Model name: model_name=MEAM_LAMMPS_LeeShimBaskes_2003_Pd__MO_307252285625_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.8890872895717616
cohesive_energy=3.9103075413017163
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.4797334890998178e-19, 2.1216824075744998e-19, 2.63700650013426e-19, 3.0766918338028797e-19, 3.4625920978681194e-19, 3.8065633994215797e-19, 4.1158796203816196e-19, 4.39537933418292e-19, 4.6485392641212595e-19, 4.87793891457738e-19, 5.08556498457744e-19, 5.272987607222759e-19, 5.4414725020542e-19, 5.59209312741654e-19, 5.72574670222482e-19, 5.843202271263359e-19, 5.94510070518576e-19, 6.032034809346599e-19, 6.10451728026876e-19, 6.162996727409759e-19, 6.2078736949281e-19, 6.23953270521594e-19, 6.258310215366419e-19, 6.264510638939999e-19, 6.257717410011839e-19, 6.235495220098259e-19, 6.19454358533322e-19, 6.13092115119708e-19, 6.03978934425516e-19, 5.91518806742898e-19, 5.749763329968479e-19, 5.5343987468262e-19, 5.25768682036806e-19, 4.905272047953419e-19, 4.45898574655272e-19, 3.8956123767392994e-19, 3.1852072572237e-19, 2.2887734087343597e-19, 1.155068415986058e-19, -2.84163649982874e-20, -2.12107358045358e-19, -4.48165654592382e-19, -7.54146143800434e-19, -1.154927424442266e-18, -1.6865312337801e-18, -2.40241579738398e-18, -3.3841174863347997e-18, -4.7601468884456995e-18, -6.741094100489639e-18, -9.688314040498979e-18, -1.425844278015228e-17, -2.17332056048832e-17, -3.4857755937620996e-17, -6.030048110320439e-17]
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: 0.013031028441671153
Energy: 0.0974707799538204
Energy: 0.914236775848197
Energy: 0.013647330911860697
Energy: 0.09747077995436233
Energy: 0.9014489703767872
Energy: 0.013647330911860697
Energy: 0.9014489703063369
Energy: 0.9142367758640634
Energy: 0.013647330911860697
Energy: 0.013031028441671153
Energy: 0.09747077995436233
Energy: 0.013647330911860697
Energy: 0.901448970364082
Energy: 0.09747077995490425
Energy: 0.9014489703518889

minimum gb energy = 0.013031028441671153 eV
minimum distance =  2.64486081583706 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.7104727369421953
Energy: 1.2561897052324258
Energy: 1.2069851394153126
Energy: 1.1227613694461986
Energy: 1.2559546954115437
Energy: 1.6934769575863657
Energy: 1.1806707900262268
Energy: 1.6934769575857085
Energy: 1.2045180739447698
Energy: 1.1752109164746265
Energy: 1.8009674405119656
Energy: 1.1752109164746265
Energy: 1.2641370461952788
Energy: 1.6750481190584487
Energy: 1.2299413194530866
Energy: 1.6750481190577915
Energy: 1.5464144035226153
Energy: 1.1896795489277
Energy: 1.1687456142545405
Energy: 1.1896795489277
Energy: 1.2665484826973692
Energy: 1.6341182568370374
Energy: 1.2140824188783215
Energy: 1.6341182568363801
Energy: 1.2316730183134856
Energy: 1.184876221782329
Energy: 1.4991958219866277
Energy: 1.1848762217816717
Energy: 1.213852294564966
Energy: 1.6102879859829171
Energy: 1.175977313593419
Energy: 1.6102879859829171
Energy: 1.317508449563001
Energy: 1.2287165681633079
Energy: 1.3949060638565256
Energy: 1.2287165681633079
Energy: 1.1719872137093281
Energy: 1.5782669933186761
Energy: 1.2958665817843513
Energy: 1.578266993318019
Energy: 1.477756785147948
Energy: 1.262691563349258
Energy: 1.2818719197287847
Energy: 1.2626915633499152
Energy: 1.2674854173411887
Energy: 1.5981475263737852
Energy: 1.2710062660755987
Energy: 1.5981475263737852
Energy: 1.1605669617184515
Energy: 1.2604462606821512
Energy: 1.6198722312391116
Energy: 1.2604462606821512
Energy: 1.2684886047374593
Energy: 1.5615450963032278
Energy: 1.2245840734989648
Energy: 1.5615450963025705
Energy: 1.6187433314139974
Energy: 1.1358745609503904
Energy: 1.207965932067135
Energy: 1.1358745609503904
Energy: 1.1469916560289573
Energy: 1.6543201276540753
Energy: 1.2294847235464266
Energy: 1.6543201276540753
Energy: 1.1864818034341564
Energy: 1.175376245012874
Energy: 1.894784761654329
Energy: 1.175376245012874
Energy: 1.1785602760887912
Energy: 1.6749938787372007
Energy: 1.2896944314439267
Energy: 1.6749938787372007
Energy: 1.8025134337272029
Energy: 1.1757383339844312
Energy: 1.196408094424061
Energy: 1.1757383339844312
Energy: 1.4099423147921146
Energy: 1.6631787805377627
Energy: 1.1724331944806619
Energy: 1.6631787805364482
Energy: 1.1747782601529255
Energy: 1.1370347404571903
Energy: 1.627451269866141
Energy: 1.1370347404506176
Energy: 1.058038398837113
Energy: 1.66227878052166
Energy: 1.1731905500610949
Energy: 1.66227878052166
Energy: 1.4996255446097906
Energy: 1.1848725418404702
Energy: 1.2210018597850365
Energy: 1.1848725418404702
Energy: 1.1724465221296057
Energy: 1.6132701569938661
Energy: 1.1348778354046687
Energy: 1.6132701569938661
Energy: 1.3810425060808118
Energy: 1.227505875711179
Energy: 1.4326291041782286
Energy: 1.2275058757105217
Energy: 1.2694018111166185
Energy: 1.5786816585826557
Energy: 1.1514536456341198
Energy: 1.5786816585839702
Energy: 1.2813867615071264
Energy: 1.245525259862417
Energy: 1.46308924893334
Energy: 1.245525259862417
Energy: 1.2698133093849757
Energy: 1.5786111546651889
Energy: 1.2565370660828543
Energy: 1.5786111546658461
Energy: 1.666225925328857
Energy: 1.2842330244467852
Energy: 1.108009576450275
Energy: 1.2842330244467852
Energy: 1.3615042758886626
Energy: 1.3741550320427591
Energy: 1.272873904352124
Energy: 1.3741550324441518
Energy: 1.2028007854476148
Energy: 1.249583909990614
Energy: 1.699110633333228
Energy: 1.2495839099899568
Energy: 1.2282843201265603
Energy: 1.3997052799508203
Energy: 1.0855362539094358
Energy: 1.399705279950163
Energy: 1.9515384724337863
Energy: 1.1749971191225306
Energy: 1.1869573809867109
Energy: 1.1749971191218733

minimum gb energy = 1.058038398837113 eV
minimum distance =  2.50627160554761 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.8245295828393282
Energy: 1.3466823431952304
Energy: 1.3107324579458042
Energy: 1.1926601054869992
Energy: 1.382668386890106
Energy: 1.7078132512658952
Energy: 1.2547301174474927
Energy: 1.7078132512658952
Energy: 1.2743439308527822
Energy: 1.2306181332487556
Energy: 1.7276545447341862
Energy: 1.2306181332480062
Energy: 1.2828669918111495
Energy: 1.6831608401882652
Energy: 1.3166073974851886
Energy: 1.6831608401890148
Energy: 1.6755413460957238
Energy: 1.264360517740528
Energy: 1.244841687299657
Energy: 1.2643605177397785
Energy: 1.248026064651726
Energy: 1.6602778132429563
Energy: 1.1096007295197698
Energy: 1.6602778132429563
Energy: 1.3274017536602898
Energy: 1.2629864591755604
Energy: 1.4006808774997896
Energy: 1.2629864591748114
Energy: 1.1967276279797077
Energy: 1.6478401547536363
Energy: 1.2493404424361472
Energy: 1.6478401547536363
Energy: 1.4024864287532723
Energy: 1.3367076826064972
Energy: 1.3763992972645636
Energy: 1.3367076826064972
Energy: 1.1383510473847747
Energy: 1.6330460139466823
Energy: 1.3585428632503187
Energy: 1.6330460139459333
Energy: 1.5271108021829947
Energy: 1.3402356699288613
Energy: 1.187405256870969
Energy: 1.3402356699288613
Energy: 1.3405222001338297
Energy: 1.635248541946475
Energy: 1.2936448681054544
Energy: 1.6352485419479739
Energy: 1.2476867523816206
Energy: 1.2061938364758285
Energy: 1.6269299838818776
Energy: 1.2061938364765776
Energy: 1.3161862025179674
Energy: 1.6789499106847785
Energy: 1.3036873470868506
Energy: 1.6789499106832795
Energy: 1.8263060234440271
Energy: 1.3287726854972621
Energy: 1.2647096359935854
Energy: 1.3287726854965127
Energy: 1.384783688640143
Energy: 1.6848064830327176
Energy: 1.2546685916579547
Energy: 1.6848064830342162
Energy: 1.2726902689004211
Energy: 1.2312679767751333
Energy: 1.8204039266756824
Energy: 1.2312679767736343
Energy: 1.2500363861583383
Energy: 1.6853867222948578
Energy: 1.3880723008646456
Energy: 1.685386722295607
Energy: 1.6761830262998965
Energy: 1.2069770283799703
Energy: 1.2559473681823785
Energy: 1.206977028381469
Energy: 1.2477826130815741
Energy: 1.6870810091776265
Energy: 1.1221220013505535
Energy: 1.6870810091783761
Energy: 1.313469931880698
Energy: 1.2616182139841963
Energy: 1.5247115604880743
Energy: 1.2616182139841963
Energy: 1.2751382114153422
Energy: 1.6148014370583992
Energy: 1.2482746709191126
Energy: 1.61480143705765
Energy: 1.402085504708416
Energy: 1.3108593766134382
Energy: 1.3751437500041193
Energy: 1.3108593766126886
Energy: 1.13967528494921
Energy: 1.6337823720559062
Energy: 1.3392954887863602
Energy: 1.633782372057371
Energy: 1.5817995599444163
Energy: 1.390248957951976
Energy: 1.1864517861865245
Energy: 1.3902489579527255
Energy: 1.3633428000292294
Energy: 1.4221831058694003
Energy: 1.2926369477877442
Energy: 1.4221831058694003
Energy: 1.2121774086836037
Energy: 1.3075774160440405
Energy: 1.6191120331529745
Energy: 1.3075774160425417
Energy: 1.316018464506883
Energy: 1.4473640451939374
Energy: 1.3039579956863736
Energy: 1.4473640451939374
Energy: 1.9332189369216026
Energy: 1.2058323939311326
Energy: 1.2654425988757032
Energy: 1.2058323939303832

