energy: 2.2317261787247773
Energy: 2.16638241676132
Energy: 2.231726178725822
Energy: 2.1663824167571897
Energy: 2.05561782006608
Energy: 2.2012286540405968
Energy: 2.0556178200650357
Energy: 2.2012286540374633
Energy: 2.055617820060335
Energy: 2.2012286540421635
Energy: 2.0556178200608577
Energy: 2.0582929427299783
Energy: 2.063403410468981
Energy: 2.058292942725278
Energy: 2.063403410472637
Energy: 2.058292942726845
Energy: 2.0634034104700256
Energy: 2.0582929427258008
Energy: 2.3014743279095997
Energy: 2.3772313427092975
Energy: 2.301474327912211
Energy: 2.377231342707731
Energy: 2.3014743279101215
Energy: 2.377231342707731
Energy: 2.3014743279085557
Energy: 2.3122879258121016
Energy: 2.3911044309611453
Energy: 2.3122879258074494
Energy: 2.391104430956968
Energy: 2.3122879258121016
Energy: 2.391104430959056
Energy: 2.312287925810535
Energy: 2.155809073420416
Energy: 2.2027252052902013
Energy: 2.1558090734183275
Energy: 2.2027252052928126
Energy: 2.1558090734183275
Energy: 2.202725205295946
Energy: 2.1558090734157167

minimum gb energy = 2.051617546116387 eV
minimum distance =  2.41220172454046 Angstroms
sigma value = 39


