Model name: model_name=MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6133156493306164
cohesive_energy=3.54027843892012
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.91030724425088e-19, 2.5288755991056e-19, 2.99259358228422e-19, 3.36904100420886e-19, 3.6864161736379197e-19, 3.9597955726973396e-19, 4.19835967349994e-19, 4.4082287907876e-19, 4.593760845004799e-19, 4.758192232952219e-19, 4.90397428487988e-19, 5.033077678047599e-19, 5.1471045890893795e-19, 5.24735278107876e-19, 5.33491173412686e-19, 5.410710710681399e-19, 5.475550799059379e-19, 5.53012093521342e-19, 5.57504596803078e-19, 5.610854615800679e-19, 5.638011509746979e-19, 5.65694923756086e-19, 5.66806834340082e-19, 5.67170528436e-19, 5.6677799516067e-19, 5.655042647366399e-19, 5.63182710793974e-19, 5.59617867783324e-19, 5.54571011386224e-19, 5.47753749808554e-19, 5.388184107207359e-19, 5.273404173147599e-19, 5.12797460007942e-19, 4.945454637934139e-19, 4.717801360009079e-19, 4.4349851405754e-19, 4.0842846971591395e-19, 3.6495180457568995e-19, 3.1097928030613195e-19, 2.43793605335976e-19, 1.5981119118795419e-19, 5.42423308147236e-20, -7.94106031229028e-20, -2.50130213923446e-19, -4.70544857816094e-19, -7.588629518109299e-19, -1.1419770307096438e-18, -1.6608483423370797e-18, -2.38014554217138e-18, -3.40648387214544e-18, -4.925090972915999e-18, -7.279890080737499e-18, -1.1166866725419539e-17, -1.81677217235796e-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: 0.01673918868002292
Energy: 0.017194268991448942
Energy: 1.3912142602698372
Energy: 0.9166839687114849
Energy: 0.9184545973413119
Energy: 0.2827080427790641
Energy: 0.01721121368141711
Energy: 0.42112178699152475
Energy: 0.847939483983183
Energy: 0.2318103447003676
Energy: 0.6083993394015784
Energy: 0.6092652074352035
Energy: 0.01779953951891982
Energy: 0.08880001515507598
Energy: 0.017011370925458017
Energy: 0.8480122850525635
Energy: 0.8093396917387089
Energy: 0.8112119696362952
Energy: 0.6092239065577105
Energy: 0.08745079696789203
Energy: 0.08877046576016594
Energy: 0.01911634511608036
Energy: 0.6088044915913055
Energy: 1.2851189428587328
Energy: 0.9166732535306501
Energy: 0.9182576068008818
Energy: 0.28137278544956545
Energy: 0.01733738269993325
Energy: 0.28140340567855726
Energy: 0.8514345376680947
Energy: 0.2318046358381312
Energy: 0.6085362791427594
Energy: 0.6371985937644554
Energy: 0.017580377869624214
Energy: 0.2828163751419016
Energy: 0.01712739097329946
Energy: 0.7848179320040709
Energy: 0.8090688342282836
Energy: 0.8105847611396301
Energy: 0.7655130814016903
Energy: 0.08735583575746908
Energy: 0.0886083366857552

minimum gb energy = 0.01673918868002292 eV
minimum distance =  2.53110367845567 Angstroms
sigma value = 5


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

Energy: 1.143548197470302
Energy: 1.4231205493531467
Energy: 1.280384167908887
Energy: 1.366364069356868
Energy: 1.2764958306577623
Energy: 1.2646286322673332
Energy: 1.3648837666579945
Energy: 1.0947264671532435
Energy: 1.1328604813630558
Energy: 1.1952477236544177
Energy: 1.4335442307326054
Energy: 1.3091641141860524
Energy: 1.1149205747026947
Energy: 1.2990309770297952
Energy: 1.226470986110453
Energy: 1.2854534926500756
Energy: 1.2267991188420204
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Energy: 1.231720550522469
Energy: 1.29437054566728
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Energy: 1.3258051967316338
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Energy: 1.1548984191229716
Energy: 1.3293850417615694
Energy: 1.2512194261986327
Energy: 1.3179837926930622
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Energy: 1.225976341940105
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Energy: 1.2545809406071655
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Energy: 1.2866536905530641
Energy: 1.1631804916894821
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Energy: 1.3625524145796861
Energy: 1.1789149046157348
Energy: 1.2577028819468663
Energy: 1.311878638107271
Energy: 1.2480348990683805
Energy: 1.4447641140610898
Energy: 1.2004457352888136
Energy: 1.3334603146727162
Energy: 1.1603954106070662
Energy: 1.1941929166710827
Energy: 1.2195749516689618
Energy: 1.2044590275865994
Energy: 1.3372732023408183
Energy: 1.0965662192675856
Energy: 1.3217322896362629
Energy: 1.219159165954326
Energy: 1.2896349601745416
Energy: 1.3318980076294586
Energy: 1.3171755202724214
Energy: 1.3137855371401908
Energy: 1.181577195428448
Energy: 1.3170765776733477
Energy: 1.1863762227503778
Energy: 1.3004754652554744
Energy: 1.3949892858786856
Energy: 1.2343724000160163
Energy: 1.2842692423050097
Energy: 1.0884741837720895
Energy: 1.2937226895364549
Energy: 1.275534552650616
Energy: 1.350891496703736
Energy: 1.2024839648042962
Energy: 1.230340299303673
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Energy: 1.2502189099781083
Energy: 1.3027000093264232
Energy: 1.3422057338265903
Energy: 1.1648109150237742
Energy: 1.3047478758615187

minimum gb energy = 1.0802958297962626 eV
minimum distance =  2.26452736748255 Angstroms
sigma value = 401


