Model name: model_name=SNAP_ZuoChenLi_2019quadratic_Mo__MO_692442138123_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.170121654868126
cohesive_energy=6.626793453681482
mass=95.95
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[-5.098782941807939e-19, -8.446611127382639e-19, -7.998786736413299e-19, -6.0519819084399e-19, -3.9460969624766393e-19, -1.9239577891725597e-19, 4.0301631704626195e-21, 1.94996111594238e-19, 3.7563031184129997e-19, 5.37381258280038e-19, 6.71094113623776e-19, 7.753525537280579e-19, 8.534698798719959e-19, 9.10683607472136e-19, 9.523113607767238e-19, 9.82816803888084e-19, 1.005530862028302e-18, 1.0227206151344879e-18, 1.0358344308837779e-18, 1.0457567107781399e-18, 1.053011366576892e-18, 1.057930048843272e-18, 1.06074507318921e-18, 1.061645496457518e-18, 1.06070501877336e-18, 1.0576480657556879e-18, 1.051559794546488e-18, 1.041549394937256e-18, 1.026445675808538e-18, 1.0047057410617919e-18, 9.74421398325924e-19, 9.33298330661046e-19, 8.79737565786426e-19, 8.13013317686862e-19, 7.3219792609126805e-19, 6.323342564940479e-19, 4.95173517033942e-19, 2.71663467884406e-19, -1.449888142761666e-19, -9.523610282523779e-19, -2.4715016538420598e-18, -5.1836021728118994e-18, -9.82143889701804e-18, -1.77691001770404e-17, -3.17330308483308e-17, -5.67582287830938e-17, -1.0569463123899958e-16, -2.1714139702938598e-16, -4.70290111731288e-16, -1.0475735790810959e-15, -2.6051872721830196e-15, -7.80359355709308e-15, -2.87417670726528e-14, -1.5947265126518998e-13]
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: -4.22544605584842 eV

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

Energy: 0.016616488346854547
Energy: 0.017645997157580893
Energy: 0.2161792803559037
Energy: 0.21636943777370338
Energy: -1176340.3882399953
Energy: 0.017220531654010152
Energy: 0.017645997157580893
Energy: -447055.1750426124
Energy: 0.2168359251270339
Energy: 0.21617623618767634
Energy: -5449458.919069323
Energy: -447073.5490173611
Energy: 0.21617928035631148
Energy: 0.21683592512780422
Energy: -447075.13484774606
Energy: 0.01788028212388197
Energy: -186350.19736525853
Energy: 0.2163166850474694
Energy: 0.21636943777329554
Energy: 0.21617623618767634
Energy: 0.01788028212388197
Energy: 0.01691083248419855
Energy: -210640.0846893326
Energy: 0.21643938119095676
Energy: -1179901.612433015
Energy: -5442701.503815772
Energy: -186345.49611470418
Energy: -210643.81515557173
Energy: -446827.14878662385
Energy: -447064.6718007568
Energy: 0.017220531654417958
Energy: -447053.42760834505
Energy: 0.2163166850482397
Energy: 0.21643938119095676
Energy: -447042.4586099542
Energy: 0.017538942280190976

minimum gb energy = -5449458.919069323 eV
minimum distance =  2.74130369962978 Angstroms
sigma value = 1