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

Energy: 2.147673229749427
Energy: 2.2214518373989547
Energy: 2.147673229756207
Energy: 2.2214518373958736
Energy: 2.147673229749427
Energy: 2.2214518373971064
Energy: 2.147673229756207
Energy: 2.2260000873033245
Energy: 2.0460318243406337
Energy: 2.226000087306406
Energy: 2.0460318243400173
Energy: 2.2260000873070225
Energy: 2.0460318243400173
Energy: 2.2260000873051737
Energy: 2.093626755149925
Energy: 2.1163858757906695
Energy: 2.093626755151773
Energy: 2.1163858757962166
Energy: 2.093626755148692
Energy: 2.116385875791902
Energy: 2.0936267551449936
Energy: 2.311903449184799
Energy: 2.0455110555618483
Energy: 2.311903449184183
Energy: 2.04551105556493
Energy: 2.311903449184183
Energy: 2.045511055563081
Energy: 2.3119034491878807
Energy: 2.2270189135073615
Energy: 2.044944550415083
Energy: 2.2270189135104435
Energy: 2.044944550418781
Energy: 2.2270189135104435
Energy: 2.044944550421246
Energy: 2.22701891350921
Energy: 2.2424109254323454
Energy: 2.092271501280726
Energy: 2.2424109254311126
Energy: 2.0922715012788773
Energy: 2.242410925431729
Energy: 2.092271501280726
Energy: 2.242410925431729
Energy: 2.2173930295448234
Energy: 2.09259943505781
Energy: 2.217393029541742
Energy: 2.09259943505781
Energy: 2.203704391739393
Energy: 2.0925994350602757
Energy: 2.229149318750792
Energy: 2.1343404888042095
Energy: 2.136710371358085
Energy: 2.1343404888005115
Energy: 2.1367103713599342
Energy: 2.1343404887992787
Energy: 2.1367103713611666
Energy: 2.134340488806058
Energy: 2.311302825686031
Energy: 2.138330505035515
Energy: 2.311302825684182
Energy: 2.1383305050385966
Energy: 2.311302825689113
Energy: 2.1383305050392134
Energy: 2.3113028256866475
Energy: 2.08912869776373
Energy: 2.2248433246213817
Energy: 2.0891286977649624
Energy: 2.2248433246201493
Energy: 2.0891286977649624
Energy: 2.224843324623231
Energy: 2.089128697761264
Energy: 2.230211186305567
Energy: 2.0931226289165115
Energy: 2.249792524126234
Energy: 2.093122628919593
Energy: 2.2497925241274666
Energy: 2.093122628920826
Energy: 2.249792524126234
Energy: 2.0939473185119324
Energy: 2.0454005124335235
Energy: 2.0939473185106996
Energy: 2.045400512429826
Energy: 2.0939473185076185
Energy: 2.0454005124359886
Energy: 2.093947318512549
Energy: 2.0457363225679774
Energy: 2.10437342932129
Energy: 2.0457363225655123
Energy: 2.1043734293225227
Energy: 2.0457363225710594
Energy: 2.1043734293194967
Energy: 2.0457363225747573
Energy: 2.0900414066370097
Energy: 2.0450033330492925
Energy: 2.090041406630846
Energy: 2.0450033330492925
Energy: 2.0900414066339272
Energy: 2.0450033330474433
Energy: 2.090041406635777
Energy: 2.17365295249226
Energy: 2.173136452459213
Energy: 2.1736529524879455
Energy: 2.1731364524647603
Energy: 2.173652952494725
Energy: 2.1731364524598296
Energy: 2.152269178513187
Energy: 2.090000161697078