minimum gb energy = 1.1096007295197698 eV
minimum distance =  2.45822955888275 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.7232108550444578
Energy: 1.4561326748449106
Energy: 1.4023119166520106
Energy: 1.27507031137097
Energy: 1.5016207687160372
Energy: 1.7156686139429334
Energy: 1.3428031253637005
Energy: 1.7156686139429334
Energy: 1.2426881550862041
Energy: 1.3151703015313339
Energy: 1.8878782799474447
Energy: 1.3151703015313339
Energy: 1.3838023084080928
Energy: 1.7014256759404398
Energy: 1.3380944210103947
Energy: 1.7014256759404398
Energy: 1.562936269731181
Energy: 1.3488794785047764
Energy: 1.2572145728850397
Energy: 1.3488794785047764
Energy: 1.3362875465507127
Energy: 1.689748533141153
Energy: 1.2268493347514486
Energy: 1.6897485331420243
Energy: 1.4446320592680924
Energy: 1.353113368740375
Energy: 1.3360648224022822
Energy: 1.353113368740375
Energy: 1.2409470717987026
Energy: 1.6575056203362466
Energy: 1.3384806017273894
Energy: 1.6575056203353757
Energy: 1.2836241187130952
Energy: 1.4412802860722567
Energy: 1.482324892017396
Energy: 1.4412802860722567
Energy: 1.3881245846212542
Energy: 1.5928172590921075
Energy: 1.515175116022966
Energy: 1.5928172590921075
Energy: 1.7286354197984348
Energy: 1.2614723431176107
Energy: 1.2382484029939764
Energy: 1.2614723431167394
Energy: 1.3824504419627135
Energy: 1.4868985989713115
Energy: 1.4187031705497188
Energy: 1.4868985989713115
Energy: 1.3528411186933564
Energy: 1.4340839826039415
Energy: 1.7263884530664881
Energy: 1.4340839826039415
Energy: 1.3754293744930888
Energy: 1.7305269085082569
Energy: 1.5418691138336615
Energy: 1.7305269085073856
Energy: 1.7270111203896703
Energy: 1.3145345010184915
Energy: 1.3340758336511414
Energy: 1.3145345010184915
Energy: 1.4155979779021528
Energy: 1.7705947361298304
Energy: 1.3450501964715682
Energy: 1.7705947361307017
Energy: 1.3394785150725645
Energy: 1.2885846940783101
Energy: 1.5642934913652382
Energy: 1.2885846940783101
Energy: 1.1984524251877873
Energy: 1.6818028723783947
Energy: 1.335968115732682
Energy: 1.6818028723783947
Energy: 1.4858663620981205
Energy: 1.3512690188308112
Energy: 1.4461086227545286
Energy: 1.3512690188308112
Energy: 1.209411072945342
Energy: 1.658671195130603
Energy: 1.393946995520991
Energy: 1.658671195130603
Energy: 1.532550287748205
Energy: 1.4410830220330333
Energy: 1.284640384475979
Energy: 1.4410830220330333
Energy: 1.5210936897370757
Energy: 1.479484406893191
Energy: 1.254925082894925
Energy: 1.479484406893191
Energy: 1.3047108087127364
Energy: 1.4229678679058022
Energy: 1.8754608668002613
Energy: 1.4229678679058022
Energy: 1.419271727699962
Energy: 1.5369704540765858
Energy: 1.205434651819575
Energy: 1.5369704540765858
Energy: 1.8520813527188618
Energy: 1.2855867452174992
Energy: 1.3534461950918364
Energy: 1.285586745215757

minimum gb energy = 1.1984524251877873 eV
minimum distance =  2.45563428796944 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.569567051783565
Energy: 1.4109745146752546
Energy: 1.5098948530233356
Energy: 1.2914112903546295
Energy: 1.485804180531562
Energy: 1.8288485002313741
Energy: 1.4429009526553116
Energy: 1.8288485002313741
Energy: 1.3203138292107148
Energy: 1.4106488315174004
Energy: 1.8516148867036921
Energy: 1.4106488315184393
Energy: 1.5431845321556767
Energy: 1.7815190395169194
Energy: 1.442960716773123
Energy: 1.7815190395179583
Energy: 1.4084662932055179
Energy: 1.3790382578302367
Energy: 1.3508769796138997
Energy: 1.3790382578302367
Energy: 1.439287995800599
Energy: 1.773874494922137
Energy: 1.587888039446931
Energy: 1.773874494922137
Energy: 1.3083059390865315
Energy: 1.4646696682190476
Energy: 1.4118698685571371
Energy: 1.4646696682190476
Energy: 1.411427043616682
Energy: 1.6525956058288693
Energy: 1.3338994719842516
Energy: 1.6525956058278302
Energy: 1.2046178454617469
Energy: 1.344999527725893
Energy: 1.5742274402618193
Energy: 1.3449995277248539
Energy: 1.5469638381804527
Energy: 1.8003530068720006
Energy: 1.668933939073349
Energy: 1.8003530068709612
Energy: 1.6394870230090386
Energy: 1.47180648325528
Energy: 1.509955313576073
Energy: 1.4718064832542408
Energy: 1.729425404999421
Energy: 1.8457839616897656
Energy: 1.4856084716960507
Energy: 1.8457839616897656
Energy: 1.4306358500193181
Energy: 1.4113104851137666
Energy: 1.8533714673981316
Energy: 1.4113104851148057
Energy: 1.3498451007136398
Energy: 1.870646859239922
Energy: 1.571583703227873
Energy: 1.870646859239922
Energy: 1.469988887254091
Energy: 1.3805337360782473
Energy: 1.351512973288106
Energy: 1.3805337360792866
Energy: 1.4387329084296736
Energy: 1.6527555784300634
Energy: 1.3302698493230178
Energy: 1.6527555784300634
Energy: 1.4078000105696111
Energy: 1.461825171940065
Energy: 1.4115037215015556
Energy: 1.461825171940065
Energy: 1.4058428042488536
Energy: 1.553356538323485
Energy: 1.3344369098749467
Energy: 1.5533565383245242
Energy: 1.2290036004163982
Energy: 1.47262669346728
Energy: 1.763442497647413
Energy: 1.4726266934683192
Energy: 1.4244036638821687
Energy: 1.8180390569991922
Energy: 1.7340993178833144
Energy: 1.8180390569763303
Energy: 1.7186598344148076
Energy: 1.338835182068881
Energy: 1.458850258203394
Energy: 1.3388351820699205

minimum gb energy = 1.2046178454617469 eV
minimum distance =  2.46173634861341 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.8815819010016523
Energy: 1.5321882205466923
Energy: 1.6312152822997523
Energy: 1.365945099957488
Energy: 2.0061225680214854
Energy: 1.805228853164363
Energy: 1.528562657175026
Energy: 1.805228853164363
Energy: 1.3914358579664026
Energy: 1.522249002099541
Energy: 1.665806191336864
Energy: 1.5222490021033965
Energy: 1.3911275870446733
Energy: 1.8896831468658337
Energy: 1.5306511822506992
Energy: 1.8896831468658337
Energy: 1.5512746921609812
Energy: 1.5311641632303747
Energy: 1.5897544409050264
Energy: 1.5311641632303747
Energy: 1.461237279624105
Energy: 1.885244861121433
Energy: 1.540476935097259
Energy: 1.885244861121433
Energy: 1.3506460886834952
Energy: 1.5373519905574364
Energy: 1.270152494325568
Energy: 1.5373519905561515
Energy: 1.590805113838453
Energy: 1.8150009946285708
Energy: 1.5276111513513695
Energy: 1.815000994629856
Energy: 1.6320850182904911
Energy: 1.6582580030400842
Energy: 2.0669830057698864
Energy: 1.6582580030400842
Energy: 1.5881353054250722
Energy: 1.840986018747381
Energy: 1.5292306848942656
Energy: 1.8409860187486662
Energy: 1.667226164118845
Energy: 1.5206765487373413
Energy: 1.5340254148971766
Energy: 1.5206765487373413
Energy: 1.769295696890515
Energy: 1.8897737409051827
Energy: 1.3918158399758616
Energy: 1.8897737409064677
Energy: 1.5928517290020894
Energy: 1.471395545333022
Energy: 1.5785517685036616
Energy: 1.471395545333022
Energy: 1.4454748554097312
Energy: 1.6551128481693453
Energy: 1.462204176302109
Energy: 1.6551128481693453
Energy: 1.2684041114914009
Energy: 1.514974428250003
Energy: 1.5898118851462788
Energy: 1.514974428250003
Energy: 1.47747889010177
Energy: 1.755918525049975
Energy: 1.5891213442338845
Energy: 1.755918525049975
Energy: 2.1440869571236174
Energy: 1.7728551929250804
Energy: 1.4428744938132188
Energy: 1.7728551929250804