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

Energy: 1.2195615028381728
Energy: 1.2875016540140458
Energy: 1.1756575439459755
Energy: 1.2949157684596078
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Energy: 1.351560002233212
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Energy: 1.344806979552303
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Energy: 1.281423308499588
Energy: 1.2940051537862716
Energy: 1.2154264434349282
Energy: 1.1593914732611135
Energy: 1.1628520215761893
Energy: 1.2046001809206
Energy: 1.2307883132647985
Energy: 1.402660001646908
Energy: 1.3237900078396714
Energy: 1.2134664582307122
Energy: 1.2318140946605918
Energy: 1.1962461424735524
Energy: 1.3615125692641983
Energy: 1.1473887511886105
Energy: 1.2153021671264412
Energy: 1.2845428533085745
Energy: 1.3823452469670139
Energy: 1.3631344483741106
Energy: 1.1753237884630594
Energy: 1.180620422953416
Energy: 1.1161311042309487
Energy: 1.1661535936238319
Energy: 1.2171787303190542
Energy: 1.3961130586259127
Energy: 1.3720165078557582
Energy: 1.2003991728546468
Energy: 1.1525076403345356
Energy: 1.1667947132448382
Energy: 1.1726613710905474
Energy: 1.206462380451413
Energy: 1.3637744883113792
Energy: 1.2566861134531833
Energy: 1.2145063661957247
Energy: 1.183376929644356
Energy: 1.1718971591349754
Energy: 1.1743845133007158
Energy: 1.1625770644895375
Energy: 1.3742871103422685
Energy: 1.279218353437123
Energy: 1.26537368065279
Energy: 1.1744502984604857
Energy: 1.1611809949775758
Energy: 1.2313589479135354
Energy: 1.1420830709180485
Energy: 1.2936868877260546
Energy: 1.476757602087345
Energy: 1.2007230867816294
Energy: 1.201648566694039
Energy: 1.2280684734025116
Energy: 1.206044131703146
Energy: 1.2298056563236415
Energy: 1.3098576256149033
Energy: 1.2803875038771786
Energy: 1.2177777902424913
Energy: 1.3508623890774616
Energy: 1.1573265431300737
Energy: 1.204764241039936
Energy: 1.2569427869946646
Energy: 1.1708778898720635
Energy: 1.1672185930728718
Energy: 1.2417554390233063
Energy: 1.3406033825026187
Energy: 1.2037839653656455
Energy: 1.5413337121168675
Energy: 1.2321699107794677
Energy: 1.1673206670369034
Energy: 1.304986146473036
Energy: 1.2839968782000815
Energy: 1.3502548536506895
Energy: 1.1522154385246164
Energy: 1.2437444367790296
Energy: 1.16882832744362
Energy: 1.185092475540563
Energy: 1.2049601750693921
Energy: 1.2185404683813106
Energy: 1.2530659239258701
Energy: 1.2374858537128042
Energy: 1.4034853936166725
Energy: 1.320820779028038
Energy: 1.1806889207457159
Energy: 1.1272552499774464
Energy: 1.1951865474426062
Energy: 1.3918723885072517
Energy: 1.152893219590683
Energy: 1.2979680174985384
Energy: 1.2588399071689333
Energy: 1.2996360992905829
Energy: 1.3160200065639127
Energy: 1.1755193542551017
Energy: 1.2167223391363196
Energy: 1.1448026423051807
Energy: 1.1624293715248841
Energy: 1.2339689867450034
Energy: 1.3359530538161397
Energy: 1.3019140259391568
Energy: 1.314042477681822
Energy: 1.1743102326343067
Energy: 1.2029460839667854
Energy: 1.2568746780013333
Energy: 1.2095771375448094
Energy: 1.4301759824122002
Energy: 1.393667595507274
Energy: 1.2062862244956358
Energy: 1.2652966757072406

minimum gb energy = 1.1139227073950242 eV
minimum distance =  2.26584384109741 Angstroms
sigma value = 311