Energy: 2.093176441931497
Energy: 2.090000161703241
Energy: 2.0931764419351953
Energy: 2.0900001616995425
Energy: 2.0931764419407424
Energy: 2.090000161695228
Energy: 2.1453532749660287
Energy: 2.1498857838767678
Energy: 2.145353274966645
Energy: 2.149885783876152
Energy: 2.145353274969727
Energy: 2.149885783877384
Energy: 2.145353274967878
Energy: 2.1359685700509337
Energy: 2.136461126138367
Energy: 2.1359685700490845
Energy: 2.136461126137751
Energy: 2.1359685700472353
Energy: 2.136461126140216
Energy: 2.1359685700503173
Energy: 2.2271853285469816
Energy: 2.144036533205937
Energy: 2.2271853285439
Energy: 2.144036533205937
Energy: 2.227185328547598
Energy: 2.1440365332090194
Energy: 2.227185328548831
Energy: 2.0893352191267716
Energy: 2.2215706782241167
Energy: 2.08933521913047
Energy: 2.2215706782253495
Energy: 2.0893352191280044
Energy: 2.221570678227814
Energy: 2.089335219125539
Energy: 2.2269569315121402
Energy: 2.0469378390469273
Energy: 2.2269569315127566
Energy: 2.046937839046311
Energy: 2.226956931513373
Energy: 2.046937839046311
Energy: 2.226956931513373
Energy: 2.093687712719959
Energy: 2.045587123436538
Energy: 2.0936877127181104
Energy: 2.045587123433457
Energy: 2.0936877127181104
Energy: 2.0455871234390037
Energy: 2.093687712718727
Energy: 2.3005154057486537
Energy: 2.045877481514673
Energy: 2.3005154057498305
Energy: 2.04587748150851
Energy: 2.3268817779923037
Energy: 2.04587748150851
Energy: 2.3005154057510633
Energy: 2.2212446543645927
Energy: 2.0449094194438877
Energy: 2.2212446543645927
Energy: 2.044909419443272
Energy: 2.2212446543726054
Energy: 2.0449094194482025
Energy: 2.2212446543695235
Energy: 2.2478721305022193
Energy: 2.0938427859569146
Energy: 2.247872130499137
Energy: 2.093842785951984
Energy: 2.247872130497904
Energy: 2.093842785951984
Energy: 2.2478721305003697
Energy: 2.2181478904581216
Energy: 2.1451205070009856
Energy: 2.218147890458738
Energy: 2.1451205070065322
Energy: 2.218147890458738
Energy: 2.1451205070052994
Energy: 2.2181478904513976
Energy: 2.13724241389502
Energy: 2.176573332471655
Energy: 2.1372424138962534
Energy: 2.1765733324722714
Energy: 2.137242413898718
Energy: 2.1765733324728878
Energy: 2.137242413898718
Energy: 2.219682913524434
Energy: 2.141236721437365
Energy: 2.21968291352505
Energy: 2.141236721435516
Energy: 2.2196829135262823
Energy: 2.1412367214342836
Energy: 2.2196829135299807
Energy: 2.1476732297488113
Energy: 2.221451837399571
Energy: 2.147673229756207
Energy: 2.2214518373958736
Energy: 2.147673229748195
Energy: 2.2214518373977223
Energy: 2.147673229756823
Energy: 2.2260000873014754
Energy: 2.046031824339401
Energy: 2.22600008730579
Energy: 2.046031824339401
Energy: 2.2260000873045573
Energy: 2.046031824339401
Energy: 2.226000087303941

minimum gb energy = 2.044909419443272 eV
minimum distance =  2.46911880227828 Angstroms
sigma value = 21