minimum gb energy = 1.2684041114914009 eV
minimum distance =  2.44045369681925 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.8925674046486172
Energy: 1.7777043258850063
Energy: 1.7271842190596611
Energy: 1.7624938920217856
Energy: 1.9697321312772218
Energy: 1.8371327451942958
Energy: 1.6756942708144333
Energy: 1.8371327451942958
Energy: 1.5596352439772927
Energy: 1.6073621816645294
Energy: 1.7119643277966907
Energy: 1.6073621816638013
Energy: 1.66982537672528
Energy: 1.8482500526761865
Energy: 1.5839673805363677
Energy: 1.848250052677642
Energy: 1.4102952676168645
Energy: 1.5629946390005818
Energy: 1.3958835692409717
Energy: 1.5629946390005818
Energy: 1.5837856319057726
Energy: 1.8755380881368515
Energy: 1.6773614782991784
Energy: 1.8755380881368515
Energy: 1.6555354031224576
Energy: 1.7135750295690955
Energy: 1.4622171068244165
Energy: 1.7135750295676397
Energy: 1.8273530007759577
Energy: 1.8855317791426187
Energy: 1.6701652835464726
Energy: 1.8855317791418909
Energy: 1.6759280500366542
Energy: 1.7099347161307354
Energy: 1.7660906018611204
Energy: 1.709934716132191
Energy: 1.5511573827830805
Energy: 1.7095485775252601
Energy: 1.6755777573602204
Energy: 1.709548577524532
Energy: 1.4547180592822946
Energy: 1.5437941512432645
Energy: 1.5876431369055313
Energy: 1.5437941512432645
Energy: 1.5705792945170733
Energy: 1.628710853776387
Energy: 1.4463297533106156
Energy: 1.628710853776387
Energy: 1.7645977010463005
Energy: 1.5554764148148836
Energy: 1.315774561189369
Energy: 1.5554764148148836
Energy: 1.761686232370144
Energy: 1.811918765807143
Energy: 1.6065186804768739
Energy: 1.8119187658064153
Energy: 1.63684061763666
Energy: 1.773081523334232
Energy: 2.0403975728319743
Energy: 1.7730815233356878
Energy: 1.691807600550346
Energy: 2.0835182848349385
Energy: 2.038235574846649
Energy: 2.0835182848349385
Energy: 1.9145034820429432
Energy: 1.9979308223755743
Energy: 1.6303914942675362
Energy: 1.9979308223755743
Energy: 1.8896542056204306
Energy: 1.5197025246086915
Energy: 1.4021021031179624
Energy: 1.5197025246086915
Energy: 1.600213796329921
Energy: 1.8143156244625627
Energy: 1.6385223202984887
Energy: 1.8143156244618346
Energy: 1.3319397938330995
Energy: 1.6504772518316793
Energy: 1.6902576461125745
Energy: 1.650477251832407
Energy: 1.3948415536909091
Energy: 1.8078019326401962
Energy: 1.575101199626332
Energy: 1.8078019326401962
Energy: 1.6136761605760848
Energy: 1.5164905322003064
Energy: 1.5826716558409906
Energy: 1.5164905322010342
Energy: 1.6570674787753867
Energy: 1.8373674434618892
Energy: 1.6747494524551494
Energy: 1.8373674434618892
Energy: 1.7125772936789945
Energy: 1.699776056372346
Energy: 1.6057611848303577
Energy: 1.6997760565433246
Energy: 1.6416297196234897
Energy: 1.8775825033883897
Energy: 1.8130386183629108
Energy: 1.8775825033883897
Energy: 1.3585150098316678
Energy: 1.5935762552514594
Energy: 1.594799568799916
Energy: 1.5935762552514594
Energy: 1.550780965254087
Energy: 1.9614762798621765
Energy: 1.5716049977341102
Energy: 1.9614762798621765
Energy: 1.3598938627062895
Energy: 1.49161287654915
Energy: 1.5315663504377146
Energy: 1.4916128765484225
Energy: 1.568871441072462
Energy: 1.7727126683313603
Energy: 1.8270693408832677
Energy: 1.7727126683313603
Energy: 1.893726509457462
Energy: 1.7993283409264047
Energy: 1.702863401351702
Energy: 1.7993283409249488

minimum gb energy = 1.315774561189369 eV
minimum distance =  2.46291928861951 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.6825930237703397
Energy: 1.6287997514444303
Energy: 1.6512881417535776
Energy: 1.4030666077458145
Energy: 1.4233834702462136
Energy: 1.706301010713494
Energy: 1.7843982104300151
Energy: 1.706301010713494
Energy: 1.4528715655264808
Energy: 1.7874217012231801
Energy: 1.401992172940373
Energy: 1.7874217012231801
Energy: 1.629068809397681
Energy: 1.8026231485463364
Energy: 1.7827613874858934
Energy: 1.8026231485463364
Energy: 1.4082916777981727
Energy: 1.4203307554254991
Energy: 1.2337035055390146
Energy: 1.4203307554254991
Energy: 1.474185598365581
Energy: 1.7030804189116744
Energy: 1.258062025891428
Energy: 1.7030830546587448
Energy: 1.8005635535723152
Energy: 1.7277479447912207
Energy: 1.5198514923206063
Energy: 1.727747944807977
Energy: 1.9173351044270177
Energy: 1.8702122717541652
Energy: 1.8124516809867568
Energy: 1.8702122717524896
Energy: 1.4530367468648016
Energy: 2.005013905693576
Energy: 1.5094370469527958
Energy: 2.005013905693576
Energy: 1.421608833946807
Energy: 1.9159323956645467
Energy: 1.6666579423509444
Energy: 1.9159323956645467
Energy: 1.4063712583183083
Energy: 1.4244589120845372
Energy: 1.4306915877177722
Energy: 1.4244589120845372
Energy: 1.428153726120415
Energy: 1.7014611132808173
Energy: 1.2313041191587741
Energy: 1.7014611132808173
Energy: 1.916354874118864
Energy: 1.81097120817905
Energy: 1.5212301954261376
Energy: 1.8109712081773746

minimum gb energy = 1.2313041191587741 eV
minimum distance =  2.45234698752239 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.6166141956945326
Energy: 1.8318914426041926
Energy: 1.7807026236566605
Energy: 1.7402296167692592
Energy: 1.9064993933690255
Energy: 1.8169973881710115
Energy: 1.8687380904145159
Energy: 1.8169973881703911
Energy: 1.527502266563715
Energy: 1.691178925184845
Energy: 1.5067392960177632
Energy: 1.6911789251836047
Energy: 1.5064922030865706
Energy: 1.706804568829172
Energy: 1.8552678652541608
Energy: 1.706804568829172
Energy: 1.4198214421866853
Energy: 1.6648925640718768
Energy: 1.7989407711992553
Energy: 1.6648925640718768
Energy: 1.7539504434634605
Energy: 1.8449987590081163
Energy: 1.8576221186323176
Energy: 1.8449987590093002
Energy: 1.8186416172408273
Energy: 2.0976473725810165
Energy: 1.806448972843318
Energy: 2.0976473725797757
Energy: 1.9876222741876066
Energy: 1.927305383825469
Energy: 1.741504612248188
Energy: 1.9273053838248486
Energy: 1.5981534057012785
Energy: 1.8025815741952036
Energy: 1.5023180088978179
Energy: 1.8025815741964442
Energy: 1.4355113175056278
Energy: 1.695671974156657
Energy: 1.728287263281963
Energy: 1.6956719741560369
Energy: 1.480433860108774
Energy: 1.6569284087053833
Energy: 1.9254214745145257
Energy: 1.656928408704763
Energy: 1.7418506556914073
Energy: 1.9490824053484883
Energy: 1.621139831678124
Energy: 1.949082405347248
Energy: 1.965596109592836
Energy: 1.8847473950009574
Energy: 1.7608629344976914
Energy: 1.8847473950034384
Energy: 1.8216128282154673
Energy: 1.777554845527528
Energy: 1.4890071572913286
Energy: 1.7775548455269077
Energy: 1.8273073352052844
Energy: 1.8350671691480727
Energy: 1.5778010690588575
Energy: 1.8350671691455922
Energy: 1.3954826864396763
Energy: 1.6788851485800906
Energy: 1.58602511549376
Energy: 1.6788851485800906
Energy: 1.7196122505254567
Energy: 1.872240419319899
Energy: 1.8211194209249286
Energy: 1.872240419319899
Energy: 1.7339967771548628
Energy: 2.0097057665638234
Energy: 1.6178896191612029
Energy: 2.0097057664460456
Energy: 1.8768554025761006
Energy: 1.8179830941587494
Energy: 1.936004468765967
Energy: 1.8179830941593693
Energy: 1.5054936784669415
Energy: 1.7517399378024137
Energy: 1.5275174530986273
Energy: 1.751739937803034
Energy: 1.8739026815070512
Energy: 1.6771661764532966
Energy: 1.4398976676925375
Energy: 1.6771661764539165
Energy: 1.8006742568050904
Energy: 1.6023928130970337
Energy: 1.3855393008056154
Energy: 1.6023928130964138
Energy: 1.6999240048375934
Energy: 1.935929462920923
Energy: 1.7539767569847065
Energy: 1.935929462920923
Energy: 1.838073130195968
Energy: 2.1387408884480954
Energy: 1.9093007162021238
Energy: 2.138740888443754
Energy: 1.7399059480439214
Energy: 1.9063847522896917
Energy: 2.06315101120958
Energy: 1.9063847522896917
Energy: 1.5010343919214801
Energy: 1.8480758775844632
Energy: 1.5655696337525267
Energy: 1.848075877583843
Energy: 1.738730064761461
Energy: 1.667531443804426
Energy: 1.2758734857284635
Energy: 1.6675314438056663
Energy: 1.9247046342969685
Energy: 1.649921882462177
Energy: 1.530003242543112
Energy: 1.649921882461557
Energy: 1.6187383668342397
Energy: 1.680356529570785
Energy: 1.7265322632477536
Energy: 1.6803565295720255
Energy: 1.8255854134074165
Energy: 1.7798197311438118
Energy: 1.9628119861402675
Energy: 1.7798197311438118
Energy: 1.4900985065199897
Energy: 1.8840171157072627
Energy: 1.7199909383940735
Energy: 1.8840171157091234
Energy: 1.5762702040229153
Energy: 1.823292210380957
Energy: 1.7994365989202643
Energy: 1.823292210381577
Energy: 1.3092426445145653
Energy: 1.7004878923178657
Energy: 1.441145857434104
Energy: 1.7004878923184858
Energy: 1.8210601275820364
Energy: 1.7727083582785252
Energy: 1.816421355066232
Energy: 1.7727083582779048
Energy: 1.6192261220836326
Energy: 2.0334539527961595
Energy: 1.7344439478855
Energy: 2.033453952795539