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

Energy: 1.1731296902185666
Energy: 1.2571793128889637
Energy: 1.1707577775452818
Energy: 1.2149274431352117
Energy: 1.2237337943789284
Energy: 1.1562478663495737
Energy: 1.2511845927654912
Energy: 1.1122968677362537
Energy: 1.2523098661206729
Energy: 1.1194620529529389
Energy: 1.3024041798322994
Energy: 1.189058306328203
Energy: 1.1076503330446383
Energy: 1.287075305584552
Energy: 1.1470231380259999
Energy: 1.2219200574600002
Energy: 1.2753325367416826
Energy: 1.2765526009173505
Energy: 1.2231091569595782
Energy: 1.1840918201911923
Energy: 1.2290386550619208
Energy: 1.107456396325664
Energy: 1.2845110817419383
Energy: 1.1467895483025057
Energy: 1.337012947042762
Energy: 1.3012239743727787
Energy: 1.1543984539116496
Energy: 1.2747334632745981
Energy: 1.2430327525775098
Energy: 1.217250390050312
Energy: 1.1850938264731017
Energy: 1.2317276914693929
Energy: 1.1438206928057146
Energy: 1.1987812136997222
Energy: 1.1837793225577813
Energy: 1.2102003584322474
Energy: 1.253415000185131
Energy: 1.0954213439872427
Energy: 1.256287418170126
Energy: 1.2140412350806136
Energy: 1.2070662230072138
Energy: 1.281814435007618
Energy: 1.1743266934403969
Energy: 1.2523210045028617
Energy: 1.1814103725950142
Energy: 1.1516786645959654
Energy: 1.2675944448365375
Energy: 1.1612403661100241
Energy: 1.2911823475721491
Energy: 1.1323177807723155
Energy: 1.2740589596988943
Energy: 1.1396874612400778
Energy: 1.2944960466540039
Energy: 1.2196419416417406
Energy: 1.1212274145658288
Energy: 1.2426779765462102
Energy: 1.1355304500526027
Energy: 1.2779031659041697
Energy: 1.2093783497729687
Energy: 1.2688080164456657
Energy: 1.2391083836457422
Energy: 1.2320674991064957
Energy: 1.1548889111532343
Energy: 1.1173134952428085
Energy: 1.281727506673011
Energy: 1.1690492604586882
Energy: 1.2935461521184712
Energy: 1.283675336074254
Energy: 1.1191684780825992
Energy: 1.2763970080742864
Energy: 1.196651919172449
Energy: 1.2797894739982758
Energy: 1.2019874529105425
Energy: 1.218341992340571
Energy: 1.172750156143649
Energy: 1.2312202566162322
Energy: 1.2060740482303185
Energy: 1.237970770755315
Energy: 1.217350013284038
Energy: 1.1028234501169105
Energy: 1.2674773601407847
Energy: 1.1109278839664345
Energy: 1.2061037614827461
Energy: 1.2265006441053004
Energy: 1.1655864934680695
Energy: 1.1534063118643663
Energy: 1.1693516142309346
Energy: 1.2073302521732132
Energy: 1.3127770787092168
Energy: 1.1730553362115834
Energy: 1.2842571528651343
Energy: 1.1433278378594576
Energy: 1.2784361030508107
Energy: 1.1488798206686313
Energy: 1.2377165690659617
Energy: 1.2766453540161735
Energy: 1.1584195929317107
Energy: 1.2833992309704905
Energy: 1.1792461675680608
Energy: 1.2313714577674506
Energy: 1.155585403773123
Energy: 1.248240549469127
Energy: 1.2684837969860223
Energy: 1.2618912370247037
Energy: 1.1812396305140622
Energy: 1.119500978180257
Energy: 1.2768299724879095
Energy: 1.1408535455149929
Energy: 1.2750617529732127
Energy: 1.2354672689363186
Energy: 1.2823518972535481
Energy: 1.263225272601501
Energy: 1.2064345135354595
Energy: 1.340392585803819
Energy: 1.2549823196126746
Energy: 1.2732967263582553
Energy: 1.1192050615421612
Energy: 1.2036823345581844
Energy: 1.169929094086008
Energy: 1.2136628095525417
Energy: 1.1812014296537054
Energy: 1.227289330210653
Energy: 1.2070228258807492
Energy: 1.269704054781829
Energy: 1.221580740921748
Energy: 1.2233398250303913
Energy: 1.165787078298137
Energy: 1.2503647438755219
Energy: 1.1762806261334169
Energy: 1.2466928014740444
Energy: 1.2843907520693214
Energy: 1.1662504815281127
Energy: 1.255571284908058
Energy: 1.1462499680129525
Energy: 1.2419408306745663
Energy: 1.1633439083058028
Energy: 1.239546536235977
Energy: 1.242894532344952
Energy: 1.157513048424497
Energy: 1.279934846526143
Energy: 1.1497292983850036
Energy: 1.20282958925049
Energy: 1.1331994597401507
Energy: 1.266272826072568
Energy: 1.2861102229673749
Energy: 1.1856148900991907
Energy: 1.173700570419667
Energy: 1.076744151485244
Energy: 1.2680765112788939
Energy: 1.1444914083525768
Energy: 1.2715041529767657
Energy: 1.2749681392369165
Energy: 1.243159472829255
Energy: 1.231179477514825
Energy: 1.2564829851654251
Energy: 1.3239527334011523
Energy: 1.1706233493626377
Energy: 1.2502831379298776
Energy: 1.1349982037739719
Energy: 1.2097751156465222
Energy: 1.2039685355406051
Energy: 1.1783277663359184
Energy: 1.2651251169982505
Energy: 1.2014775330964487
Energy: 1.1714901705049785
Energy: 1.2539805038656315
Energy: 1.2104174878555183
Energy: 1.2699702491361458
Energy: 1.1750363851288463
Energy: 1.2201723527936161
Energy: 1.1713273098373456
Energy: 1.2044285556785277
Energy: 1.292028440297654
Energy: 1.1644943018165803
Energy: 1.2035573041301628
Energy: 1.1638021206645657
Energy: 1.295720555273387
Energy: 1.110422768542912
Energy: 1.2103048659713804
Energy: 1.2540183507062423
Energy: 1.1574721079920964
Energy: 1.2507560179656707
Energy: 1.132663156031574
Energy: 1.1747540124197327
Energy: 1.1757944590905418
Energy: 1.23062230477855
Energy: 1.288211351500343
Energy: 1.164879684008211
Energy: 1.2413628553634009
Energy: 1.1981448358106654
Energy: 1.218268482497999
Energy: 1.1155241329901862
Energy: 1.2359706517395073
Energy: 1.3980717818487653
Energy: 1.1234417381232569
Energy: 1.2291218128896737
Energy: 1.18870198439885
Energy: 1.2712698035711012
Energy: 1.2001996225440372
Energy: 1.2460853915743042
Energy: 1.1672647001358392
Energy: 1.2466759671403167
Energy: 1.2191431427138948
Energy: 1.1608823955512215
Energy: 1.230150812225527
Energy: 1.1966258518562691
Energy: 1.190498243355803
Energy: 1.2615770593386013
Energy: 1.1848361572937243
Energy: 1.2464360850875607
Energy: 1.168952661159052
Energy: 1.204909324144716
Energy: 1.2033936659146154
Energy: 1.2665206264551305
Energy: 1.216769619885843
Energy: 1.2531527847804136
Energy: 1.1708411560303185
Energy: 1.1417345049147054
Energy: 1.254832340427779
Energy: 1.0993058812087442
Energy: 1.2750427406983955
Energy: 1.2586085025543319
Energy: 1.1920942232867802
Energy: 1.307522870831267
Energy: 1.1421208931796663
Energy: 1.2298990600656339
Energy: 1.160887103498554
Energy: 1.266160583353256
Energy: 1.2762969418574075
Energy: 1.140407042685625
Energy: 1.2617858645534212
Energy: 1.1949650149924456
Energy: 1.1832208169853704
Energy: 1.1288585147273689
Energy: 1.2212400488017496
Energy: 1.1818185546427231
Energy: 1.192062044920972
Energy: 1.252585627060758
Energy: 1.200460076584203
Energy: 1.3465946862131186
Energy: 1.2302674069791553
Energy: 1.2460986755269763
Energy: 1.1148318453463197
Energy: 1.189285614092661
Energy: 1.1450344275058784
Energy: 1.1560393693435354
Energy: 1.2606360116542896
Energy: 1.190609296324684
Energy: 1.2716220843626262
Energy: 1.242558474101566
Energy: 1.1573283520102116
Energy: 1.2658309201661508

minimum gb energy = 1.076744151485244 eV
minimum distance =  2.24746918356154 Angstroms
sigma value = 39