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

Energy: 2.1239431638532387
Energy: 2.121919513559198
Energy: 2.123943163854735
Energy: 2.121919513559198
Energy: 2.123943163853987
Energy: 2.12191951355845
Energy: 2.123943163853987
Energy: 2.0022014542821527
Energy: 1.979572463151375
Energy: 2.0022014542829005
Energy: 1.9795724631521234
Energy: 2.0022014542821527
Energy: 1.979572463151375
Energy: 2.0022014542821527
Energy: 2.0717056010703887
Energy: 2.107779478921817
Energy: 2.0717056010673955
Energy: 2.107779478921817
Energy: 2.0717056010703887
Energy: 2.107779478921817
Energy: 2.0717056010673955
Energy: 1.9633038318439373
Energy: 1.9794255907656126
Energy: 1.9633038318439373
Energy: 1.9794255907641158
Energy: 1.9633038318439373
Energy: 1.9794255907648644
Energy: 1.9633038318446852
Energy: 2.0393114015066587
Energy: 1.9383889060541097
Energy: 2.0393114015074065
Energy: 1.9383889060548578
Energy: 2.0393114015066587
Energy: 1.9383889060548578
Energy: 2.0393114015074065
Energy: 1.9566178266256349
Energy: 2.007055789048354
Energy: 1.9566178266256349
Energy: 2.007055789046858
Energy: 1.9566178266256349
Energy: 2.007055789048354
Energy: 1.956617826626383
Energy: 1.9097418303244416
Energy: 2.111198057120575
Energy: 1.9097418303229452
Energy: 2.111198057120575
Energy: 1.9097418303236935
Energy: 2.111198057120575
Energy: 1.9097418303236935
Energy: 2.050183106892931
Energy: 2.0057517507329314
Energy: 2.050183106892931
Energy: 2.0057517507336797
Energy: 2.050183106892931
Energy: 2.005751750732183
Energy: 2.050183106892931
Energy: 2.03091403684376
Energy: 1.99151643180269
Energy: 2.030914036843012
Energy: 1.99151643180269
Energy: 2.03091403684376
Energy: 1.99151643180269
Energy: 2.03091403684376
Energy: 1.9633701913034158
Energy: 2.1113305136810134
Energy: 1.9633701913034158
Energy: 2.1113305136817613
Energy: 1.9633701913034158
Energy: 2.1113305136817613
Energy: 1.9633701913034158
Energy: 1.9097549788914552
Energy: 2.005749851223837
Energy: 1.9097549788914552
Energy: 2.005749851222341
Energy: 1.9097549788914552
Energy: 2.005749851224585
Energy: 1.909754978892203
Energy: 2.0237720427372015
Energy: 1.9777612885373963
Energy: 2.0237720427364536
Energy: 1.9777612885373963
Energy: 2.0237720427364536
Energy: 1.9777612885373963
Energy: 2.0237720427364536
Energy: 1.9638917718273914
Energy: 1.990266289048317
Energy: 1.9638917718288877
Energy: 1.9902662890468206
Energy: 1.9638917718266433
Energy: 1.990266289048317
Energy: 1.96389177182814
Energy: 2.024634655995387
Energy: 2.106654769164246
Energy: 2.024634655997632
Energy: 2.1066547691649937
Energy: 2.024634655995387
Energy: 2.106654769165742
Energy: 2.0246346559968833
Energy: 2.026339258006495
Energy: 2.0052799572606483
Energy: 2.0263392580057467
Energy: 2.005279957258404
Energy: 2.026339258006495
Energy: 2.0052799572613966
Energy: 2.0263392580057467
Energy: 2.095498778167049
Energy: 2.084099188826295
Energy: 2.095498778167049
Energy: 2.084099188827043
Energy: 2.095498778167049
Energy: 2.084099188827043
Energy: 2.095498778167798
Energy: 2.041768848315238
Energy: 2.0022005474958076
Energy: 2.041768848315238
Energy: 2.0022005474935627
Energy: 2.0417688483144896
Energy: 2.0022005474958076
Energy: 2.041768848315238
Energy: 1.9960650208039603
Energy: 2.106726368848378
Energy: 1.9960650208054567
Energy: 2.1067263688498743
Energy: 1.9960650208039603
Energy: 2.106726368849126
Energy: 1.9960650208054567
Energy: 2.0212228636516043
Energy: 2.0056449170238086
Energy: 2.021222863654597
Energy: 2.0056449170238086
Energy: 2.0212228636523526
Energy: 2.0056449170238086
Energy: 2.0212228636553458
Energy: 2.023801880120683
Energy: 1.9402102823028298
Energy: 2.023801880121432
Energy: 1.940210282304326
Energy: 2.023801880120683
Energy: 1.9402102823020815
Energy: 2.023801880121432
Energy: 1.963460447055626
Energy: 2.0949797551368023
Energy: 1.963460447055626
Energy: 2.0949797551375506
Energy: 1.963460447055626
Energy: 2.0949797551375506
Energy: 1.963460447055626
Energy: 1.9095673706820755
Energy: 2.1116650972510733
Energy: 1.9095673706813272
Energy: 2.111665097250325
Energy: 1.9095673706820755
Energy: 2.111665097249577
Energy: 1.9095673706820755
Energy: 1.9641068008439961
Energy: 2.005475012285736
Energy: 1.9641068008432483
Energy: 2.005475012287981
Energy: 1.9641068008439961
Energy: 2.005475012285736
Energy: 1.9641068008424998
Energy: 2.036716444883978
Energy: 1.939479864603204
Energy: 2.036716444881734
Energy: 1.9394798646017075
Energy: 2.03671644488323
Energy: 1.939479864603204
Energy: 2.036716444881734
Energy: 1.9633683187523476
Energy: 2.0685694708109468
Energy: 1.9633683187515991
Energy: 2.068569470807954
Energy: 1.9633683187523476
Energy: 2.0685694708109468
Energy: 1.9633683187515991