minimum gb energy = 1.2758734857284635 eV
minimum distance =  2.40306640736766 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.6802070608069255
Energy: 1.977523457682267
Energy: 1.7562268832036347
Energy: 1.9702085120775552
Energy: 1.8957682133885565
Energy: 1.8738910277191871
Energy: 1.9688315813387154
Energy: 1.8738910277182033
Energy: 1.4612292069065764
Energy: 1.744447851751608
Energy: 1.4488060302136685
Energy: 1.7444478517525919
Energy: 1.4667311035767214
Energy: 1.7286432417689717
Energy: 1.8513486881016268
Energy: 1.7286432417689717
Energy: 1.352858068882918
Energy: 1.7461591042486178
Energy: 1.8365825963030111
Energy: 1.7461591042496016
Energy: 1.7758400798621437
Energy: 1.8593764012553724
Energy: 1.8502389067765066
Energy: 1.8593764012543883
Energy: 1.999037622181636
Energy: 2.002727595737339
Energy: 1.8127633860717554
Energy: 2.002727595736355
Energy: 1.8080225461065353
Energy: 1.924137938340593
Energy: 1.7885046212692741
Energy: 1.924137938340593
Energy: 1.8030697770268318
Energy: 1.6627544360605875
Energy: 1.5402511150101073
Energy: 1.6627544360615711
Energy: 1.3828893288257047
Energy: 1.7132389413502085
Energy: 1.7704111519845027
Energy: 1.7132389413492246
Energy: 1.5755304485742025
Energy: 1.715728069222612
Energy: 1.9914314118670375
Energy: 1.7157280692216281
Energy: 1.6497584324021575
Energy: 1.9930779193919366
Energy: 1.5290193467767361
Energy: 1.9930779193909525
Energy: 1.7945575101807796
Energy: 1.828090702923084
Energy: 1.6985025642252733
Energy: 1.8280907029220999
Energy: 1.4499404053413565
Energy: 1.6791226341510928
Energy: 1.5042594565820098
Energy: 1.6791226341510928
Energy: 1.7888468788311944
Energy: 1.7210432694171895
Energy: 1.4813205270521068
Energy: 1.7210432694171895
Energy: 1.6876866989396158
Energy: 1.7965848210741202
Energy: 1.6456151533314827
Energy: 1.7965848210751043
Energy: 1.8479353434092265
Energy: 1.9042332318860504
Energy: 1.8312959008109952
Energy: 1.9042332318860504
Energy: 1.7883738805090192
Energy: 2.0387498032585625
Energy: 1.995409509566598
Energy: 2.0387498032585625
Energy: 1.783796619712612
Energy: 1.7331985335295943
Energy: 1.9364599888933305
Energy: 1.7331985335295943
Energy: 1.4677791244810825
Energy: 1.659187790791346
Energy: 1.8108070541527246
Energy: 1.659187790791346
Energy: 1.7305268920907535
Energy: 1.7137814854652353
Energy: 1.3496703409308481
Energy: 1.7137814854603157
Energy: 2.0273312227694444
Energy: 1.8391501294029682
Energy: 1.656539746063955
Energy: 1.8391501294029682

minimum gb energy = 1.3496703409308481 eV
minimum distance =  2.44817716831394 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.8870060270874716
Energy: 1.9486949835582488
Energy: 1.7802367301403579
Energy: 1.9682894943942306
Energy: 1.758575139715638
Energy: 1.7609120618578802
Energy: 1.8789267456423588
Energy: 1.7609120618578802
Energy: 1.5238568409208086
Energy: 1.7635910157395778
Energy: 1.470890928267781
Energy: 1.7635910157395778
Energy: 1.4360534470101014
Energy: 1.5940474504424365
Energy: 1.728495668053608
Energy: 1.5940474504952835
Energy: 1.5526101919444002
Energy: 1.8075851795966484
Energy: 1.6985397003902785
Energy: 1.8075851795966484
Energy: 1.7123302262454525
Energy: 1.8886822698760741
Energy: 1.7652260323426925
Energy: 1.8886822698781613
Energy: 1.6740103694572097
Energy: 1.9622729045032252
Energy: 1.6593736353113682
Energy: 1.9622729045053127
Energy: 1.850168633825
Energy: 1.6293431482427179
Energy: 1.478519583565165
Energy: 1.629343148244805
Energy: 1.7662229640987945
Energy: 1.624753603004652
Energy: 1.3457768653373388
Energy: 1.624753603004652
Energy: 1.4491467852497568
Energy: 1.7995471029286054
Energy: 1.6246309323049777
Energy: 1.7995471029279098
Energy: 1.908990662784118
Energy: 1.9655326823420216
Energy: 2.1719296972153024
Energy: 1.965532682341326
Energy: 1.71374124111441
Energy: 2.055974372660406
Energy: 1.669242150655682
Energy: 2.055974372661102
Energy: 1.6372682633298128
Energy: 1.627343142097248
Energy: 1.7168432479388223
Energy: 1.6273431420979434
Energy: 1.3410051678409078
Energy: 1.6851632205292455
Energy: 1.2682773800969833
Energy: 1.6851632205292455
Energy: 1.804302679528013
Energy: 1.7105252917896656
Energy: 1.4872982121986633
Energy: 1.7105252906372834
Energy: 1.8905857731077893
Energy: 1.8984457138754829
Energy: 1.7153452938500386
Energy: 1.8984457138713395
Energy: 2.0339157092887787
Energy: 1.8686346758216126
Energy: 1.9070123714339968
Energy: 1.8686346758223085
Energy: 1.608571898493842
Energy: 1.7034898281452244
Energy: 1.379197409889977
Energy: 1.703489828143137
Energy: 1.383249359922486
Energy: 1.5384641304882136
Energy: 1.8026127947018888
Energy: 1.5384641304903006
Energy: 1.4771513224184167
Energy: 1.6789452736754966
Energy: 2.0392303894637682
Energy: 1.6789452736754966
Energy: 1.6554728390960827
Energy: 1.9292286564150987
Energy: 1.5304298766769526
Energy: 1.9292286564150987
Energy: 1.7286342902956884
Energy: 1.9168793384134737
Energy: 1.6571139618974364
Energy: 1.9168793384127776
Energy: 1.8102142874638307
Energy: 1.7817463651908378
Energy: 1.503900003505904
Energy: 1.7817463651908378
Energy: 1.658712299648938
Energy: 1.6684111616943929
Energy: 1.3899889155356826
Energy: 1.6684111616950885
Energy: 1.4514400187634142
Energy: 1.717277988893772
Energy: 1.6073084761611227
Energy: 1.7172779888923804
Energy: 1.8235455599225732
Energy: 1.8853434572350916
Energy: 1.623424852413235
Energy: 1.8853434572350916
Energy: 1.7105538766664004
Energy: 1.8213253013641089
Energy: 1.665397045032572
Energy: 1.8213253013648047
Energy: 1.713234858571026
Energy: 1.6707044431224358
Energy: 1.631707674815244
Energy: 1.6707044431203486
Energy: 1.3375894690244277
Energy: 1.6283821871009743
Energy: 1.6507159863984673
Energy: 1.6283821871030615
Energy: 1.6978222691653626
Energy: 1.7512925681835092
Energy: 1.3133418675423467
Energy: 1.751292568182813
Energy: 1.9461948773005247
Energy: 1.8661879164265145
Energy: 1.7307664710785537
Energy: 1.8661879164258188

minimum gb energy = 1.2682773800969833 eV
minimum distance =  2.45775416176094 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.087728097652259
Energy: 1.6586774855558477
Energy: 1.4303134436295935
Energy: 1.4990925050266928
Energy: 1.7426086499472466
Energy: 1.6251963851576257
Energy: 1.5055672689127055
Energy: 1.6251963851573834
Energy: 1.4913789070005294
Energy: 1.6610625619484
Energy: 1.415849071356096
Energy: 1.6610625619486425
Energy: 1.4782803835576714
Energy: 1.1092857949130148
Energy: 1.4313008547151564
Energy: 1.1092857949137152
Energy: 1.4272760971002518
Energy: 1.6529687159085724
Energy: 1.090634231238428
Energy: 1.6529687159088147
Energy: 1.4326456061608612
Energy: 1.5626894621006395
Energy: 1.0904553946547533
Energy: 1.5626894620999126
Energy: 1.095897112151146
Energy: 1.5632962384255211
Energy: 1.4924982453163147
Energy: 1.563296238426006
Energy: 1.184508866627004
Energy: 1.2643855100936396
Energy: 1.4277846794185975
Energy: 1.2643855100877153
Energy: 1.4304692895601425
Energy: 1.6353079849361885
Energy: 1.1094980166160402
Energy: 1.6353079849361885