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

Energy: 1.0050808043829915
Energy: 1.120163191733824
Energy: 1.3039113323667024
Energy: 1.072770199808282
Energy: 1.1832776752962646
Energy: 1.153446259122798
Energy: 1.0048071409680974
Energy: 0.9704754864638027
Energy: 1.1028323215593443
Energy: 1.1132180577429656
Energy: 1.1761434518082525
Energy: 1.0788168049398092
Energy: 1.0751282658109451
Energy: 1.3068226333050665
Energy: 1.4838027770469653
Energy: 1.059301877674488
Energy: 1.112364094724491
Energy: 1.0598276240573494
Energy: 1.0941332574449922
Energy: 1.0737708171486031
Energy: 1.1811708039554762
Energy: 1.0451754467549754
Energy: 1.3622494897202557
Energy: 1.0885359337916924
Energy: 1.150132103334422
Energy: 1.135148969268021
Energy: 1.1582980446915756
Energy: 1.135571978251472
Energy: 1.0547105476023908
Energy: 1.0821582801470515
Energy: 1.095390549195977
Energy: 1.109583606725553
Energy: 1.3878821626113393
Energy: 1.2830976953647764
Energy: 1.068577416896582
Energy: 0.9699530237130863
Energy: 1.0289207165722474
Energy: 1.073046531574076
Energy: 1.2892344674119147
Energy: 1.1251372152179704
Energy: 1.054683544269155
Energy: 1.2279727366900604
Energy: 1.2787238805652563
Energy: 1.1046438494874258
Energy: 1.0647617058821
Energy: 1.2761627733026233
Energy: 0.9855334938250516
Energy: 0.9843432086417568
Energy: 1.289289978722489
Energy: 0.99141641803764
Energy: 1.100306197429966
Energy: 1.293295178640173
Energy: 1.1320894116030995
Energy: 1.146045148188581
Energy: 1.1551074337518483
Energy: 1.1571385967979886
Energy: 0.9731537873600594
Energy: 1.1005999332679766
Energy: 1.2636920845501771
Energy: 1.0988554638602122
Energy: 1.1436290741186605
Energy: 1.2672198029291752
Energy: 1.1574926096164633
Energy: 1.2936549651065732
Energy: 1.1275744474617186
Energy: 1.115354911576243
Energy: 1.1186610825273078
Energy: 1.1020051085262972
Energy: 1.0738798382613186
Energy: 1.0665264687338807
Energy: 1.026155878900692
Energy: 1.0327857490445902
Energy: 1.0859781983240522
Energy: 1.120121185449943
Energy: 1.0734785542847927
Energy: 1.108766469132876
Energy: 1.2814092562651955
Energy: 1.055009045133336
Energy: 1.0898207523147734
Energy: 1.0861681451529792
Energy: 1.1439184655227057
Energy: 1.3153769615988917
Energy: 1.1144409050302202
Energy: 1.2874544619671087
Energy: 0.9881968936985696
Energy: 1.084959103087406
Energy: 1.1149155307749101
Energy: 1.2036435783354096
Energy: 1.1562804364576247
Energy: 1.1540929466697978
Energy: 1.0674615128582772
Energy: 1.2906517481243744
Energy: 1.0291095718871053
Energy: 1.2593904783269547
Energy: 1.2149409961812772
Energy: 0.9882925568081057
Energy: 0.9908651593539023
Energy: 1.281229121120446
Energy: 0.9707895098128384
Energy: 1.1005188047600791
Energy: 1.0686643507966618
Energy: 1.276375893966658
Energy: 0.9847266403244027
Energy: 0.9702991020377706
Energy: 1.0987422161879632
Energy: 1.0052414989429466
Energy: 1.3061482975418326
Energy: 1.3035140171848467
Energy: 1.0705044546840707
Energy: 1.1840573461666422
Energy: 1.2667685066190204
Energy: 1.0049439960435083
Energy: 1.0535883505252512
Energy: 1.102849001376038
Energy: 1.108599924967354
Energy: 1.176945967881999
Energy: 1.0786932772177575
Energy: 1.0741658820006725
Energy: 1.3070769602600827
Energy: 1.483557263893471
Energy: 1.058363487858013
Energy: 1.1106467948915584
Energy: 1.0601731550945317
Energy: 1.0937335185823518
Energy: 1.0738039945030677
Energy: 1.1813722173884211
Energy: 1.0447354994490488
Energy: 1.3623623342779012
Energy: 1.0886840557285302
Energy: 1.148847066363874
Energy: 1.1348547112655532
Energy: 1.1125652693733399
Energy: 1.2957496716047123
Energy: 1.0717634605608988
Energy: 1.077245797135483
Energy: 1.095848148956106
Energy: 1.1663785685000367
Energy: 1.3871627958823527
Energy: 1.282749720150665
Energy: 1.0692943157258878
Energy: 0.9699373749136955
Energy: 1.0277434792531848
Energy: 1.0734254824650042
Energy: 1.2197458181150658
Energy: 1.1244472175421274
Energy: 0.9839637109504842
Energy: 1.229899555036521
Energy: 1.2737497955992643
Energy: 1.1129813539287754
Energy: 1.0645372653602063
Energy: 1.2741513910572095
Energy: 0.9865803918193466
Energy: 0.9848877800195555
Energy: 1.2755700832843686
Energy: 0.972798202062265
Energy: 1.1048674579530886
Energy: 1.2884254277595915
Energy: 1.131907496066225
Energy: 1.1532956642348222
Energy: 1.1549771576225676
Energy: 1.1570397084389
Energy: 0.9728008428673338
Energy: 1.0566377353877892
Energy: 1.2662820425093781
Energy: 1.0998722398610548
Energy: 1.0845367144590459
Energy: 1.26725195267093
Energy: 1.1572065053069354
Energy: 1.2931479323361799
Energy: 1.1270192441975253
Energy: 1.1089525005569505
Energy: 1.121896443162812
Energy: 1.104275156436988
Energy: 1.0745033294585153
Energy: 1.0662959335712916
Energy: 1.0265613900043777
Energy: 1.0683803473910274
Energy: 1.085885672475504
Energy: 1.1199522319151372
Energy: 1.0870555412174656
Energy: 1.1442798729904116
Energy: 1.2814957985903896
Energy: 1.055288310206228
Energy: 1.0894685091302676
Energy: 1.0862189550236558
Energy: 1.1438827109548866
Energy: 1.3156602220053346
Energy: 1.1074240057577398
Energy: 1.0703697893831257
Energy: 0.9722990480131846
Energy: 1.0851822328448892
Energy: 1.1146312869140331
Energy: 1.2041031786786085
Energy: 1.1556480526705826
Energy: 1.1540431264340647
Energy: 1.06723268585203
Energy: 1.2905037065361853
Energy: 1.0290329357105572
Energy: 1.2727490647392665
Energy: 1.2149698673991327
Energy: 0.9838408965004538
Energy: 0.9875900536863237
Energy: 1.2801644968048442
Energy: 0.9704248004548839
Energy: 1.1003034906112577
Energy: 1.0715231999052723
Energy: 1.2188764471443654
Energy: 0.985100905165097
Energy: 0.9704157962687198
Energy: 1.1006418154747428