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

Energy: 2.5564329225981868
Energy: 2.0650517921965985
Energy: 2.0505985055216995
Energy: 2.037335952679829
Energy: -8311.026140136513
Energy: 2.0658416132254263
Energy: 2.1121498315692278
Energy: -2422.0036163585337
Energy: 2.0429038118882485
Energy: 2.0542667682312796
Energy: 2.0395716285468692
Energy: -4232.614811981211
Energy: 2.0348171178781667
Energy: 2.039605014572294
Energy: -1413.5641338850398
Energy: 2.1170405991381624
Energy: -1583.4172512718078
Energy: 2.0416942658501935
Energy: 2.02689487305381
Energy: 2.0366565621413204
Energy: 2.0776224534736163
Energy: 2.4995595242648236
Energy: -3964.9963777171083
Energy: 2.0392173522579005
Energy: 2.037425170589374
Energy: 2.038394087427649
Energy: 2.1732826769117626
Energy: -2262.1325489653113
Energy: 2.1652956801152103
Energy: 2.0370398272506396
Energy: 2.125029815090517
Energy: 2.0783369871502346
Energy: 2.0829687589935237
Energy: 2.035628352179439
Energy: 2.078286880021833
Energy: 2.0784178583858983
Energy: 2.1180704828009573
Energy: 2.0774306107087215
Energy: 2.0810392203542287
Energy: 2.1122933844495715
Energy: 2.078055203497712
Energy: 2.0779880659391377
Energy: 2.1207907472756777
Energy: 2.240582949686631
Energy: 2.0358504544475204
Energy: 2.0370540847000695
Energy: 2.198662144429897
Energy: 2.1135537715025383
Energy: 1.97998979387898
Energy: -9113.426612921005
Energy: 2.0838548253187663
Energy: 2.11237400313616
Energy: 2.0791963973685554
Energy: -3399.556046579679
Energy: 2.571491785120058
Energy: -4177.8409454202465
Energy: 2.083035201742855
Energy: 2.0399542260860857
Energy: 2.078469954996129
Energy: 2.0806799255592137
Energy: -3217.2117017917362
Energy: -1990.6084198961955
Energy: -2710.36627314498
Energy: -5706.683999970634
Energy: 2.165625539313914
Energy: -2018.1334357842215
Energy: 2.0277071106898377
Energy: 2.0373151469163293
Energy: 2.0643232098969455
Energy: 2.2342887889390504
Energy: -17986.094147871125
Energy: 2.029614505841853
Energy: 2.0385277782628703
Energy: 2.036641925610241
Energy: 2.064525903518284
Energy: 2.2342915590743435
Energy: -9191.466145897768
Energy: 2.0412404753650146
Energy: -2282.4023174145354
Energy: -3061.461123254004
Energy: 2.0434836706258923
Energy: -4951.921177521244
Energy: 2.0386112582381934
Energy: -2827.1291868672643
Energy: 2.7239579251648687
Energy: -4233.009562653963
Energy: 2.0437448969890424
Energy: 2.0383972447944423
Energy: 2.0363901648930827
Energy: 2.0778911889299874
Energy: 2.118850396736464
Energy: -8244.713236037394
Energy: 2.0450179092703453
Energy: 2.0349860086074427
Energy: 2.0382407893754175
Energy: -2908.565045203642
Energy: 2.0507054872161037
Energy: 2.1684870499629607
Energy: 2.1171580893709567
Energy: 1.9943271043224524
Energy: 2.0807479697850764
Energy: 2.045291397418532
Energy: 2.033283306828825
Energy: 2.0800526913863138
Energy: 2.0786574743673234
Energy: 2.521900784229185
Energy: 2.0803895696209342
Energy: 2.114321655969322
Energy: 2.037192588188182
Energy: 2.080347185033022
Energy: 2.2043683612749967
Energy: 2.118068350756622
Energy: 2.079212986072346
Energy: 2.116782060899194
Energy: 2.0382323295996128
Energy: 2.0800579006137796
Energy: 2.240359926320057
Energy: -1514.8059033653915
Energy: 2.19869121797982
Energy: 2.038610822016334
Energy: 2.3228530316587044
Energy: 2.0789392775309707
Energy: 2.0798854597205128
Energy: 2.0807062752050496
Energy: -9727.411899020322
Energy: 2.0841848932383407
Energy: 2.034312452641532
Energy: 2.0840418978465802
Energy: -2855.5406132727835
Energy: 1.9828969069294946
Energy: -14511.780101117665
Energy: 2.178426987615413
Energy: 2.1118026587405048
Energy: -2183.718796360723
Energy: 2.0346557166985924
Energy: 2.0329312806843363
Energy: 2.0383568783767068
Energy: -1647.4761489706668

minimum gb energy = -17986.094147871125 eV
minimum distance =  1.00203606095962e-10 Angstroms
sigma value = 33