minimum gb energy = 1.087728097652259 eV
minimum distance =  2.51539567645227 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.4743763764872224
Energy: 1.9098271576382655
Energy: 1.7816563449968512
Energy: 1.9001848057844624
Energy: 1.824939838206582
Energy: 1.4303494837935136
Energy: 1.3986110963781249
Energy: 1.430349483794828
Energy: 1.3995509888120183
Energy: 1.730078616932564
Energy: 1.3061877646694036
Energy: 1.730078616932564
Energy: 1.131872044181835
Energy: 1.648489394340808
Energy: 1.5708256001192948
Energy: 1.6484893943401508
Energy: 1.8777824597785977
Energy: 1.8487108890692614
Energy: 1.9216180628055761
Energy: 1.848710889067947
Energy: 1.4938294729561352
Energy: 1.624523482788256
Energy: 1.8624265936778321
Energy: 1.6245234825806585
Energy: 1.1382367319662512
Energy: 1.6115215614928704
Energy: 1.7010241687466159
Energy: 1.6115215614935277
Energy: 1.139359772394718
Energy: 1.787986812048442
Energy: 1.478867318211127
Energy: 1.7879868120490992
Energy: 1.7770117924748314
Energy: 1.6897768957321242
Energy: 1.6474041009841294
Energy: 1.6897768957327814
Energy: 1.3018175645468277
Energy: 1.9054608137221611
Energy: 1.6555536671259825
Energy: 1.9054608137228184
Energy: 1.7993946448479519
Energy: 1.711684405835019
Energy: 1.1434136770932402
Energy: 1.7116844058343617
Energy: 1.6983503176272885
Energy: 1.7893528773990959
Energy: 1.2763169597486117
Energy: 1.7893528773990959
Energy: 1.4806293201533456
Energy: 1.917826281155126
Energy: 1.756127842536013
Energy: 1.9178262811557834
Energy: 1.5869713188730958
Energy: 1.847157709811865
Energy: 1.3085783436629939
Energy: 1.847157709811865
Energy: 1.1433139279588045
Energy: 1.6908387047943398
Energy: 1.4175271155933575
Energy: 1.6908387047943398
Energy: 1.126548436998485
Energy: 1.5968447317757597
Energy: 1.7567495037685517
Energy: 1.5968447317751024
Energy: 1.7937431930504086
Energy: 1.9660277350254798
Energy: 1.8894596614828953
Energy: 1.9660277350254798
Energy: 1.7749484652048115
Energy: 1.6543017950925207
Energy: 1.7628124468003117
Energy: 1.6543017950918635
Energy: 1.305193991407871
Energy: 1.6560153618950342
Energy: 1.406259404085463
Energy: 1.6560153618950342
Energy: 1.6038586591452075
Energy: 1.6507127416219654
Energy: 1.1292733479731838
Energy: 1.6507127416219654
Energy: 1.8623831538102633
Energy: 1.7063598222138119
Energy: 1.8824100670710153
Energy: 1.7063598222144691
Energy: 1.6884438982442902
Energy: 1.7386902440074974
Energy: 1.5983983738077905
Energy: 1.7386902440074974
Energy: 1.698152700794125
Energy: 1.6086893913937135
Energy: 1.140235116971574
Energy: 1.6086893913930562
Energy: 1.482138805546883
Energy: 1.7011397940036714
Energy: 1.1388324374688832
Energy: 1.7011397940036714
Energy: 1.7141192597238444
Energy: 1.7845612638332478
Energy: 1.7951600779756676
Energy: 1.7845612638332478
Energy: 1.6599486010105482
Energy: 1.8924556385127045
Energy: 1.3012852824098313
Energy: 1.8924556385127045
Energy: 1.1462316440960905
Energy: 1.359291502135477
Energy: 1.803549932358793
Energy: 1.3592915021335052
Energy: 1.1498999787235418
Energy: 1.4438754382014278
Energy: 1.9238711995021036
Energy: 1.4438754381994563
Energy: 1.6376918333528523
Energy: 1.9511365285698423
Energy: 1.4785764147807998
Energy: 1.9511365285704996
Energy: 1.5326371201014313
Energy: 1.8021281538548068
Energy: 1.633908756058024
Energy: 1.8021281538548068
Energy: 1.4381373098366157
Energy: 1.6881512176881255
Energy: 1.1395666403462947
Energy: 1.6881512176887827
Energy: 1.7051085619377124
Energy: 1.4648778862456573
Energy: 1.122991134043411
Energy: 1.4648778862469718
Energy: 1.8919757743351286
Energy: 1.965479144793396
Energy: 1.820076753469074
Energy: 1.9654791447920814

minimum gb energy = 1.122991134043411 eV
minimum distance =  2.39522317878538 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.5650099305478122
Energy: 1.9064275237160597
Energy: 1.7536376462372434
Energy: 1.8879279797115933
Energy: 1.9707251945117097
Energy: 1.4913136146996637
Energy: 1.4689194907985965
Energy: 1.491313614697846
Energy: 1.4303432179146263
Energy: 1.6607465709642293
Energy: 1.331988488777093
Energy: 1.6607465709651381
Energy: 1.0864476862255699
Energy: 1.7340869663336316
Energy: 1.6239722232780178
Energy: 1.7340869663327227
Energy: 1.8384528716446566
Energy: 1.7445394891355905
Energy: 1.9365034730415611
Energy: 1.7445394891346822
Energy: 1.4564205135258073
Energy: 1.7392145253081417
Energy: 1.9187990490189872
Energy: 1.7392145253081417
Energy: 1.0995981986127878
Energy: 1.075849614120274
Energy: 1.6680616409258968
Energy: 1.075849614120274
Energy: 1.1033530762276513
Energy: 1.8178268244923204
Energy: 1.5709769382865357
Energy: 1.8178268244923204
Energy: 1.9236307666535384
Energy: 1.8544469847587366
Energy: 1.7582379147271232
Energy: 1.8544469847596456
Energy: 1.3251095074361918
Energy: 1.8562993464707507
Energy: 1.4073792250123636
Energy: 1.8562993464707507
Energy: 1.856936361668676
Energy: 1.6365416228079963
Energy: 1.0995390675546484
Energy: 1.6365416228079963
Energy: 1.7678442938961167
Energy: 1.6225854245285354
Energy: 1.4765873492469457
Energy: 1.6225854245267182
Energy: 1.5699056600528485
Energy: 1.730838265532247
Energy: 1.8291086873913698
Energy: 1.730838265532247
Energy: 1.8711873281942848
Energy: 1.443167572294467
Energy: 1.3325056873726961
Energy: 1.443167572295376
Energy: 1.0852880532248066
Energy: 1.59921483499057
Energy: 1.3892559848348025
Energy: 1.59921483499057
Energy: 1.251537091953344
Energy: 1.4564883671126654
Energy: 1.7432105917482121
Energy: 1.4564883671126654
Energy: 1.7563259623801823
Energy: 1.9719346499662778
Energy: 1.854028466815279
Energy: 1.9719346499662778
Energy: 1.288391276532373
Energy: 1.2398948763418476
Energy: 1.8991639168175325
Energy: 1.2398948762673725
Energy: 1.103325677030622
Energy: 1.3492045307148746
Energy: 1.8336775480426337
Energy: 1.3492045307130571
Energy: 1.5975491690921793
Energy: 1.8607095127687827
Energy: 1.5703260804276544
Energy: 1.8607095127687827
Energy: 1.603980944255342
Energy: 1.8083312451290816
Energy: 1.757058533215737
Energy: 1.8083312451290816
Energy: 1.326042373873635
Energy: 1.597812070526657
Energy: 1.387933200264499
Energy: 1.597812070526657
Energy: 1.8904504847677825
Energy: 1.3960136370900142
Energy: 1.0736079542627726
Energy: 1.3960136370900142
Energy: 1.5694775884921186
Energy: 1.5748688709351055
Energy: 1.7577348634259844
Energy: 1.5748688709351055

minimum gb energy = 1.0736079542627726 eV
minimum distance =  2.41376985532964 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.6614013306333197
Energy: 1.9301990180444528
Energy: 1.7927520828520884
Energy: 1.8130599643127334
Energy: 2.0644352067366016
Energy: 1.3385360145562468
Energy: 1.4498387353615854
Energy: 1.3385360145573704
Energy: 1.567195585986721
Energy: 1.611684084881855
Energy: 1.213937144054401
Energy: 1.611684084881855
Energy: 1.3597790528813092
Energy: 1.79452975605578
Energy: 1.6023173254434193
Energy: 1.7945297560563418
Energy: 1.8037742596879784
Energy: 1.8355580300546732
Energy: 1.633690798359363
Energy: 1.8355580300524266
Energy: 1.1800621436801968
Energy: 1.6093844364691774
Energy: 1.8575228404696935
Energy: 1.6093844364703007
Energy: 1.0853004756283091
Energy: 1.5401808076390857
Energy: 1.9376744190326562
Energy: 1.5401808076424557
Energy: 1.2326500281172144
Energy: 1.9058914303931667
Energy: 1.6657982414226145
Energy: 1.9058914303914818
Energy: 1.7334544368641684
Energy: 1.619138266971981
Energy: 1.9369844034522328
Energy: 1.6191382669714192
Energy: 1.2086174077989245
Energy: 1.7766351121803894
Energy: 1.5613060294029306
Energy: 1.7766351121798278
Energy: 1.7173194029527683
Energy: 1.4538659177236675
Energy: 1.061420157442603
Energy: 1.453865917722544
Energy: 1.940550773333801
Energy: 1.664813897377387
Energy: 1.5742758155396854
Energy: 1.664813897430133
Energy: 1.8794615908565533
Energy: 1.5041836671941065
Energy: 1.4426251481687473
Energy: 1.5041836671570359
Energy: 1.8558707053478114
Energy: 1.2637396299559616
Energy: 1.0578867625479926
Energy: 1.2637396299565231
Energy: 1.3618999395503255
Energy: 1.627015892016621
Energy: 1.0828718862421238
Energy: 1.627015892016621
Energy: 1.7654699361290107
Energy: 1.7534835603026913
Energy: 1.9452139561157173
Energy: 1.7534835603026913
Energy: 1.5373663647351616
Energy: 1.9055786198756846
Energy: 1.5099226241326063
Energy: 1.9055786198734375
Energy: 1.0745575450424754
Energy: 1.2836009315502668
Energy: 1.849956663613481
Energy: 1.283600931548582
Energy: 1.2730606144892116
Energy: 1.0565694303864188
Energy: 2.01471534436065
Energy: 1.0565694304172597
Energy: 1.8125350850538733
Energy: 2.002722294725575
Energy: 1.6624521883993133
Energy: 2.002722294725013
Energy: 1.4466005139928064
Energy: 1.3410930883929828
Energy: 1.9296875404603802
Energy: 1.3410930883817493
Energy: 1.2191695831051839
Energy: 1.6577355352098584
Energy: 1.4907155156632785
Energy: 1.6577355352109815
Energy: 1.913669915095032
Energy: 1.7258787859921
Energy: 1.3635137739114742
Energy: 1.7258787859926616
Energy: 1.5129265972503552
Energy: 2.0209233969805056
Energy: 1.7674875753314878
Energy: 2.0209233969805056
Energy: 1.8784298356100544
Energy: 1.4178812116292403
Energy: 1.1767041444777528
Energy: 1.4178812116253088
Energy: 1.9319505294990085
Energy: 1.5411936850976555
Energy: 1.087454066302597
Energy: 1.5411936850965322
Energy: 1.6625721977718717
Energy: 1.9076967505003892
Energy: 1.7412482930244069
Energy: 1.9076967505003892
Energy: 1.9888571570799631
Energy: 1.6485070906282733
Energy: 1.7343430024332414
Energy: 1.6485070906277117
Energy: 1.5582887469656213
Energy: 1.7027862916508325
Energy: 1.2110116546516114
Energy: 1.7027862916502707
Energy: 1.062953079295722
Energy: 1.3280666658868763
Energy: 1.7210277461821775
Energy: 1.328066665881821
Energy: 1.7087859471265392
Energy: 1.665020809367652
Energy: 1.9668989392558403
Energy: 1.6650208093665289
Energy: 1.440891276774468
Energy: 1.5038924841537868
Energy: 1.9170185728311588
Energy: 1.5038924841543486
Energy: 1.0723443848799676
Energy: 1.0635181430066378
Energy: 1.7450162142745682
Energy: 1.0635181430060763
Energy: 1.0861921289185121
Energy: 1.6477523563647083
Energy: 1.358725090231134
Energy: 1.6477523563669552
Energy: 1.9616810297085576
Energy: 1.7796575747909966
Energy: 1.8253764389961193
Energy: 1.779657574790435
Energy: 1.5090276340664444
Energy: 1.786602658063717
Energy: 1.5371439466204975
Energy: 1.786602658154708
Energy: 1.850853762556976
Energy: 1.5736449568926172
Energy: 1.0723681865207644
Energy: 1.5736449568937405
Energy: 1.9652994201911587
Energy: 1.2671645878474875
Energy: 1.2736688187989929
Energy: 1.2671645878469258