minimum gb energy = 0.9699373749136955 eV
minimum distance =  2.27364158543775 Angstroms
sigma value = 21


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

Energy: 1.2909397867458021
Energy: 1.27233481015767
Energy: 1.2645513185574293
Energy: 1.3589724896617952
Energy: 1.0986588949948934
Energy: 1.285890719091115
Energy: 1.270933682901248
Energy: 1.2486912593231292
Energy: 1.2492838903131507
Energy: 1.336039784700517
Energy: 1.3287724066303526
Energy: 1.2934194346920933
Energy: 1.2397745236219568
Energy: 1.400045098348511
Energy: 1.2198518872736854
Energy: 1.1663356858674105
Energy: 1.2167780603114902
Energy: 1.28453413621204
Energy: 1.2943865123293643
Energy: 1.231341841430184
Energy: 1.2605470064047906
Energy: 1.231157201807943
Energy: 1.3208471524754422
Energy: 1.1487501939980638
Energy: 1.310079125623844
Energy: 1.1254483269039004
Energy: 1.1276596464010782
Energy: 1.4242748279721325
Energy: 1.1053934986428793
Energy: 1.1108375768659795
Energy: 1.3006172750192766
Energy: 1.0856517784940745
Energy: 1.2811910362791687
Energy: 1.34406766756153
Energy: 1.1522443085298357
Energy: 0.9816318226353895
Energy: 1.0462646914626963
Energy: 1.2034163380123861
Energy: 1.1423942267605187
Energy: 1.295950108508624
Energy: 1.2731907102310174
Energy: 1.1370156000081661
Energy: 1.2794269598621697
Energy: 1.543298553655331
Energy: 1.123811051082091
Energy: 1.2059964187873424
Energy: 0.9937499016643578
Energy: 0.9963285006397916
Energy: 1.166315227617967
Energy: 1.15676447516827
Energy: 1.0899310196507697
Energy: 1.2504865296945882
Energy: 1.1528289929589128
Energy: 1.2608195857484583
Energy: 1.1722630367231683
Energy: 1.1542030459225654
Energy: 1.115784594675971
Energy: 1.1354891107202743
Energy: 1.2484078282542104
Energy: 1.3338608274626265
Energy: 1.3425116125947423
Energy: 1.2455936201641151
Energy: 1.2001530449941307
Energy: 1.2198631317116655
Energy: 1.2748925983777248
Energy: 1.1067902928691602
Energy: 1.2857024167614803
Energy: 1.0957070562211266
Energy: 1.2617610358795468
Energy: 1.3260518430664907
Energy: 1.2510744249735624
Energy: 1.2564680482051769
Energy: 1.221186339270928
Energy: 1.3299446552100782
Energy: 1.1890561916351567
Energy: 1.0736695461548615
Energy: 1.4406890802840702
Energy: 1.2564211257311058
Energy: 1.4044376399448144
Energy: 1.3048090658487346
Energy: 1.3509921471274835
Energy: 1.245074849829062
Energy: 1.2328074755593263
Energy: 1.3344082351600373
Energy: 1.250193185656283
Energy: 1.2292489224680092
Energy: 1.3241934130351025
Energy: 1.243421893556328
Energy: 1.30059841587282
Energy: 1.244655815969802
Energy: 1.2729871729250777
Energy: 1.1300234597203171
Energy: 1.3044912814278309
Energy: 1.3282837414175248
Energy: 1.2064436680905959
Energy: 1.3332803672427753
Energy: 1.348227550574157
Energy: 1.4269086779224225
Energy: 1.245506296720734
Energy: 1.1724832416402093
Energy: 1.1400659650882359
Energy: 1.2818286405143646
Energy: 1.2869064352601651
Energy: 1.2774804345231825
Energy: 1.3712793657809481
Energy: 1.2557783598788828
Energy: 1.2579357461490435
Energy: 1.1072369401909083
Energy: 1.3031759925120454
Energy: 1.1245221596033574
Energy: 1.1753495803970662
Energy: 1.3429878943188471
Energy: 1.17214374661119
Energy: 1.2543940889183847
Energy: 1.2013031715838403
Energy: 1.0981591280790493
Energy: 1.2242791463178662
Energy: 1.267050024368614
Energy: 1.146347909369118
Energy: 0.9821936403414139
Energy: 1.0461747787982751
Energy: 1.3101272635961612
Energy: 1.210764122566816
Energy: 1.3847132613531818
Energy: 1.3906365698223553
Energy: 1.1554223058297455
Energy: 1.1283576445491856
Energy: 1.084163460439774
Energy: 1.2446532645239432
Energy: 1.116018328476886
Energy: 0.9911490788234851
Energy: 0.9958115056711722
Energy: 1.1329987381687243
Energy: 1.155512958231616
Energy: 1.1166634312542927
Energy: 1.271102164553835
Energy: 1.201636768089776
Energy: 1.0372330519726236
Energy: 1.119225137381457
Energy: 1.1485905275671886
Energy: 1.078882545568951
Energy: 1.121591809204356
Energy: 1.2467653501489817
Energy: 1.248259468756998
Energy: 1.2525974748384754
Energy: 1.370085000948157
Energy: 1.203525324242831
Energy: 1.2305355197600676
Energy: 1.300469696683315
Energy: 1.1058959909893729
Energy: 1.186535390438246
Energy: 1.2053825296748581
Energy: 1.324679125279165
Energy: 1.250364409098623
Energy: 1.2425938008431738
Energy: 1.2661766835820851
Energy: 1.401299916978595
Energy: 1.375940325214191
Energy: 1.2519708177188182
Energy: 1.3503192237645563
Energy: 1.3603437801270084
Energy: 1.283412903134987
Energy: 1.3590857923817061
Energy: 1.183295745332439
Energy: 1.421722339413634
Energy: 1.2395797122682062
Energy: 1.245287983493791
Energy: 1.4745313398911304
Energy: 1.1300939633281062
Energy: 1.2494433257136954
Energy: 1.2409011249178223
Energy: 1.2028193172921082
Energy: 1.2490945278880676
Energy: 1.1875694766030958
Energy: 1.4265669764363047