minimum gb energy = 1.9095673706813272 eV
minimum distance =  2.45830036452162 Angstroms
sigma value = 113


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

Energy: 1.8639956800460304
Energy: 1.9157997761212968
Energy: 1.8639956800376793
Energy: 1.9157997761266872
Energy: 1.8639956800464101
Energy: 1.9157997761217525
Energy: 1.8639956800380588
Energy: 1.8677065818571246
Energy: 1.78983626511255
Energy: 1.867706581863806
Energy: 1.7898362651104243
Energy: 1.867706581856745
Energy: 1.78983626511255
Energy: 1.867706581863806
Energy: 1.811996478114502
Energy: 1.8329873719446619
Energy: 1.811996478114502
Energy: 1.8329873719421568
Energy: 1.8119964781157167
Energy: 1.8329873719454974
Energy: 1.8119964781148816
Energy: 1.7962925041294864
Energy: 1.7828947667710981
Energy: 1.7962925041353321
Energy: 1.782894766773224
Energy: 1.7962925041294864
Energy: 1.7828947667677577
Energy: 1.7962925041353321
Energy: 1.8018074026972664
Energy: 1.858523805051025
Energy: 1.8018074027006066
Energy: 1.8585238050618815
Energy: 1.8018074026968864
Energy: 1.8585238050518602
Energy: 1.8018074027006066
Energy: 1.787081420123408
Energy: 1.8036933614117634
Energy: 1.787081420115892
Energy: 1.8036933614134336
Energy: 1.7870814201213583
Energy: 1.8036933614134336
Energy: 1.7870814201163472
Energy: 1.7634241911183897
Energy: 1.8092191985660133
Energy: 1.763424191115049
Energy: 1.8092191985593322
Energy: 1.763424191117934
Energy: 1.809219198566469
Energy: 1.7634241911142137
Energy: 1.7962464037233448
Energy: 1.8025242147507707
Energy: 1.79624640372418
Energy: 1.8025242147557816
Energy: 1.7962464037221302
Energy: 1.8025242147516058
Energy: 1.79624640372418
Energy: 1.782517276266862
Energy: 1.7931435949312764
Energy: 1.7825172762635213
Energy: 1.793143594934617
Energy: 1.7825172762685322
Energy: 1.7931435949321113
Energy: 1.7825172762643569
Energy: 1.7933330982765325
Energy: 1.75393507271374
Energy: 1.7933330982794176
Energy: 1.753935072708729
Energy: 1.7933330982765325
Energy: 1.7539350727129046
Energy: 1.7933330982807083
Energy: 1.7524470888573251
Energy: 1.7154731190045276
Energy: 1.7524470888627155
Energy: 1.7154731190120436
Energy: 1.7524470888573251
Energy: 1.7154731190036923
Energy: 1.7524470888635508
Energy: 1.7576017132980342
Energy: 1.821396327080443
Energy: 1.7576017133001602
Energy: 1.8213963270833278
Energy: 1.7576017132980342
Energy: 1.8213963270799873
Energy: 1.7576017133001602
Energy: 1.7447518708808705
Energy: 1.7939278692041691
Energy: 1.744751870882085
Energy: 1.7939278691995382
Energy: 1.7447518708804148
Energy: 1.7939278692037135
Energy: 1.7447518708817054
Energy: 1.8172616573490972
Energy: 1.7537241284509428
Energy: 1.8172616573478069
Energy: 1.753724128455954
Energy: 1.8172616573486418
Energy: 1.7537241284513985
Energy: 1.8172616573469715
Energy: 1.7820548658940665
Energy: 1.7670939274714894
Energy: 1.7820548658915611
Energy: 1.767093927477791
Energy: 1.7820548658949016
Energy: 1.7670939274714894
Energy: 1.7820548658911055
Energy: 1.735451965302602
Energy: 1.800283575161955
Energy: 1.735451965295086
Energy: 1.8002835751731912
Energy: 1.735451965301767
Energy: 1.8002835751673454
Energy: 1.735451965295086
Energy: 1.7010047931386816
Energy: 1.7561177983465197
Energy: 1.7010047931357966
Energy: 1.75611779834819
Energy: 1.701004793139517
Energy: 1.756117798347355
Energy: 1.7010047931361763
Energy: 1.7398489133388477
Energy: 1.7533820918277385
Energy: 1.7398489133451494
Energy: 1.7533820918306993
Energy: 1.7398489133380128
Energy: 1.7533820918277385
Energy: 1.7398489133459845
Energy: 1.776009997219971
Energy: 1.7411602983739327
Energy: 1.776009997215416
Energy: 1.7411602983718066
Energy: 1.7760099972195913
Energy: 1.741160298373477
Energy: 1.7760099972149603
Energy: 1.7678000294856497
Energy: 1.7449832187748133
Energy: 1.7678000294918756
Energy: 1.7449832187735983
Energy: 1.7678000294868648
Energy: 1.7449832187619068
Energy: 1.7678000294914957
Energy: 1.7290769050809067
Energy: 1.7599531652054385
Energy: 1.729076905088423
Energy: 1.7599531652050586
Energy: 1.729076905082577
Energy: 1.7599531652025533
Energy: 1.7290769050888786
Energy: 1.7530962940610848
Energy: 1.7624230920755966
Energy: 1.7530962940639696
Energy: 1.7624230920793924
Energy: 1.7530962940614643
Energy: 1.7624230920755966
Energy: 1.75309629406359
Energy: 1.773961353799952