minimum gb energy = 1.0565694303864188 eV
minimum distance =  2.48033373396559 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.9849325191141802
Energy: 1.9141323648984843
Energy: 1.778430734450068
Energy: 1.747611265311668
Energy: 1.9894360996678289
Energy: 1.7035206705202905
Energy: 1.5453000923175615
Energy: 1.7035206705202905
Energy: 1.2670327608523666
Energy: 1.4851055282041934
Energy: 1.4699533917911587
Energy: 1.4851055282041934
Energy: 1.1497214560876807
Energy: 1.4207501856385358
Energy: 1.8205319860515405
Energy: 1.4207501856385358
Energy: 1.7900588429138538
Energy: 1.6438357823554517
Energy: 1.5439084537825478
Energy: 1.6438357823554517
Energy: 1.5958853194286755
Energy: 1.6030252883541918
Energy: 1.5931231487170288
Energy: 1.6030252883541918
Energy: 1.151514186779554
Energy: 1.249528070578554
Energy: 1.8071693651783407
Energy: 1.249528070578554
Energy: 1.2817460573894375
Energy: 1.833088471161146
Energy: 1.8398576406833371
Energy: 1.833088471161146
Energy: 1.6601818394656296
Energy: 1.6517234500937692
Energy: 1.7492226097370127
Energy: 1.6517234500937692
Energy: 1.5791916332554023
Energy: 1.7739410690880044
Energy: 1.4417060487075934
Energy: 1.7739410690894741
Energy: 1.8008791357770526
Energy: 1.6703697622460139
Energy: 1.1474183050623168
Energy: 1.6703697622460139
Energy: 1.8474009002929452
Energy: 1.6290584443173417
Energy: 1.690479111746944
Energy: 1.6290584443158722
Energy: 1.5929914672896452
Energy: 1.5799331362378988
Energy: 1.6317261638865994
Energy: 1.5799331362378988
Energy: 1.82611394402685
Energy: 1.0262822129494884
Energy: 1.0249044768705733
Energy: 1.0262822129494884
Energy: 2.050987031706025
Energy: 1.3438251421742402
Energy: 1.1428283244068
Energy: 1.3438251421757097

minimum gb energy = 1.0249044768705733 eV
minimum distance =  2.47332320066573 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.532611940463623
Energy: 1.831205701675398
Energy: 1.7692032589346318
Energy: 1.7183347783540959
Energy: 1.955222115536872
Energy: 1.1597282723817077
Energy: 1.2851882067065872
Energy: 1.159728273626649
Energy: 1.5961322605868653
Energy: 1.4479037525344183
Energy: 1.066418012961317
Energy: 1.447903752533802
Energy: 1.2001261806465138
Energy: 1.8773561461801629
Energy: 1.7970789548736783
Energy: 1.8773561461795467
Energy: 1.7772229168553069
Energy: 1.7086093296325158
Energy: 1.3736018845483942
Energy: 1.7086093296306677
Energy: 1.110861309610646
Energy: 1.5165073788461492
Energy: 1.5067536376069315
Energy: 1.5165073788455332
Energy: 1.107546916942785
Energy: 1.1588421296771845
Energy: 1.8936167340338272
Energy: 1.1588421296814961
Energy: 1.4297135823978226
Energy: 1.7890674042700272
Energy: 1.7354654415700126
Energy: 1.7890674042669472
Energy: 1.033208991688239
Energy: 1.025277893028249
Energy: 1.9126713311956318
Energy: 1.0252778930356405
Energy: 0.9273589491637534
Energy: 0.9279384397386942
Energy: 1.794191201209847
Energy: 0.92793843974239
Energy: 1.672179812330679
Energy: 1.2739381272570272
Energy: 1.5329454430846088
Energy: 1.2739381283086084
Energy: 1.444583075709992
Energy: 1.5426926031581125
Energy: 1.8649391629869732
Energy: 1.5426926031599606
Energy: 1.3725272259419703
Energy: 1.5598529197946955
Energy: 1.5072782427898335
Energy: 1.5598529197953117
Energy: 1.7609602233869028
Energy: 1.6159619677127472
Energy: 1.2006094432623038
Energy: 1.6159619677133634
Energy: 1.8183553169151727
Energy: 1.565406283945599
Energy: 1.6529530190238366
Energy: 1.5654062839443672
Energy: 1.7391434793655691
Energy: 1.2683171818882968
Energy: 1.0215504742668942
Energy: 1.2683171818901449
Energy: 1.911801898505901
Energy: 0.923773313958075
Energy: 0.9278526737134534
Energy: 0.9237733139562272
Energy: 1.5345001431142236
Energy: 1.3492489858963366
Energy: 1.2128085539112532
Energy: 1.3492489861062718
Energy: 1.8603806997911037
Energy: 1.3321048846911523
Energy: 1.28617724638781
Energy: 1.3321048846899204
Energy: 1.7926161565648426
Energy: 1.4938396829593117
Energy: 1.0615674654561442
Energy: 1.4938396829586957
Energy: 1.1974417141409475
Energy: 1.8554558684895615
Energy: 1.62239182691551
Energy: 1.8554558684883296
Energy: 1.7783678738337738
Energy: 1.6986577100408216
Energy: 1.556774210533306
Energy: 1.6986577100420532
Energy: 1.323618503341868
Energy: 1.5792137325425202
Energy: 1.4212028586656398
Energy: 1.5792137325382083
Energy: 0.922277897598446
Energy: 1.1523461894417673
Energy: 1.8379373121927678
Energy: 1.1523461894436156
Energy: 1.4250158253219045
Energy: 1.4291492223319182
Energy: 1.8072436089273003
Energy: 1.4291492223337658
Energy: 1.220861930860597
Energy: 1.4096795075106967
Energy: 1.8415651291594
Energy: 1.409679507603653
Energy: 0.9232940755847817
Energy: 0.9225515259136895
Energy: 1.7945361959880979
Energy: 0.9225515259124576
Energy: 1.2889587776020133
Energy: 1.4296013438944823
Energy: 1.5353292013369009
Energy: 1.4296013438950985
Energy: 1.6455595940514431
Energy: 1.5453845454823558
Energy: 1.8412287512488583
Energy: 1.5453845454829718
Energy: 1.0606363741195586
Energy: 1.512251997638898
Energy: 1.560230540106284
Energy: 1.512251997637666
Energy: 1.638108080900859
Energy: 1.557859767756581
Energy: 1.1980110007805485
Energy: 1.557859767759045
Energy: 1.7091722150515616
Energy: 1.6239962871966627
Energy: 1.6075131249222998
Energy: 1.6239962871985105
Energy: 1.7735458529840744
Energy: 1.2694995474023973
Energy: 1.0276394570884466
Energy: 1.2694995473993174
Energy: 1.9033205084192562
Energy: 0.9237604422009311
Energy: 0.9239927032857685
Energy: 0.9237604421990833
Energy: 2.0023752105543133
Energy: 1.1199697041464187
Energy: 1.11592403820495
Energy: 1.1199697041464187

minimum gb energy = 0.922277897598446 eV
minimum distance =  2.48702088539276 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.3253366371038668
Energy: 1.364936715124811
Energy: 1.4217368623498936
Energy: 0.899139424686544
Energy: 1.8138584960956088
Energy: 1.2309922390223795
Energy: 1.143662410477426
Energy: 1.2309922390223795
Energy: 1.4279606979320163
Energy: 1.4682984477998007
Energy: 1.1461226154191138
Energy: 1.4682984477998007
Energy: 1.330342538996377
Energy: 1.637615181534483
Energy: 1.7604700743421529
Energy: 1.6376151815334232
Energy: 1.7328407987287706
Energy: 1.7252744672798337
Energy: 1.084125505652593
Energy: 1.7252744672798337
Energy: 1.0121858466379345
Energy: 1.235539170588862
Energy: 1.6315736208771028
Energy: 1.2355391705867425
Energy: 0.8418542080030946
Energy: 1.229613504227598
Energy: 1.8179590351638275
Energy: 1.229613504227598
Energy: 1.481343894370381
Energy: 1.494942221924946
Energy: 1.6738788998614311
Energy: 1.494942221924946
Energy: 1.0122355481211156
Energy: 1.3420984591838672
Energy: 1.6868047271092268
Energy: 1.3420984591838672
Energy: 0.8470613966071153
Energy: 0.8463281519923149
Energy: 1.8973777022801845
Energy: 0.8463281519923149
Energy: 1.4217385184510667
Energy: 0.899139424686544
Energy: 1.3253366371028072
Energy: 1.364936715124811
Energy: 1.1436624104763664
Energy: 1.2309922390223795
Energy: 1.8138584960966684
Energy: 1.2309922390213197
Energy: 1.1461226154201736
Energy: 1.4682984477998007
Energy: 1.4279606979330763
Energy: 1.4682984477998007
Energy: 1.7604700743432125
Energy: 1.637615181534483
Energy: 1.3303425389974368
Energy: 1.637615181534483
Energy: 1.084125505652593
Energy: 1.7252744672798337
Energy: 1.7328407987287706
Energy: 1.7252744672798337
Energy: 1.6315736208771028
Energy: 1.235539170588862
Energy: 1.0121858466379345
Energy: 1.235539170588862
Energy: 1.8179590351638275
Energy: 1.229613504227598
Energy: 0.8418542080030946
Energy: 1.229613504227598
Energy: 1.6738788998614311
Energy: 1.494942221924946
Energy: 1.4813438944106276
Energy: 1.494942221924946
Energy: 1.6868047271092268
Energy: 1.3420984591828076
Energy: 1.0122355481211156
Energy: 1.3420984591838672
Energy: 1.8973777022801845
Energy: 0.8463281519912552
Energy: 0.8470613966071153
Energy: 0.8463281519912552