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

Energy: 3.1124252091896465
Energy: -4439.422596901798
Energy: 2.138881049864304
Energy: 2.115148027169754
Energy: -61665.3551364031
Energy: 2.192967423361785
Energy: -564.0902467409617
Energy: -1074.8692494544234
Energy: 2.1322105807530907
Energy: 2.115029092692457
Energy: 2.132362418769074
Energy: -1815.4608346313914
Energy: 2.1655983019903475
Energy: 2.183323968558233
Energy: -1465.4494372757301
Energy: 2.175013219895602
Energy: -1533.3805016248864
Energy: 2.1809848673281547
Energy: 2.1643100203670214
Energy: 2.182958560900759
Energy: -4224.9196459270215
Energy: 2.331622260093776
Energy: -2087.869230475396
Energy: 2.184728316159535
Energy: 2.1654170715142094
Energy: 2.1798988274965234
Energy: 2.2173194205145323
Energy: -4498.727388829155
Energy: 2.191648331783663
Energy: 2.1825818605376686
Energy: 2.1154854834532584
Energy: 2.194968071962683
Energy: 2.192035266552736
Energy: -3419.7121354186675
Energy: 2.1927362066295175
Energy: 2.1926680484036716
Energy: 2.1133860526623147
Energy: 2.193283378427975
Energy: 2.1929775644133236
Energy: 2.491274678872549
Energy: 2.1930863790675836
Energy: 2.1928375953715493
Energy: 2.2380371637246927
Energy: 2.225478882845126
Energy: 2.117650163900065
Energy: 2.236097680108405
Energy: 2.1931369184751577
Energy: 2.2253649865852827
Energy: -5391.93262795864
Energy: -4209.528939061748
Energy: 2.199100121800367
Energy: 2.170687141850271
Energy: 2.180588167200652
Energy: -4887.907485949269
Energy: 2.741877934475643
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Energy: 2.1646749157328666
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Energy: -7907.096603723838
Energy: -1319.17856188679
Energy: 2.2176082042467278
Energy: 2.181254532658331
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Energy: 2.184764196550511
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Energy: 2.120048540582843
Energy: 2.1300508778038383
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Energy: -1919.301639350382
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Energy: 2.1000689344623895
Energy: 2.1291579343876124
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Energy: 2.117925796611676
Energy: 2.2698009762650817
Energy: 2.1811072731308703
Energy: -2119.5398473487803
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Energy: 2.116217015173894
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Energy: 2.1931832262513877
Energy: 2.1958099323449507
Energy: 2.1646687995086826
Energy: 2.1939340516222714
Energy: -1859.5447907839864
Energy: -1351.3086102947102
Energy: 2.193830126002883
Energy: 2.2213640280089995
Energy: 2.23506246498882
Energy: 2.194778444467827
Energy: 2.2780468276304595
Energy: 2.2678135769169665
Energy: 2.269104354485299
Energy: 2.167199376314266
Energy: 2.1657066516884464
Energy: 2.195076039317256
Energy: 2.2703132117691323
Energy: 2.0862403915195156
Energy: -2509.767032156521
Energy: 2.19531177764493
Energy: 2.3583913978252427
Energy: 2.1932023918900967
Energy: 2.1890368291057882
Energy: 2.086809829414869
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Energy: 2.196657669272372
Energy: 2.1651292161696336
Energy: 2.1933925564620322
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Energy: 2.1006258315089705
Energy: 2.1037789545946337
Energy: -1747.714648431181
Energy: -2256.5858692006223
Energy: -1630.0069810412908
Energy: 2.1026138988104006
Energy: 2.102444348372219
Energy: 2.127796206069226
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Energy: 2.115011562776644
Energy: 2.1287602547849054
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Energy: 2.132196008448947
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Energy: 2.1815733839885003
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Energy: 2.183625895796777
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Energy: 2.925851683788356
Energy: -1644.1640374511082
Energy: 2.1819507286312327
Energy: 2.172494230882872
Energy: 2.181823270066886
Energy: 2.1941844421121277
Energy: -4377.426769970184
Energy: 2.3036417019056343
Energy: 2.175064213995629
Energy: 2.1641773477056994
Energy: 2.182728853897474
Energy: -1184.7089786555844
Energy: 2.1169727397907203
Energy: 2.1956270899590247
Energy: 2.191831037441583
Energy: 2.1219147119276602
Energy: 2.1931457372244383
Energy: 2.1316912990187804
Energy: 2.4978165466381927
Energy: 2.193110070810739
Energy: 2.191639894007765
Energy: 2.1925857705750054
Energy: 2.193694650531463
Energy: 2.1936966310827946
Energy: -669.7288105721053
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Energy: 2.235858288800006
Energy: 2.194164273099982
Energy: -1146.6085218907797
Energy: 2.1644123822856036
Energy: 2.1845502365923446
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Energy: 2.1894823677750663
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Energy: 2.166471411791098
Energy: 2.1649636222375683
Energy: 2.1830315470419497
Energy: 2.192897820569705
Energy: 2.7329716860279873
Energy: -2502.069908853233
Energy: 2.1998617040097344
Energy: 2.1654365172419876
Energy: 2.1831507805625527
Energy: -3508.4942605762926
Energy: -3207.524891353736
Energy: -2114.1658430832435
Energy: 2.1881100768795436
Energy: -267.63589901081485
Energy: -2158.1207640043663
Energy: 2.1283852793642115
Energy: 2.116507494183658
Energy: 2.1289183953086503
Energy: -1827.1239367473688
Energy: 2.9285663874423777
Energy: -939.3349273545284
Energy: 2.131014645356689
Energy: 2.1006263571091477
Energy: 2.1282872373555515
Energy: -903.2498015503708
Energy: -882.7398659614765
Energy: 2.1831679994687883
Energy: 2.10596746685951
Energy: 2.1073736998108776
Energy: 2.2229298841830234
Energy: -1306.3821434657084
Energy: 2.1643544830831276
Energy: 2.1938669504792596
Energy: -1928.6759964764124
Energy: 2.10821680247986
Energy: 2.194087470966199
Energy: 2.226150031671493
Energy: 2.3569882351754776
Energy: 2.195345013292869
Energy: 2.193147922852425
Energy: -5507.3690507187675
Energy: 2.193188437237434
Energy: 2.231553158518681
Energy: 2.1656400558033653
Energy: 2.1812883553871254
Energy: 2.2692951997916078
Energy: 2.26639798288475
Energy: 2.268175072414128
Energy: 2.18222332234417
Energy: 2.36169825564503
Energy: 2.194813221124125
Energy: -2072.7615027186525
Energy: 2.0899780343633303
Energy: -2038.2022791821053
Energy: 2.2218388219287726
Energy: 2.1655117356110813
Energy: 2.1945247608896348
Energy: -5910.030157585711
Energy: 2.085166382923893
Energy: -2216.4854201660296
Energy: 2.195075038706641
Energy: -17920.593906155966
Energy: -2249.4847327785988
Energy: 2.107427767391098
Energy: -1067.4068599082718
Energy: 2.2063607108422993
Energy: -2269.1965197146355
Energy: 2.253653509823584
Energy: -4803.739058434491
Energy: 2.1285646184348166
Energy: 2.101550227865377
Energy: 2.1278942372423253
Energy: 2.193345061405992

