Model name: model_name=EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000 a1: a1=[1, -1, 0] a2: a2=[1, 1, -2] a3: a3=[1, 1, 1] Species: species=Ni Lattice type: short_name=fcc Lattice constant (meters) and cohesive energy (J): a=3.5200000256299973 cohesive_energy=4.450349963542659 mass=58.6934 Min. tilt angle (degrees): theta_min=0.0 Max. tilt angle (degrees): theta_max=60.0 Max. denominator: max_denominator=8 Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5 Min. number unit cell repetitions along x direction: x_repeat=1 Min. number unit cell repetitions along z direction: z_repeat=1 Min. cell height (Angstroms): min_cell_height=10.0 Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25 Isolated atom energy: 0.0 eV ======================================== theta = 0.0 ======================================== Energy: 0.0222368691986531 Energy: 0.644237993834759 Energy: 0.38216182948947325 Energy: 0.6442019337758442 Energy: 0.0222368691986531 Energy: 0.6442379938373995 Energy: 0.38216182948947325 Energy: 0.6867078655798103 Energy: 0.02271447884316066 Energy: 0.344187238372813 Energy: 0.022634249501222566 Energy: 0.6867078655798103 Energy: 0.022714478840519994 Energy: 0.344187238372813 Energy: 0.0222368691986531 Energy: 0.644237993834759 Energy: 0.38216182948947325 Energy: 0.6442019337758442 Energy: 0.0222368691986531 Energy: 0.6442379938373995 Energy: 0.38216182948947325 Energy: 0.6867078655798103 Energy: 0.02271447884316066 Energy: 0.344187238372813 Energy: 0.022634249501222566 Energy: 0.6867078655798103 Energy: 0.022714478840519994 Energy: 0.344187238372813 Energy: 0.0222368691986531 Energy: 0.644237993834759 Energy: 0.38216182948947325 Energy: 0.6442019337758442 Energy: 0.0222368691986531 Energy: 0.6442379938373995 Energy: 0.38216182948947325 Energy: 0.6867078655798103 Energy: 0.02271447884316066 Energy: 0.344187238372813 Energy: 0.022634249501222566 Energy: 0.6867078655798103 Energy: 0.022714478840519994 Energy: 0.344187238372813 minimum gb energy = 0.0222368691986531 eV minimum distance = 2.46948895458818 Angstroms sigma value = 5 ======================================== theta = 24.43269767945453 ======================================== Energy: 1.5466780466736554 Energy: 1.521006432299108 Energy: 1.5746228719515394 Energy: 1.5183568195830326 Energy: 1.5466780466672032 Energy: 1.521006432299108 Energy: 1.5746228719547657 Energy: 1.4273775837408886 Energy: 1.4655191950815962 Energy: 1.5095722480198093 Energy: 1.4599457546630932 Energy: 1.427377583750567 Energy: 1.4655191950977267 Energy: 1.509572248013357 Energy: 1.4263567079097534 Energy: 1.4275340194256407 Energy: 1.5401313366056177 Energy: 1.4606059138060512 Energy: 1.426356707919432 Energy: 1.4275340194256407 Energy: 1.5401313366249156 Energy: 1.5266064154160335 Energy: 1.4710934127879811 Energy: 1.5720496752531317 Energy: 1.454121282287255 Energy: 1.5266064154063552 Energy: 1.4710934127718505 Energy: 1.5720496752434532 Energy: 1.4396897999441545 Energy: 1.413382878008837 Energy: 1.5445508866354645 Energy: 1.4714445450153988 Energy: 1.4396897999537743 Energy: 1.4133828779863133 Energy: 1.5445508866354645 Energy: 1.4787868995354478 Energy: 1.4599070726567311 Energy: 1.4646014948770114 Energy: 1.4652989302430648 Energy: 1.478786899532222 Energy: 1.4599070726631833 Energy: 1.4646014948608808 Energy: 1.4260372841232434 Energy: 1.491412585134345 Energy: 1.5529795705504326 Energy: 1.482791389695828 Energy: 1.4260372841393738 Energy: 1.4914125851375708 Energy: 1.5434011724623236 Energy: 1.4284302027898939 Energy: 1.4284437984541474 Energy: 1.545136051098679 Energy: 1.4649059092303844 Energy: 1.4284302027931197 Energy: 1.4284437984638259 Energy: 1.5451360510954528 Energy: 1.4098247511761783 Energy: 1.4542159565047499 Energy: 1.530513812730304 Energy: 1.4340831194418109 Energy: 1.4098247511761783 Energy: 1.454215956511202 Energy: 1.5305138127270776 Energy: 1.4389385360042972 Energy: 1.4967078624072134 Energy: 1.5291960596072391 Energy: 1.4565016011609238 Energy: 1.4389385360042972 Energy: 1.4967078624136654 Energy: 1.5291960596201435 Energy: 1.4259247043374856 Energy: 