minimum gb energy = 0.8418542080030946 eV
minimum distance =  2.48974505795594 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.5933163187693997
Energy: 1.373657234630174
Energy: 1.6602907133171332
Energy: 0.8034533988476454
Energy: 1.7269450504954242
Energy: 1.07404270646514
Energy: 0.9944976819764529
Energy: 1.07404270646514
Energy: 1.5677891834551752
Energy: 1.0794888532598856
Energy: 0.9431673860166131
Energy: 1.0794888532598856
Energy: 1.1191096136836796
Energy: 1.6551614449028507
Energy: 1.682697097882471
Energy: 1.6551614449036784
Energy: 1.7691165861687717
Energy: 1.4826074818125408
Energy: 1.4376089535264684
Energy: 1.4826074818117132
Energy: 1.2197032893829607
Energy: 1.3896456503484482
Energy: 1.3965843274181224
Energy: 1.3896456503484482
Energy: 1.1233310531715188
Energy: 1.431228375155085
Energy: 1.7970648026748528
Energy: 1.4312283751559125
Energy: 1.5608274069602728
Energy: 1.5482260805363919
Energy: 1.3582964002520783
Energy: 1.5482260805355643
Energy: 0.9922405104801022
Energy: 1.0794146222937564
Energy: 1.7106740382646795
Energy: 1.0794146222937564
Energy: 1.1148113723441884
Energy: 1.070325726516208
Energy: 1.9019354437955276
Energy: 1.070325726516208
Energy: 0.881587154667507
Energy: 0.8811967180512777
Energy: 1.3551638810875763
Energy: 0.8811967180512777
Energy: 0.8831190608971616
Energy: 0.7579775856229639
Energy: 1.90244456798366
Energy: 0.7579775856221365
Energy: 0.8886456212944464
Energy: 0.7593892277628171
Energy: 1.8700398309120365
Energy: 0.7593892277628171
Energy: 1.200636191911787
Energy: 1.507940164441464
Energy: 1.6359145494006933
Energy: 1.5079401668303347
Energy: 0.9419920708566737
Energy: 1.103046856638483
Energy: 1.879809265604451
Energy: 1.1030468566393106
Energy: 0.9959470567262595
Energy: 1.08059342600141
Energy: 1.5703978970904353
Energy: 1.0805934260022374
Energy: 1.5645016576703341
Energy: 1.627786644857379
Energy: 1.6496924789534604
Energy: 1.6277866448582066
Energy: 0.9382634434396248
Energy: 1.5127907613621774
Energy: 1.7664217504176563
Energy: 1.5127907613630047
Energy: 1.3976371897317093
Energy: 1.3912700603876655
Energy: 1.1244031674793202
Energy: 1.3912700603876655
Energy: 1.7988118358686338
Energy: 1.403759452704959
Energy: 1.2193490827563906
Energy: 1.403759452704959
Energy: 1.3558444657956097
Energy: 1.1566038283805014
Energy: 1.0836788496777177
Energy: 1.1566038283805014
Energy: 1.709197792598783
Energy: 1.0789487683399783
Energy: 0.7590042653128626
Energy: 1.0789487683408057
Energy: 1.7995929814175882
Energy: 1.1938061075211515
Energy: 1.1185522225304891
Energy: 1.1938061075211515
Energy: 1.3572914078504943
Energy: 0.8853682125372496
Energy: 0.8817059352313903
Energy: 0.8853682125372496
Energy: 1.905033292732547
Energy: 0.7577663107975521
Energy: 0.7580398946744779
Energy: 0.7577663107975521
Energy: 1.6659703415112843
Energy: 0.8847583522316478
Energy: 0.9737596543954222
Energy: 0.8847583522324755

minimum gb energy = 0.7577663107975521 eV
minimum distance =  2.48846752873109 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.7604389932116047
Energy: 1.299725697367267
Energy: 1.0818198463853603
Energy: 0.7273098790024806
Energy: 1.7683116846030937
Energy: 0.9555029872486386
Energy: 0.8837763580429311
Energy: 0.9555029872486386
Energy: 1.6315268892340244
Energy: 0.9663891127674658
Energy: 0.8386304341604688
Energy: 0.9663891127667873
Energy: 1.35667376221036
Energy: 1.334452476539758
Energy: 1.4288781652275895
Energy: 1.334452476539758
Energy: 1.7875033798599689
Energy: 1.3235960560731268
Energy: 1.1988089330886476
Energy: 1.323596056075162
Energy: 1.3594436682528652
Energy: 1.2685229162828864
Energy: 1.217341042226329
Energy: 1.2685229162828864
Energy: 1.4154693460638832
Energy: 1.4513057974020869
Energy: 1.664545796143419
Energy: 1.4513057974014085
Energy: 1.6467466372199508
Energy: 1.4586358287590546
Energy: 1.1667254119647306
Energy: 1.458635828759733
Energy: 1.0286927211936163
Energy: 1.2677355416190073
Energy: 1.504444726573154
Energy: 1.2677355416176503
Energy: 1.0718343520308118
Energy: 1.2520684130022652
Energy: 1.8110320027698896
Energy: 1.2520684130015869
Energy: 1.053017805708646
Energy: 1.056514485596892
Energy: 1.5580987691561987
Energy: 1.0565144855982487
Energy: 0.8336009964047781
Energy: 0.9668648932710822
Energy: 1.7431190931328673
Energy: 0.9668648932704035
Energy: 0.9838879157738217
Energy: 1.054220396726995
Energy: 1.8358597456527557
Energy: 1.0542203967256383
Energy: 0.8574804464046396
Energy: 0.7917881201809908
Energy: 1.5913316398174011
Energy: 0.7917881201809908
Energy: 0.6895381756925754
Energy: 0.6880034850998188
Energy: 1.9183763904829578
Energy: 0.6880034851004974
Energy: 0.8698391441402807
Energy: 0.7899023914230519
Energy: 1.7173956266257877
Energy: 0.7899023914230519
Energy: 1.064315362417956
Energy: 1.057236680418988
Energy: 1.796224259251274
Energy: 1.0572366804196665
Energy: 0.8323350283310732
Energy: 1.0158876683828642
Energy: 1.8599102722321241
Energy: 1.015887668384221
Energy: 1.0248921909096183
Energy: 1.0765551969301825
Energy: 1.389402214895743
Energy: 1.0765551969301825
Energy: 1.2846218182888138
Energy: 1.319982718060742
Energy: 1.4837390433075248
Energy: 1.319982718060742
Energy: 1.1661156568013396
Energy: 1.309738453179911
Energy: 1.640097056984789
Energy: 1.3097384531792324
Energy: 1.222948882833149
Energy: 1.3945413744682131
Energy: 1.4255585770522896
Energy: 1.3945413744682131
Energy: 1.5543290555339109
Energy: 1.2933841552632719
Energy: 1.3590463945818911
Energy: 1.2933841552625938
Energy: 1.1681122066086915
Energy: 1.3388264688652938
Energy: 1.2864432920822375
Energy: 1.3388264688666511
Energy: 1.730770617157594
Energy: 1.2516007637109345
Energy: 0.9759583968223245
Energy: 1.2516007637109345
Energy: 1.5387902952780481
Energy: 1.2521654884663376
Energy: 1.4051263281857342
Energy: 1.252165488467016
Energy: 1.6055458177543835
Energy: 0.969075356844169
Energy: 1.0603651538390746
Energy: 0.9690753568448475
Energy: 1.756152016265117
Energy: 0.9767666633475729
Energy: 0.8309489605657108
Energy: 0.9767666684763613
Energy: 1.5983598139316213
Energy: 1.053124853613259
Energy: 1.0633275094993684
Energy: 1.0531248516703808
Energy: 1.582498631380173
Energy: 0.7904105251391544
Energy: 0.7994681978050017
Energy: 0.7904105251391544
Energy: 1.8796919811087143
Energy: 0.6876185679087647
Energy: 0.6888514544787724
Energy: 0.6876185679080863
Energy: 1.8273567316323678
Energy: 0.791468721177434
Energy: 0.958081989574999
Energy: 0.7914685826647776