minimum gb energy = -61665.3551364031 eV
minimum distance =  2.39979951402544 Angstroms
sigma value = 51


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

Energy: 2.974615867523647
Energy: 2.228615745379205
Energy: 2.2155107791294455
Energy: 2.2217051252975146
Energy: -5243.186888360532
Energy: 2.2279858527558716
Energy: 2.0988307873076586
Energy: -4719.074959003765
Energy: 2.1993702432603057
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Energy: 2.197989117710106
Energy: 2.197741366349689
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Energy: 2.206214126680679
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Energy: 2.2087445132220407
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Energy: 2.2418406241089355
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Energy: 2.245066025960443
Energy: 2.2423048972204933
Energy: 2.2110959677439226
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Energy: 2.2262591987886227
Energy: 2.372124303201922
Energy: -16467.857530469548
Energy: -3656.6689195375257
Energy: 2.2433313940510753
Energy: 2.3735290844280312
Energy: 2.0996166300930117
Energy: -4432.916782373897
Energy: 2.200020334177255
Energy: 2.2016904448554553
Energy: 2.197815216617291
Energy: 2.0933096778229565
Energy: 2.09643747328944
Energy: -5344.914962376062
Energy: 2.199684080218967
Energy: 2.2123626634142544
Energy: -4819.402158362197
Energy: 2.231612266879388
Energy: -114.88045070143542
Energy: -2646.76013339001
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Energy: 2.2231747875476575
Energy: 2.372994704097456
Energy: -5499.563072565399
Energy: 2.2085334594476524
Energy: 2.1985896714919733
Energy: -1909.9642436031506
Energy: 2.3110909771886776
Energy: -2071.2251282045036
Energy: 2.1993262670654548
Energy: 2.19660759316362
Energy: 2.1988256583706822
Energy: -1810.981875874013
Energy: 2.2010535776549136
Energy: -4051.184486083764
Energy: 2.19955825784303
Energy: 2.2067148084662804
Energy: 2.2052745607928537
Energy: 2.3725622349742235
Energy: 2.1979573680895523
Energy: 2.372360566190722
Energy: 2.1988690222684073
Energy: 2.650390934030993
Energy: 2.2417488976138946
Energy: -9140.51082668451
Energy: 2.289616957342471
Energy: 2.2455256130518473
Energy: 2.2419322039361558
Energy: 2.212745821674525
Energy: 2.2432366343146146
Energy: -7304.617535375544
Energy: 2.2970087796617746
Energy: -4049.200376942138
Energy: 2.1998193080454835
Energy: -114.43111776044002
Energy: 2.375586824956923
Energy: 2.199380849814386
Energy: -12771.4250003371
Energy: 2.375514241106864
Energy: -14017.493621681335
Energy: 2.0951620417352337
Energy: -12731.767736079695
Energy: 2.2009497163846445
Energy: 2.199614152990131
Energy: 2.19901581024351
Energy: 2.234195471952711