minimum gb energy = 0.9816318226353895 eV
minimum distance =  2.27518547064262 Angstroms
sigma value = 113


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

Energy: 1.1990478867403704
Energy: 1.3998224473192802
Energy: 1.3002727585519143
Energy: 1.3331169891919095
Energy: 1.2684282382263687
Energy: 1.2777412659001048
Energy: 1.3548404065561512
Energy: 1.3886212504999835
Energy: 1.4092453270995544
Energy: 1.3765688644064524
Energy: 1.3851365564879339
Energy: 1.3984152324901984
Energy: 1.3592920577224847
Energy: 1.389225985026704
Energy: 1.4221408930120745
Energy: 1.3824315675730563
Energy: 1.252120566000462
Energy: 1.2998230339429642
Energy: 1.2997086280628385
Energy: 1.2679134431348402
Energy: 1.4175368437782854
Energy: 1.2120319893680476
Energy: 1.4124171499664147
Energy: 1.2148008662500684
Energy: 1.2811863371227163
Energy: 1.2768060881813563
Energy: 1.2080341635544556
Energy: 1.4264007263142355
Energy: 1.2075852062046093
Energy: 1.3548128049616397
Energy: 1.3784927097962085
Energy: 1.3356981019165473
Energy: 1.3234530014807349
Energy: 1.38400913268126
Energy: 1.3173755019467008
Energy: 1.0806592418157972
Energy: 1.2390296612833835
Energy: 1.265316589378909
Energy: 1.3344221790590933
Energy: 1.2533816129336817
Energy: 1.2567399803599917
Energy: 1.2030052691256248
Energy: 1.3072195762000585
Energy: 1.5017435280008242
Energy: 1.3404454171393507
Energy: 1.2948052949349522
Energy: 1.2607307449729113
Energy: 1.3010724360492052
Energy: 1.3726651818167555
Energy: 1.3718413326816696
Energy: 1.264114774312253
Energy: 1.2936507789559861
Energy: 1.3200217934599001
Energy: 1.3264467245128644
Energy: 1.3065707191757663
Energy: 1.1794220747956534
Energy: 1.1210844341641888
Energy: 1.2939116369988857
Energy: 1.2488000964089676
Energy: 1.3313693953009507
Energy: 1.2836716918869397
Energy: 1.2901128122457806
Energy: 1.27477504711053
Energy: 1.2354288909849702
Energy: 1.2999482382821443
Energy: 1.32689959318997
Energy: 1.3132259646151725
Energy: 1.4152775451564676
Energy: 1.273800674399405
Energy: 1.2413355892441928
Energy: 1.26033745317922
Energy: 1.210973020851867
Energy: 1.2428943371869863
Energy: 1.2691238594712175
Energy: 1.371897319932426
Energy: 1.2209570468663908
Energy: 1.3635254498676916
Energy: 1.21341824920304
Energy: 1.3712946334257803
Energy: 1.2718300172952954
Energy: 1.313170764512167
Energy: 1.2241501418239524
Energy: 1.2346587756970528
Energy: 1.2928281354289615
Energy: 1.3398000627756124
Energy: 1.1887255509222476
Energy: 1.227433994239742
Energy: 1.2627646239498806
Energy: 1.3138960925031216
Energy: 1.2421582868866676
Energy: 1.2107008780055022
Energy: 1.276644581717542
Energy: 1.3337542157999531
Energy: 1.352668058804029
Energy: 1.278923488258631
Energy: 1.303886587581515
Energy: 1.4136170896788198
Energy: 1.329834771971609
Energy: 1.1010283813961412
Energy: 1.2895409083848905
Energy: 1.237343517643529
Energy: 1.28892801324909
Energy: 1.3196573362302484
Energy: 1.31710659199
Energy: 1.2419530922933593
Energy: 1.1804828172631827
Energy: 1.270897753043447
Energy: 1.3465137554194235
Energy: 1.3950816111311308
Energy: 1.3236908625602772
Energy: 1.3364097986725798
Energy: 1.3810167211467725
Energy: 1.231081854375155
Energy: 1.4558132786636018
Energy: 1.306772132899358
Energy: 1.3150027580820793
Energy: 1.2397014668644646
Energy: 1.230789774658243
Energy: 1.381026173396409
Energy: 1.188672030846635
Energy: 1.3055688468694315
Energy: 1.2220449649587815
Energy: 1.2387932817337088
Energy: 1.2206482319578038
Energy: 1.2180401643087861
Energy: 1.2920364986933262
Energy: 1.3539404289349648
Energy: 1.3987315340308724
Energy: 1.3021137042687276
Energy: 1.3804336023030814
Energy: 1.4530780276074433
Energy: 1.487287396630373
Energy: 1.4124476964875516
Energy: 1.22658277120495
Energy: 1.4203285490220279
Energy: 1.2321654262910282
Energy: 1.309946764407058
Energy: 1.2770258260535967
Energy: 1.2776081699286237
Energy: 1.3893924594478153
Energy: 1.3740205887229913
Energy: 1.4730702615412534
Energy: 1.3564019272497359
Energy: 1.3678785609256283
Energy: 1.3174779809190165
Energy: 1.239127887077648
Energy: 1.3685926540251832
Energy: 1.3620538866312724
Energy: 1.4767373786912796
Energy: 1.3242604796496433
Energy: 1.4621631332787324
Energy: 1.2834563204255802
Energy: 1.2287744868612704
Energy: 1.313611836208645
Energy: 1.2001950378481365