minimum gb energy = 0.6876185679080863 eV
minimum distance =  2.48196386942648 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.5221254481220428
Energy: 1.6993198680929795
Energy: 0.8595067316628975
Energy: 1.5671527545296273
Energy: 1.7923625654724367
Energy: 0.8657855383434533
Energy: 0.8016593461561208
Energy: 0.8657855383423038
Energy: 1.676411654437556
Energy: 1.06871652998824
Energy: 0.8007522862987708
Energy: 1.068716529987665
Energy: 1.5520436791642587
Energy: 1.1888603159582085
Energy: 1.21278736320264
Energy: 1.1888603159559097
Energy: 1.8054409905896451
Energy: 1.1884328353595566
Energy: 1.0351312773412011
Energy: 1.1884328353601314
Energy: 1.4517578506028161
Energy: 1.1443617620759792
Energy: 1.0850881831493613
Energy: 1.1443617620754043
Energy: 1.1933143024191288
Energy: 1.31370733084837
Energy: 1.4904201942027464
Energy: 1.31370733084837
Energy: 1.6801155296434263
Energy: 1.3110547308975906
Energy: 1.0310506331061635
Energy: 1.311054730897016
Energy: 1.2463696972059515
Energy: 1.177597717450481
Energy: 1.3299817661092386
Energy: 1.177597717450481
Energy: 1.2067644819520504
Energy: 1.2239608178549262
Energy: 1.6802002343249645
Energy: 1.2239608178543515
Energy: 1.1449267135367676
Energy: 1.2994656591278635
Energy: 1.3551271796798026
Energy: 1.2994656591278635
Energy: 0.8755959511917417
Energy: 1.143354306025144
Energy: 1.572888805323287
Energy: 1.143354306025719
Energy: 1.1461871187963006
Energy: 1.1244806484090082
Energy: 1.570916676261239
Energy: 1.1244806484090082
Energy: 1.0008275277866392
Energy: 0.8539762731235397
Energy: 1.3567311975720118
Energy: 0.8539762728776568
Energy: 0.7535753192411859
Energy: 0.8775373038655044
Energy: 1.769076917707523
Energy: 0.877537303864355
Energy: 0.9474225325947762
Energy: 0.9468696915114938
Energy: 1.6044604386064367
Energy: 0.9468696915114938
Energy: 0.790621753094069
Energy: 0.7189352252690528
Energy: 1.7313144902661863
Energy: 0.7189352252707771
Energy: 0.6318663496571297
Energy: 0.6318514557290299
Energy: 1.8874084592572509
Energy: 0.6318514557296047
Energy: 0.8701372011402692
Energy: 0.7183408092619724
Energy: 1.5463921730845853
Energy: 0.7183408092631219
Energy: 0.949272589882792
Energy: 0.9502686134368861
Energy: 1.7596669508710483
Energy: 0.9502686134368861
Energy: 0.7513518239659301
Energy: 0.8060802191584358
Energy: 1.8623117317442124
Energy: 0.8060802191567116
Energy: 1.0588670965825993
Energy: 0.8522953890399118
Energy: 1.553240060214938
Energy: 0.8522953890542803
Energy: 1.0871406067023632
Energy: 1.1381137735242086
Energy: 1.4497950414056269
Energy: 1.1381137735242086
Energy: 1.0331855208284317
Energy: 1.1810010610337716
Energy: 1.6686935844610975
Energy: 1.181001061034346
Energy: 1.3598161621888232
Energy: 1.2969333987281366
Energy: 1.1877917757913359
Energy: 1.296933398727562
Energy: 1.3305533106581415
Energy: 1.212835481333945
Energy: 1.6025963267042183
Energy: 1.212835481333945
Energy: 1.0655771866223398
Energy: 1.24152718446767
Energy: 1.3936493171536548
Energy: 1.241527184468245
Energy: 1.6645300551001814
Energy: 1.3261812432962607
Energy: 1.1883022860305101
Energy: 1.3261812432962607
Energy: 1.4051457933719507
Energy: 1.3081277070760844
Energy: 1.4678554739772522
Energy: 1.308127707076659
Energy: 1.355656158764585
Energy: 1.1963034637769048
Energy: 1.1461044320088414
Energy: 1.1963034637769048
Energy: 1.8167208154616858
Energy: 1.2036574376326548
Energy: 0.8754842955176927
Energy: 1.2036574376320799
Energy: 1.3574723575598882
Energy: 1.191970964622494
Energy: 1.2110104892143772
Energy: 1.1919709646219194
Energy: 1.5718684805224419
Energy: 0.8772940001685066
Energy: 0.8592591329910051
Energy: 0.8772940001685066
Energy: 1.9177916453461448
Energy: 0.8640786007306676
Energy: 0.8004799979657636
Energy: 0.8640786007300929
Energy: 1.6967268484604394
Energy: 0.9504876797096113
Energy: 0.9420422283305906
Energy: 0.9504876797113355
Energy: 1.7932364842111166
Energy: 0.7172700134792562
Energy: 0.7195432348824293
Energy: 0.717270013483854
Energy: 1.722105118724188
Energy: 0.6330004042059871
Energy: 0.7770621636578496
Energy: 0.6330004042065619

minimum gb energy = 0.6318514557290299 eV
minimum distance =  2.4776019044656 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.7061994270899135
Energy: 1.110747938592674
Energy: 0.7668610395651173
Energy: 1.1100954630366398
Energy: 1.896175919259109
Energy: 0.8131865809434347
Energy: 0.7567610695460963
Energy: 0.8131865809424378
Energy: 1.721270737864821
Energy: 0.8763384545518886
Energy: 0.8304026494239476
Energy: 0.8763384545508918
Energy: 1.4098071234595213
Energy: 1.0096596758154033
Energy: 1.0731397858992955
Energy: 1.009659675818394
Energy: 1.7703009044964082
Energy: 1.0369491398013018
Energy: 0.9214374012503509
Energy: 1.036949139802797
Energy: 1.3987967884643577
Energy: 1.0495876431720315
Energy: 1.016843274786682
Energy: 1.049587643170536
Energy: 1.4630769980837106
Energy: 1.1406465428819836
Energy: 1.2862934956172172
Energy: 1.140646542882482
Energy: 1.6872390355159936
Energy: 1.1723641200410189
Energy: 0.9823972812499441
Energy: 1.1723641200415171
Energy: 1.4026661519979935
Energy: 1.154386427475102
Energy: 1.1861830083946843
Energy: 1.1543864274756004
Energy: 1.357462976699511
Energy: 1.186592877972489
Energy: 1.4986456150267686
Energy: 1.1865928779714918
Energy: 1.3672106777791024
Energy: 1.1946297467234706
Energy: 1.2640863971121794
Energy: 1.194629746722972
Energy: 1.1252802537171014
Energy: 1.1892910779292538
Energy: 1.4267113671927967
Energy: 1.1892910779292538
Energy: 1.2577432553980157
Energy: 1.0721069239978784
Energy: 1.4474929004554162
Energy: 1.0721069239978784
Energy: 1.0277957654546435
Energy: 0.9838281605526875
Energy: 1.265263408368495
Energy: 0.9838281605521889
Energy: 0.8467701498214042
Energy: 1.0842142222042594
Energy: 1.6788464021456786
Energy: 1.0842142222042594
Energy: 1.0537608108591183
Energy: 1.0085249155971356
Energy: 1.530198415104705
Energy: 1.0085249155981326
Energy: 0.8864160666240968
Energy: 0.7077092249065451
Energy: 1.5924339685916786
Energy: 0.7077092249060466
Energy: 0.6910478254503639
Energy: 0.7188270869772533
Energy: 1.8327217282668053
Energy: 0.7188270869767548
Energy: 0.8353684466038555
Energy: 0.8165187822137187
Energy: 1.8278565913328748
Energy: 0.8165187822122232
Energy: 0.7693687584759052
Energy: 0.7958474265549593
Energy: 1.763410081355355
Energy: 0.7958474265544608
Energy: 0.6231337317756088
Energy: 0.6830062993632678
Energy: 1.9346218389011791
Energy: 0.6830062993632678
Energy: 0.8537231071756642
Energy: 0.6775191249946685
Energy: 1.6585495318593242
Energy: 0.6775191249991547
Energy: 0.9327703063685336
Energy: 0.8745224241094136
Energy: 1.7309006102383164
Energy: 0.8745224241084166
Energy: 0.7305192978488498
Energy: 0.8983144729203724
Energy: 1.7546598414995247
Energy: 0.8983144729203724
Energy: 0.8790820107029711
Energy: 0.897764227315074
Energy: 1.4082525186025934
Energy: 0.8977642273858115
Energy: 1.0657531230311723
Energy: 1.0328688256555492
Energy: 1.7815610029593085
Energy: 1.0328688256560474
Energy: 1.003283436839686
Energy: 1.0228212167074548
Energy: 1.566421258849946
Energy: 1.02282121670895
Energy: 1.2812685786986868
Energy: 1.117556314364808
Energy: 1.4099915617546293
Energy: 1.117556314364808
Energy: 1.2022662616582913
Energy: 1.1732495824167393
Energy: 1.6971794706750414
Energy: 1.1732495824182347
Energy: 1.2109806016683045
Energy: 1.053393760494776
Energy: 1.3427769318700489
Energy: 1.0533937604962715
Energy: 1.5310430239303399
Energy: 1.1936684884064417
Energy: 1.1238167382548032
Energy: 1.1936684884059432
Energy: 1.2929788915105758
Energy: 1.1935349943205125
Energy: 1.5426850374643382
Energy: 1.1935349943195155
Energy: 1.4243758405668865
Energy: 1.0974545678087262
Energy: 1.139250922333429
Energy: 1.0974545678092247
Energy: 1.6971946900355763
Energy: 1.1854836551449688
Energy: 1.1749822616127734
Energy: 1.185483655145966
Energy: 1.2628745475762795
Energy: 1.1369628312676983
Energy: 1.3397153986797201
Energy: 1.1369628312766706
Energy: 1.6588679555638863
Energy: 1.0417607014620185
Energy: 0.9374571941763118
Energy: 1.0417607014625168
Energy: 1.6842709656361166
Energy: 1.033881493046529
Energy: 1.048101611948776
Energy: 1.033881493046529
Energy: 1.5579427590358632
Energy: 0.7908048218352244
Energy: 0.8091237632622081
Energy: 0.790804821828246
Energy: 1.8574638370063525
Energy: 0.7592751499252003
Energy: 0.6788371689589593
Energy: 0.7592751499252003
Energy: 1.7007588759513632
Energy: 0.8508634005417479
Energy: 0.8432648116559216
Energy: 0.8508634005417479
Energy: 1.5831420319074074
Energy: 0.6442019763425985
Energy: 0.7672846300948838
Energy: 0.6442019763445923
Energy: 1.8855196781015489
Energy: 0.5724342543072007
Energy: 0.5732185977196504
Energy: 0.5724342543072007
Energy: 1.6802131406820215
Energy: 0.6472996531424327
Energy: 0.7671687959908988
Energy: 0.6472996531424327

minimum gb energy = 0.5724342543072007 eV
minimum distance =  2.48335040316459 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.014742925725987212
Energy: 0.7054780509359763
Energy: 1.4529541328502544
Energy: 0.015477811809796621
Energy: 0.843920022001508
Energy: 0.10769508699842355
Energy: 0.8450882919928023
Energy: 0.10769508699842355
Energy: 0.015327176789539695
Energy: 0.10651053793570417
Energy: 0.8438411011874539
Energy: 0.10651053793570417
Energy: 0.01657017799139279
Energy: 0.10886881489026444
Energy: 0.8449943902263601
Energy: 0.10886881488988123
Energy: 0.8458062686587233
Energy: 0.734363118399588
Energy: 1.1254110869453555
Energy: 0.734363118399971
Energy: 0.015158695092838164
Energy: 0.10609910978447644
Energy: 0.8433613753779448
Energy: 0.10609910978411453

minimum gb energy = 0.014742925725987212 eV
minimum distance =  2.71787436515801 Angstroms
sigma value = 1