minimum gb energy = -16467.857530469548 eV
minimum distance =  2.41019521239485 Angstroms
sigma value = 19


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

Energy: 2.887483308478764
Energy: -7059.326643626718
Energy: 2.3457614033891376
Energy: 2.249732484385169
Energy: -301118.82762906473
Energy: -5078.662409134867
Energy: -3088.69128816421
Energy: -1591.0968612591666
Energy: 2.2867150015806805
Energy: 2.2445493696624492
Energy: 2.2870276476689106
Energy: -1642.4574073426122
Energy: 2.2597953203478327
Energy: 2.349117804080426
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Energy: 2.284814297208762
Energy: -2103.4121565627124

minimum gb energy = -301118.82762906473 eV
minimum distance =  1.00006846381256e-10 Angstroms
sigma value = 27


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

Energy: 2.5009391415316973
Energy: 2.228754258436431
Energy: 2.31225200526191
Energy: 2.109271915646363
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Energy: 2.1827006476902975
Energy: -9077.706123233636

minimum gb energy = -29874.11385568584 eV
minimum distance =  1.00000615230492e-10 Angstroms
sigma value = 9


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

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minimum gb energy = -26868.2905206122 eV
minimum distance =  1.00003831581656e-10 Angstroms
sigma value = 57


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

Energy: 3.208335664686876
Energy: 2.383113633212755
Energy: 1.9588302778796356
Energy: 1.9585057721831103
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Energy: -3129.798746396783
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Energy: 2.1794239753818787
Energy: 1.9586065745444394
Energy: 2.1773312471858604
Energy: -3932.406553525947
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Energy: 2.384780253546728
Energy: 1.9585431696487952
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Energy: -3687.4909203688085
Energy: 1.9588337157672302
Energy: 2.067416612542925
Energy: 2.1800347713071466
Energy: -3616.6151467485884

minimum gb energy = -40328.07735005021 eV
minimum distance =  1.00000050443139e-10 Angstroms
sigma value = 11


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

Energy: 2.8813151059301303
Energy: -1664.839784981119
Energy: 1.8965606742568604
Energy: 1.9851042989005074
Energy: -8352.376397152995
Energy: -1874.0294189722508
Energy: -169.53039077157422
Energy: -935.5236364118479
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minimum distance =  1.00000314722338e-10 Angstroms
sigma value = 41


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

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minimum distance =  1.0000010434245e-10 Angstroms
sigma value = 33


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

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Energy: 1.5726652147154598
Energy: -4953.214188794292
Energy: -2155.673843073636

minimum gb energy = -27429.249088492383 eV
minimum distance =  1.00005185296164e-10 Angstroms
sigma value = 67


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

Energy: 0.6831198383365821
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Energy: -12638.27351449207

minimum gb energy = -42516.215254249735 eV
minimum distance =  6.36179280657745e-07 Angstroms
sigma value = 3


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

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minimum gb energy = -15302.372298572021 eV
minimum distance =  1.00003115262718e-10 Angstroms
sigma value = 81


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

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minimum gb energy = -75439.26314953287 eV
minimum distance =  2.50578769242231 Angstroms
sigma value = 43


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

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minimum gb energy = -43085.56679749974 eV
minimum distance =  1.00006841740853e-10 Angstroms
sigma value = 57