Energy: 1.7646562791894214
Energy: 1.7739613537944854
Energy: 1.7646562791873712
Energy: 1.7739613537994963
Energy: 1.7646562791898768
Energy: 1.7739613537944854
Energy: 1.744428754061402
Energy: 1.791389145168838
Energy: 1.7444287540525953
Energy: 1.7913891451717232
Energy: 1.7444287540622374
Energy: 1.7913891451675472
Energy: 1.744428754053051
Energy: 1.7699760912190952
Energy: 1.7810824153150686
Energy: 1.7699760912170455
Energy: 1.781082415319624
Energy: 1.7699760912153752
Energy: 1.7810824153129428
Energy: 1.7699760912195508
Energy: 1.8009782115870985
Energy: 1.7787281311418788
Energy: 1.8009782115900594
Energy: 1.7787281311389178
Energy: 1.8009782115879338
Energy: 1.7787281311414231
Energy: 1.8009782115925645
Energy: 1.8536823682765977
Energy: 1.822035325192011
Energy: 1.853682368279482
Energy: 1.8220353251819894
Energy: 1.8536823682757622
Energy: 1.822035325183204
Energy: 1.8536823682791028
Energy: 1.8047969046931926
Energy: 1.8440612257977527
Energy: 1.8047969046969887
Energy: 1.8440612258374594
Energy: 1.8047969046944834
Energy: 1.8440612258048892
Energy: 1.8047969046973684
Energy: 1.837851288399535
Energy: 1.7898429968079834
Energy: 1.8378512884120621
Energy: 1.7898429968138294
Energy: 1.837851288407431
Energy: 1.7898429968088185
Energy: 1.8378512884095566
Energy: 1.8109666149841352
Energy: 1.7788137318322033
Energy: 1.8109666149941566
Energy: 1.7788137318368347
Energy: 1.8109666149836798
Energy: 1.7788137318322033
Energy: 1.810966614994992
Energy: 1.8464028792509881
Energy: 1.821086554707129
Energy: 1.8464028792531137
Energy: 1.8210865546778996
Energy: 1.8464028792509881
Energy: 1.8210865547125195
Energy: 1.8464028792531137
Energy: 1.7592452511617163
Energy: 1.7766856553166668
Energy: 1.759245251155035
Energy: 1.7766856553196282
Energy: 1.759245251160881
Energy: 1.7766856553162875
Energy: 1.7592452511554146
Energy: 1.7692778531595932
Energy: 1.8194446781699651
Energy: 1.7692778531646038
Energy: 1.8194446781682951
Energy: 1.7692778531620985
Energy: 1.8194446781708002
Energy: 1.769277853162554
Energy: 1.7380497082210524
Energy: 1.7609635271916222
Energy: 1.7380497082139161
Energy: 1.7609635271899517
Energy: 1.7380497082210524
Energy: 1.7609635271911666
Energy: 1.7380497082135364
Energy: 1.7903667575133284
Energy: 1.800294392936438
Energy: 1.7903667575183388
Energy: 1.8002943929377282
Energy: 1.7903667575137838
Energy: 1.8002943929305917
Energy: 1.7903667575179594
Energy: 1.7284692269141078
Energy: 1.7627185584245595
Energy: 1.728469226922459
Energy: 1.7627185583619251
Energy: 1.7284692269137283
Energy: 1.7627185584337461
Energy: 1.7284692269220798
Energy: 1.779489194885224
Energy: 1.7649987030037455
Energy: 1.7794891948789981
Energy: 1.7649987030020748
Energy: 1.7794891948873497
Energy: 1.7649987030033656
Energy: 1.779489194880213
Energy: 1.7428102036300384
Energy: 1.7176850785891853
Energy: 1.742810203637099
Energy: 1.7176850785891853
Energy: 1.7428102036308732
Energy: 1.7176850785887297
Energy: 1.742810203637099
Energy: 1.761203143740911
Energy: 1.7599152552613246
Energy: 1.7612031437368112
Energy: 1.7599152552617041
Energy: 1.761203143740911
Energy: 1.7599152552613246
Energy: 1.7612031437368112
Energy: 1.7011185948549323
Energy: 1.8012586227880611
Energy: 1.701118594849542
Energy: 1.801258622787226
Energy: 1.7011185948557677
Energy: 1.8012586227951979
Energy: 1.701118594849542
Energy: 1.741375079120486
Energy: 1.7651333574721022
Energy: 1.7413750791280025
Energy: 1.7651333574691412
Energy: 1.741375079121777
Energy: 1.7651333574716466
Energy: 1.741375079129293
Energy: 1.7620527696599895
Energy: 1.7453467422964617
Energy: 1.7620527696616597
Energy: 1.7453467422972968
Energy: 1.7620527696603692
Energy: 1.7453467422964617
Energy: 1.762052769661204
Energy: 1.7423322285413294
Energy: 1.7901447439994356
Energy: 1.7423322285500604
Energy: 1.7901447439977654
Energy: 1.7423322285413294
Energy: 1.790144743996095
Energy: 1.7423322285496048
Energy: 1.7010527916033502
Energy: 1.7685983076549494
Energy: 1.7010527916025153
Energy: 1.7685983076678558
Energy: 1.7010527916025153
Energy: 1.7685983076557845
Energy: 1.7010527916025153
Energy: 1.742775504431359
Energy: 1.7525450193951644
Energy: 1.7427755044363697
Energy: 1.75254501939562
Energy: 1.7427755044317383
Energy: 1.75254501939562
Energy: 1.7427755044363697