1.4425781738405012 Energy: 1.4718199353171575 Energy: 1.501136768425598 Energy: 1.4259247043407117 Energy: 1.4425781738082406 Energy: 1.4718199353171575 Energy: 1.4657867677688705 Energy: 1.5150191392381387 Energy: 1.5212250176117905 Energy: 1.4696103646419607 Energy: 1.46578676775274 Energy: 1.5150191392445909 Energy: 1.5212250176085647 Energy: 1.5584748102685975 Energy: 1.5102517854102202 Energy: 1.5483734865292689 Energy: 1.457721077992169 Energy: 1.5584748102653712 Energy: 1.5102517854134463 Energy: 1.548373486522817 Energy: 1.4256872147782214 Energy: 1.493384593713515 Energy: 1.548886270408555 Energy: 1.4309366455745198 Energy: 1.425687214755639 Energy: 1.493384593713515 Energy: 1.548886270408555 Energy: 1.4384399613965024 Energy: 1.433321778644248 Energy: 1.558319701022137 Energy: 1.442100479832586 Energy: 1.4384399613932766 Energy: 1.433321778653926 Energy: 1.5583197010285892 Energy: 1.4966672416029372 Energy: 1.500095294045449 Energy: 1.5437673170352118 Energy: 1.5632959783809333 Energy: 1.4966672415964848 Energy: 1.500095294032545 Energy: 1.5437673170287598 Energy: 1.4329838534140913 Energy: 1.4446941642067972 Energy: 1.4654943340373006 Energy: 1.4754388472033757 Energy: 1.4329838534173176 Energy: 1.44469416422938 Energy: 1.46549433402117 Energy: 1.4261748541610524 Energy: 1.4175027726343123 Energy: 1.5467907791817508 Energy: 1.46427312560351 Energy: 1.4261748541707306 Energy: 1.417502772631086 Energy: 1.5467907791849766 Energy: 1.457190798494213 Energy: 1.436571833853651 Energy: 1.54676272932949 Energy: 1.4544236967271726 Energy: 1.4571907985071173 Energy: 1.4365718338375792 Energy: 1.5467627293423944 Energy: 1.43989994795625 Energy: 1.4162815226932428 Energy: 1.5485897575751348 Energy: 1.4734249425880526 Energy: 1.439899947949798 Energy: 1.4162815226642078 Energy: 1.5485897575751348 Energy: 1.4261179101991723 Energy: 1.4398045335736098 Energy: 1.5663163413455456 Energy: 1.4427588877066675 Energy: 1.4261179102056247 Energy: 1.4398045335896819 Energy: 1.566316341351998 Energy: 1.4251307764404442 Energy: 1.4732312676987096 Energy: 1.585870062869826 Energy: 1.4369284563246547 Energy: 1.4251307764146357 Energy: 1.4732312676922577 Energy: 1.5858700628730515 Energy: 1.4402451444212012 Energy: 1.42813294047721 Energy: 1.550370288512525 Energy: 1.475330348262962 Energy: 1.4402451444212012 Energy: 1.4281329404803775 Energy: 1.550370288531882 Energy: 1.4691930331529954 Energy: 1.472657632036935 Energy: 1.5385962769265669 Energy: 1.4533480640285856 Energy: 1.4691930331433174 Energy: 1.472657632040161 Energy: 1.5385962769394124 Energy: 1.434131335430614 Energy: 1.4940144319747954 Energy: 1.5326674790941572 Energy: 1.4434191976007664 Energy: 1.4341313354435186 Energy: 1.4940144319715691 Energy: 1.5118199799212664 Energy: 1.441822933788273 Energy: 1.4435837536995633 Energy: 1.4853490979997406 Energy: 1.5161600592567703 Energy: 1.4418229338076298 Energy: 1.4435837537060157 Energy: 1.4853490980061927 Energy: 1.534429709047029 Energy: 1.423499515490336 Energy: 1.5412687046098483 Energy: 1.4423760244298207 Energy: 1.5344297090438028 Energy: 1.4234995154838836 Energy: 1.5212225439806553 Energy: 1.4918566967036375 Energy: 1.5174789514087477 Energy: 1.5558724770352375 Energy: 1.5173609625393154 Energy: 1.491856696719768 Energy: 1.5174789513926172 Energy: 1.555872477028785 Energy: 1.4875349198105496 Energy: 1.4599903993240386 Energy: 1.5906353011504915 Energy: 1.4308209324484609 Energy: 1.4875349198008714 Energy: 1.459990399327265 Energy: 1.5906353011440393 Energy: 1.422116163663154 Energy: 1.462722900575337 Energy: 1.5794252995499658 Energy: 1.4471981056190653 Energy: 1.4221161636567017 Energy: 1.462722900578563 Energy: 1.5794252995338944 Energy: 1.4344963156242483 Energy: 1.4919694709512314 Energy: 1.5483865977660618 Energy: 1.4849963021403394 Energy: 1.43449631564032 Energy: 1.4919694709544573 Energy: 1.5483865977596099 Energy: 1.4723296187484842 Energy: 1.460007644451284 Energy: 1.49007230226143 Energy: 1.4633480159383534 Energy: 1.4723296187549364 Energy: 1.4600076444287016 Energy: 1.4900723022452995 Energy: 1.448596907922923 Energy: 1.478749608141717 