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

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minimum gb energy = -90079.13617083823 eV
minimum distance =  1.0004611291326e-10 Angstroms
sigma value = 17


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

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minimum gb energy = -43167.878780607934 eV
minimum distance =  2.47877457050985 Angstroms
sigma value = 17


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

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Energy: -1029.8213048843802
Energy: 2.0524388629522607
Energy: 2.0564173085679722
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Energy: 2.0547009948066317
Energy: -859.171515174624
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Energy: -1168.6735196507016
Energy: 2.055434777457652
Energy: 2.2831485832076597
Energy: 2.445380232533533
Energy: -941.7652267140169
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Energy: -730.028958762167
Energy: 2.5736879793901757
Energy: 2.3779724507026847
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Energy: -2374.2747111303265
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Energy: 2.2436552192593515
Energy: 2.087409949418581
Energy: -4706.3853598497635
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Energy: 2.4450476052635657
Energy: 2.0856422901221756
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Energy: -1910.5071155184296
Energy: 2.086392342263039
Energy: 2.2450758526638523
Energy: 2.0876325869310066
Energy: -2081.335264322659

minimum gb energy = -13056.480723528786 eV
minimum distance =  1.00003762692063e-10 Angstroms
sigma value = 57


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

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Energy: 2.1678902078545237
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Energy: 2.3299929951105893
Energy: 2.765070664584913
Energy: -3084.348893931855
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Energy: -1829.345197752731
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Energy: 2.3905386411580887
Energy: 2.332614922155441
Energy: -1771.7675803836792
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Energy: 2.336272736861183
Energy: 2.3346083643846978
Energy: 2.389359217303899
Energy: 2.3355658645050315
Energy: -2094.5061529862105
Energy: -899.5471000160047
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Energy: 2.1081711250399375
Energy: -2205.9953116888055
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Energy: -3828.3482196405535
Energy: 2.642248081323335
Energy: -1578.009230042517
Energy: 2.329903977298107
Energy: 2.390486720680452
Energy: -7952.554304386322
Energy: -2699.2770793732793

minimum gb energy = -23749.288962368515 eV
minimum distance =  1.00000095636304e-10 Angstroms
sigma value = 43


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

Energy: 2.7696403650233403
Energy: -2768.9910628155058
Energy: 2.243977206226316
Energy: 2.1639409697287966
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Energy: -1822.603194537084

minimum gb energy = -20453.170288209338 eV
minimum distance =  1.0000049798187e-10 Angstroms
sigma value = 81


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

Energy: 2.0727741395161305
Energy: 2.0707873433962996
Energy: 2.083208040314724
Energy: 2.082784157040985
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Energy: 2.2005499680466802
Energy: -662.2014565556232
Energy: 2.203117571136918
Energy: -11067.44640016256

minimum gb energy = -70790.13723959283 eV
minimum distance =  1.00001361111241e-10 Angstroms
sigma value = 3


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

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Energy: 2.166869139864788
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Energy: 2.3295486257257223
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Energy: -1309.0032789953395
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Energy: -1319.003478191595
Energy: 2.329392819973603
Energy: -4766.9081225751315
Energy: 2.329964208952154
Energy: -2002.4025184470586

minimum gb energy = -35113.79272129914 eV
minimum distance =  1.00000053462194e-10 Angstroms
sigma value = 67


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

Energy: 2.5744114488173517
Energy: 2.7326518375597404
Energy: 2.386817692055668
Energy: 2.3878310422360522
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Energy: 2.56663116396729
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Energy: 2.1439778233936484
Energy: 2.145108586116832
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Energy: -8946.817233899032
Energy: -3603.0953888312315
Energy: -2705.637478451626
Energy: 2.32056017454085
Energy: -3233.6500473193555

minimum gb energy = -54174.840516900935 eV
minimum distance =  1.00002447881175e-10 Angstroms
sigma value = 33


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

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Energy: 2.590421603613329
Energy: -2699.7320059850645
Energy: 2.87571068558188

minimum gb energy = -30635.942818137617 eV
minimum distance =  2.30224275730507 Angstroms
sigma value = 41


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

Energy: 2.6478566834383064
Energy: 2.677229747889494
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Energy: 2.2992356028688627
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Energy: 2.264289118217074
Energy: 2.287150276705792
Energy: -14394.73893634956
Energy: 2.568778813850221

minimum gb energy = -17758.80682835172 eV
minimum distance =  2.42187444971391 Angstroms
sigma value = 11