minimum gb energy = 1.7010047931357966 eV
minimum distance =  2.5014886704302 Angstroms
sigma value = 365


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

Energy: 0.8060998588940539
Energy: 0.8478286287202595
Energy: 0.8060998588931125
Energy: 0.8478286287212009
Energy: 0.8060998588940539
Energy: 0.8478286287202595
Energy: 0.8060998588940539
Energy: 3.2079903028191006
Energy: 1.7765325562261087
Energy: 3.2079903028191006
Energy: 1.7765325562223429
Energy: 2.9500612334160388
Energy: 1.7765325562261087
Energy: 2.950061233417879
Energy: 0.8060998588912295
Energy: 0.8478286287240253
Energy: 0.8060998588940539
Energy: 0.8478286287240253
Energy: 0.8060998588921712
Energy: 0.8478286287240253
Energy: 0.8060998588940539
Energy: 3.2091759096135206
Energy: 1.7765325562232845
Energy: 4.091835880639033
Energy: 1.7765325562242262
Energy: 3.7452977709285897
Energy: 1.7765325562232845
Energy: 2.9500612334150973
Energy: 0.8060998588921712
Energy: 0.8478286287221425
Energy: 0.8060998588940539
Energy: 0.847828628723084
Energy: 0.8060998588921712
Energy: 0.8478286287221425
Energy: 0.8060998588940539
Energy: 3.2079903028143937
Energy: 1.7765325562223429
Energy: 2.9500612334188205
Energy: 1.7765325562261087
Energy: 2.9500612334150973
Energy: 1.7765325562223429
Energy: 2.9500612334188205
Energy: 0.8060998588940539
Energy: 0.847828628723084
Energy: 0.8060998588931125
Energy: 0.8478286287221425
Energy: 0.8060998588940539
Energy: 0.847828628723084
Energy: 0.8060998588931125
Energy: 2.9500612334160388
Energy: 1.7765325562270502
Energy: 2.950061233419762
Energy: 1.7765325562223429
Energy: 2.9500612334160388
Energy: 1.7765325562270502
Energy: 2.9500612334188205
Energy: 0.8060998588931125
Energy: 0.847828628723084
Energy: 0.8060998588940539
Energy: 0.8478286287221425
Energy: 0.8060998588931125
Energy: 0.847828628723084
Energy: 0.8060998588940539
Energy: 3.2079903028191006
Energy: 1.7765325562242262
Energy: 3.2091759096125796
Energy: 1.7765325562223429
Energy: 3.2079903028181596
Energy: 1.7765325562232845
Energy: 3.2079903028191006
Energy: 0.8060998588921712
Energy: 0.8478286287240253
Energy: 0.8060998588940539
Energy: 0.8478286287240253
Energy: 0.8060998588921712
Energy: 0.8478286287240253
Energy: 0.8060998588940539
Energy: 2.9500612334150973
Energy: 1.7765325562223429
Energy: 2.9500612334160388
Energy: 1.7765325562261087
Energy: 2.9500612334150973
Energy: 1.7765325562223429
Energy: 2.950061233416937
Energy: 0.8060998588931125
Energy: 0.8478286287202595
Energy: 0.8060998588931125
Energy: 0.8478286287212009
Energy: 0.8060998588940539
Energy: 0.8478286287202595
Energy: 0.8060998588940539
Energy: 2.9500612334160388
Energy: 1.7765325562261087
Energy: 2.9500612334160388
Energy: 1.7765325562223429
Energy: 2.9500612334160388
Energy: 1.7765325562261087
Energy: 2.950061233416937
Energy: 0.8060998588921712
Energy: 0.8478286287240253
Energy: 0.8060998588940539
Energy: 0.8478286287240253
Energy: 0.8060998588921712
Energy: 0.8478286287240253
Energy: 0.8060998588940539
Energy: 2.950061233419762
Energy: 1.7765325562232845
Energy: 2.950061233413215
Energy: 1.7765325562242262
Energy: 2.9500612334188205
Energy: 1.7765325562232845
Energy: 2.950061233413215
Energy: 0.8060998588921712
Energy: 0.8478286287221425
Energy: 0.8060998588940539
Energy: 0.847828628723084
Energy: 0.8060998588921712
Energy: 0.8478286287221425
Energy: 0.8060998588940539
Energy: 2.9500612334150973
Energy: 1.7765325562214016
Energy: 2.950061233416937
Energy: 1.7765325562270502
Energy: 2.9500612334141563
Energy: 1.7765325562223429
Energy: 2.9500612334160388
Energy: 0.8060998588940539
Energy: 0.8478286287221425
Energy: 0.8060998588931125
Energy: 0.8478286287221425
Energy: 0.8060998588940539
Energy: 0.8478286287221425
Energy: 0.8060998588931125
Energy: 2.9500612334150973
Energy: 1.7765325562270502
Energy: 2.950061233416937
Energy: 1.7765325562223429
Energy: 2.9500612334150973
Energy: 1.7765325562270502
Energy: 2.950061233416937

minimum gb energy = 0.8060998588912295 eV
minimum distance =  2.4685835924349 Angstroms
sigma value = 23