Energy: 1.3036590954749923
Energy: 1.3084759089479192
Energy: 1.3260116858670221
Energy: 1.2683937743759373
Energy: 1.2872832159550258
Energy: 1.3540605830085988
Energy: 1.4105725858981022
Energy: 1.4405764153719298
Energy: 1.3788962930885842
Energy: 1.4030213335818362
Energy: 1.4039248743607324
Energy: 1.3554949064135053
Energy: 1.3836697022070714
Energy: 1.2999412166426785
Energy: 1.3808493474207346
Energy: 1.2329942653984576
Energy: 1.2976883043552776
Energy: 1.2346756492765272
Energy: 1.2325202080035864
Energy: 1.4180747799324187
Energy: 1.210439815837695
Energy: 1.4127462855730157
Energy: 1.2196570802417575
Energy: 1.2819322841230738
Energy: 1.2640305657215363
Energy: 1.238898808441989
Energy: 1.4241505754452126
Energy: 1.243461140646418
Energy: 1.3740401685405894
Energy: 1.3395144201030857
Energy: 1.311930886496683
Energy: 1.3981549263928295
Energy: 1.3676868028447178
Energy: 1.3157894642994836
Energy: 1.0964851771221422
Energy: 1.2376250599063137
Energy: 1.262218368282901
Energy: 1.3265598692139784
Energy: 1.2517158155219295
Energy: 1.2359508892896316
Energy: 1.2733422450178018
Energy: 1.3317905536030865
Energy: 1.2853321556661133
Energy: 1.3735426431652438
Energy: 1.3286492894986983
Energy: 1.2777276173224505
Energy: 1.3114064389350077
Energy: 1.3740667702786138
Energy: 1.3707677893647012
Energy: 1.1723004779641646
Energy: 1.2328569263254743
Energy: 1.3161514074658707
Energy: 1.3174539467857096
Energy: 1.213751704951145
Energy: 1.1902729682240243
Energy: 1.1120666513244717
Energy: 1.2941409787550198
Energy: 1.2637547908680247
Energy: 1.3221220301025525
Energy: 1.268352514147233
Energy: 1.2928705694790115
Energy: 1.264796735888908
Energy: 1.276585746693298
Energy: 1.310206825655558
Energy: 1.315821690191116
Energy: 1.3391817847712002
Energy: 1.4111531287470491
Energy: 1.2531203626809309
Energy: 1.2422600001739241
Energy: 1.2589331517575324
Energy: 1.2404435695877074
Energy: 1.2169986569030133
Energy: 1.398713026383544
Energy: 1.3327186824652912
Energy: 1.2346083170670747
Energy: 1.3357721853896583
Energy: 1.2148768569840904
Energy: 1.3897013854340723
Energy: 1.29036275449918
Energy: 1.3193342056578432
Energy: 1.2234082353731268
Energy: 1.238042614617248
Energy: 1.3243123009774547
Energy: 1.3420803337495952
Energy: 1.2816995251923022
Energy: 1.230941150290436
Energy: 1.2591407266056867
Energy: 1.3063634129048272
Energy: 1.2646481571643529
Energy: 1.1998188112942865
Energy: 1.276707508864004
Energy: 1.26587611853001
Energy: 1.3479900095176112
Energy: 1.3346490806917706
Energy: 1.3665945313319705
Energy: 1.3917345563225807
Energy: 1.3316349659088424
Energy: 1.0981364224986254
Energy: 1.312890682977772
Energy: 1.2349312933894179
Energy: 1.269030481531534
Energy: 1.3269011073436594
Energy: 1.3034819872997077
Energy: 1.25188980104368
Energy: 1.2078535886350348
Energy: 1.2834099317558758
Energy: 1.342554958417933
Energy: 1.2890856897752285
Energy: 1.3015959545833318
Energy: 1.3428949129033538
Energy: 1.3740525967454513
Energy: 1.2257325824092715
Energy: 1.461497513687121
Energy: 1.234953227154347
Energy: 1.3131396808667606
Energy: 1.2280942449995187
Energy: 1.1574230289817724
Energy: 1.3847464652505543
Energy: 1.145679978314137
Energy: 1.3022860506629392
Energy: 1.239324314682072
Energy: 1.2402363959533316
Energy: 1.282378944467273
Energy: 1.2188917839710935
Energy: 1.2926995106835706
Energy: 1.3568940793583726
Energy: 1.3973991870644416
Energy: 1.2393232631271789
Energy: 1.3856027233249335
Energy: 1.447430604033935
Energy: 1.471921679292957
Energy: 1.2897396705791169
Energy: 1.218755549835949
Energy: 1.3714716802187314
Energy: 1.2258411659025397
Energy: 1.3062259358950057
Energy: 1.276815316454659
Energy: 1.2759994185202148
Energy: 1.3868338882527622
Energy: 1.3732293904241715
Energy: 1.483920146818029
Energy: 1.2950858846317352
Energy: 1.4662966010543241
Energy: 1.2777044025906723
Energy: 1.1971533796292746
Energy: 1.3892044365260152
Energy: 1.3586132701008897
Energy: 1.387562800971288
Energy: 1.2972887156855066
Energy: 1.3634359721518938
Energy: 1.293206660211769
Energy: 1.2454610778463413
Energy: 1.3137169140945386
Energy: 1.2044714494236008
Energy: 1.4458234341320813
Energy: 1.3084708514545769
Energy: 1.3295654749962384
Energy: 1.2720844708874706
Energy: 1.2908982909992266
Energy: 1.3551476557042932