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

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Energy: 2.294093127052585
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Energy: -5963.931303935316

minimum gb energy = -23987.972963029613 eV
minimum distance =  1.79987845453766e-11 Angstroms
sigma value = 57


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

Energy: 3.1355110035365206
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minimum gb energy = -43377.883377745726 eV
minimum distance =  1.5656904213699e-13 Angstroms
sigma value = 9


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

Energy: -975.966353176695
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minimum gb energy = -31183.52311656573 eV
minimum distance =  1.00000024961293e-10 Angstroms
sigma value = 27


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

Energy: 2.4131512114092337
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Energy: -2754.512252482104

minimum gb energy = -14198.559597525224 eV
minimum distance =  1.00000155105584e-10 Angstroms
sigma value = 19


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

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Energy: 2.0998693228543632
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Energy: -2434.080187572833
Energy: -1169.6604984608275
Energy: 2.1633207881060454
Energy: -1448.683864996002
Energy: -1063.2397913925392
Energy: -1616.8756524471114
Energy: 2.112791459534737
Energy: -1033.5456103628908

minimum gb energy = -20665.840865568163 eV
minimum distance =  1.00009471393933e-10 Angstroms
sigma value = 101


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

Energy: 2.2894303389443507
Energy: -2948.3184393517054
Energy: 2.1413062242742633
Energy: 2.1819312619650235
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Energy: 1.953648347374908
Energy: 2.1718990908656552
Energy: 2.1070758856023026
Energy: 1.9297072773439072
Energy: 2.10183288092243
Energy: 1.9433342679578096
Energy: 1.9423730336917888
Energy: 2.205114915263805
Energy: 1.9309089522194518
Energy: 1.9564652346988458
Energy: 2.102119097557172
Energy: 1.9426668337000723
Energy: 1.9433451494287948
Energy: 1.9434958873169161
Energy: 1.944410961549551
Energy: -2623.7846323374274
Energy: 1.9438316792653634
Energy: 1.9457692578343402
Energy: 1.9428381728331126
Energy: 1.9498060674109794
Energy: -2930.8507284099637
Energy: -1890.7312355408717
Energy: 1.9461717932897258
Energy: 1.9497444786091684
Energy: 1.9988214695456157
Energy: -1609.8376762923438
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Energy: 2.0182008555546114
Energy: 2.016621500536312
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Energy: 2.0124131332654223
Energy: -2045.093280840908
Energy: 2.017708953433129
Energy: -2543.2773993075643
Energy: 2.016656340674783
Energy: -1460.0657527033304
Energy: -1494.4573932630892
Energy: 2.027595961973703
Energy: -447.0532341815769
Energy: -6407.7725115672965
Energy: -2359.9579246893504
Energy: -3696.396477533711
Energy: -11819.988125746571
Energy: -1368.1767878150088
Energy: -9054.635260430945
Energy: -1416.3692151195764
Energy: -2985.395448478062
Energy: -2142.885887606881
Energy: 2.0737355246136464
Energy: -2795.0820938481315
Energy: -23487.241211575365
Energy: -1128.9290450041547
Energy: -5051.592040293003
Energy: -2297.852470193639

minimum gb energy = -210225.32295459328 eV
minimum distance =  1.00009321762497e-10 Angstroms
sigma value = 33


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

Energy: 0.01879941054305904
Energy: 0.01976137991151336
Energy: 0.24713412498885645
Energy: 0.24740991990384928
Energy: 0.24740991990384928
Energy: 0.01965891201232629
Energy: 0.0197553598755377
Energy: -12326.12337729587
Energy: -12326.128119763369
Energy: -12326.109550890274
Energy: -12326.05179273981
Energy: -12326.142146883069
Energy: 1.4410681973881496
Energy: 1.4410681973881496
Energy: 0.018931734525015537
Energy: 0.019070010883906745
Energy: 0.019070010883906745
Energy: 0.24674873753394858
Energy: -12326.13236903466
Energy: -12326.124367300477
Energy: -12326.128133170443
Energy: -12326.141142624208
Energy: -12326.051788089871
Energy: -12326.14207974274

minimum gb energy = -12326.142146883069 eV
minimum distance =  1.38697712987878e-05 Angstroms
sigma value = 1