minimum gb energy = 1.0806592418157972 eV
minimum distance =  2.2210106429186 Angstroms
sigma value = 365


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

Energy: 1.1069426349255624
Energy: 1.0768132772910526
Energy: 1.0814942808550567
Energy: 1.1106595310152274
Energy: 1.110548121473813
Energy: 1.081180451510969
Energy: 1.0768698296077972
Energy: 1.1108915259984635
Energy: 1.3189962907978277
Energy: 1.0224286302540277
Energy: 1.0246364901338374
Energy: 1.0242039556047993
Energy: 1.0238337277374814
Energy: 1.3077529173212956
Energy: 1.0877935757144375
Energy: 1.2773843812733736
Energy: 1.0247319764295166
Energy: 1.0231082510913503
Energy: 1.022848997193312
Energy: 1.0239183838326222
Energy: 1.0263661329383105
Energy: 1.0616672210157239
Energy: 1.2792650813254578
Energy: 1.0600953030041786
Energy: 1.0236995208043493
Energy: 1.0231217763108869
Energy: 1.024047305844473
Energy: 1.0798374880037922
Energy: 1.1052943140086426
Energy: 1.3189131876728586
Energy: 1.0708705196655595
Energy: 1.3743336487645976
Energy: 1.0242284820992078
Energy: 1.0698399284265396
Energy: 1.319259713363739
Energy: 1.0889684509742672
Energy: 1.278893632069174
Energy: 1.0602529099861122
Energy: 1.0794667349647225
Energy: 1.1106581245669864
Energy: 1.080653422567918
Energy: 1.0772178678319773
Energy: 1.0615627456534182
Energy: 1.3191886831252448
Energy: 1.024147341858579
Energy: 1.0234517514734132
Energy: 1.0235403418800133
Energy: 1.02421592717368
Energy: 1.3075549289972588
Energy: 1.0607079235997026
Energy: 1.321202948693282
Energy: 1.0250377055840456
Energy: 1.0230794575581341
Energy: 1.0229457382566247
Energy: 1.0246216530674017
Energy: 1.320630745748516
Energy: 1.0886231867434
Energy: 1.2796640681823725
Energy: 1.0599710160085647
Energy: 1.024467534187093
Energy: 1.0236869066823089
Energy: 1.0602033940055775
Energy: 1.0780879019357412
Energy: 1.105987824467908
Energy: 1.389983059389519
Energy: 1.0706772189841205
Energy: 1.3741126873379192
Energy: 1.3739832140956683
Energy: 1.0695100704675242
Energy: 1.3885081039986895
Energy: 1.0884478268300557
Energy: 1.2796962482494452
Energy: 1.0603762328797135
Energy: 1.0239302759008275
Energy: 1.0239476624875556
Energy: 1.024302104312379
Energy: 1.078698571136463
Energy: 1.0606735940075989
Energy: 1.3067674786792622
Energy: 1.0243022439460132
Energy: 1.023176402621812
Energy: 1.0226925416808326
Energy: 1.024694916911765
Energy: 1.3083839444468737
Energy: 1.060414545616171
Energy: 1.3180863138555625
Energy: 1.0242976166641236
Energy: 1.0239058238930714
Energy: 1.0235223987169726
Energy: 1.0236693449450516
Energy: 1.322015113242637
Energy: 1.1079364992939442
Energy: 1.2798322970279812
Energy: 1.081534154162331
Energy: 1.0225454106696643
Energy: 1.110881365131486
Energy: 1.0813081889848843
Energy: 1.0780389446690883
Energy: 1.1051215869718813
Energy: 1.3185654109788407
Energy: 1.0712117584003498
Energy: 1.024252680721202
Energy: 1.023331120823571
Energy: 1.0225165700505698
Energy: 1.320281535625664
Energy: 1.0877633984696407
Energy: 1.2779710904278507
Energy: 1.0245657551158074
Energy: 1.0234090569784993
Energy: 1.0230054816496397
Energy: 1.0243714280951706
Energy: 1.0806415071780278
Energy: 1.087692183200809
Energy: 1.278368980200295
Energy: 1.0254273688435418
Energy: 1.0231715651801483
Energy: 1.0228568253004062
Energy: 1.0244585514035158
Energy: 1.0805935170822405
Energy: 1.1113827635906235
Energy: 1.3187057260737747
Energy: 1.0226900227798512
Energy: 1.0245321469375996
Energy: 1.0248937448121138
Energy: 1.0243174509017707
Energy: 1.3203727668911664
Energy: 1.107256389239242
Energy: 1.279321001501755
Energy: 1.081557137185293
Energy: 1.110953483999929
Energy: 1.1107918799450949
Energy: 1.0812481742274413
Energy: 1.0767338522087182
Energy: 1.0608505985190637
Energy: 1.3188621612423357
Energy: 1.0244963099564361
Energy: 1.0239528682913817
Energy: 1.0238564542262514
Energy: 1.0238949371722483
Energy: 1.321545993500586

minimum gb energy = 1.0224286302540277 eV
minimum distance =  2.27525524623213 Angstroms
sigma value = 23