Energy: 1.5450089274795786 Energy: 1.428307362413849 Energy: 1.4485969079164707 Energy: 1.4787496081255869 Energy: 1.5450089274731262 Energy: 1.4556488137012231 Energy: 1.4294625674330914 Energy: 1.5774282123131047 Energy: 1.4644284295581618 Energy: 1.4556488137012231 Energy: 1.4294625674363177 Energy: 1.5774282123195569 Energy: 1.419855861929543 Energy: 1.431561453593167 Energy: 1.5431625590171554 Energy: 1.4795761517048678 Energy: 1.4198558619424473 Energy: 1.4315614535996193 Energy: 1.5431625590107032 Energy: 1.43921605192988 Energy: 1.4397540301520957 Energy: 1.5770650061977067 Energy: 1.4461631078170563 Energy: 1.4392160519331063 Energy: 1.4397540301327394 Energy: 1.5770650061912548 Energy: 1.411185874227828 Energy: 1.454254721093492 Energy: 1.6027672819371164 Energy: 1.4364142905232824 Energy: 1.41118587421815 Energy: 1.4542547210999441 Energy: 1.6027672819564727 Energy: 1.4262307899767586 Energy: 1.4301797127758296 Energy: 1.5255502233006633 Energy: 1.477171174436015 Energy: 1.426230789989663 Energy: 1.4301797127726033 Energy: 1.5255502233071152 Energy: 1.4708466048833124 Energy: 1.4859492518605202 Energy: 1.559718226394164 Energy: 1.472632709895164 Energy: 1.4708466048833124 Energy: 1.4859492518605202 Energy: 1.5597182263780334 Energy: 1.4920883505507747 Energy: 1.5013369728437533 Energy: 1.5043222021505753 Energy: 1.4745155006092876 Energy: 1.4920883505443228 Energy: 1.5013369728502057 Energy: 1.5043222021763254 Energy: 1.487411493082583 Energy: 1.4358713467122282 Energy: 1.5402574384460475 Energy: 1.4863360523978197 Energy: 1.4874114930890352 Energy: 1.4358713467026083 Energy: 1.5402574384460475 Energy: 1.4924393321464173 Energy: 1.43070767221028 Energy: 1.5483286786991017 Energy: 1.4450306933589243 Energy: 1.492439332175452 Energy: 1.430707672207054 Energy: 1.5483286787023278 Energy: 1.5581739484699648 Energy: 1.4728223914399148 Energy: 1.5703424413240228 Energy: 1.5108034024186539 Energy: 1.558173948476417 Energy: 1.4728223914399148 Energy: 1.5703424413240228 Energy: 1.4846021722985387 Energy: 1.4951353138972656 Energy: 1.5215716272167725 Energy: 1.4350415241950296 Energy: 1.484602172282408 Energy: 1.495135313916622 Energy: 1.5215716272296769 Energy: 1.4107716579146043 Energy: 1.443253790351698 Energy: 1.5645977975499732 Energy: 1.4482899649507335 Energy: 1.4107716579178302 Energy: 1.4432537903581502 Energy: 1.5645977975628775 Energy: 1.4392460229100246 Energy: 1.5047928580056413 Energy: 1.6299498629941478 Energy: 1.4896131922749074 Energy: 1.4392460229067983 Energy: 1.5047928580153198 Energy: 1.6299498629683977 Energy: 1.4101461296729445 Energy: 1.484770779973525 Energy: 1.521654730430005 Energy: 1.4375686508414909 Energy: 1.4101461296858486 Energy: 1.4847707799671315 Energy: 1.521654730433231 minimum gb energy = 1.4098247511761783 eV minimum distance = 2.16178808484562 Angstroms sigma value = 401 ======================================== theta = 27.79577249602797 ======================================== Energy: 1.4980399497813484 Energy: 1.4933787764560023 Energy: 1.6003923438313883 Energy: 1.483438595669269 Energy: 1.4980399497813484 Energy: 1.4933787764596644 Energy: 1.6003923438313883 Energy: 1.4195106601134497 Energy: 1.4450889435994174 Energy: 1.5056202893908637 Energy: 1.4740033956264544 Energy: 1.4195106601024634 Energy: 1.4450889435994174 Energy: 1.5056202893798778 Energy: 1.4296199499118278 Energy: 1.4682689959616653 Energy: 1.563301511666729 Energy: 1.4589083362105384 Energy: 1.4296199499191518 Energy: 1.4682689959689892 Energy: 1.563301511677715 Energy: 1.467957981496449 Energy: 1.4864168375145523 Energy: 1.5544156501218864 Energy: 1.4404807932915453 Energy: 1.4679579815110302 Energy: 1.4864168375255382 Energy: 1.5549240256371168 Energy: 1.4675249837518674 Energy: 1.4748084595842936 Energy: 1.4975472474584368 Energy: 1.4404888258788706 Energy: 1.4675249837445432 Energy: 1.4748084595806314 Energy: 1.4975472474474512 Energy: 1.417421731362863 Energy: 1.4433630115247922 Energy: 1.4804511197863004 Energy: 1.4894345825779172 Energy: 1.4174217313665247 Energy: 1.4433630115211304 Energy: 1.4804511197826384 Energy: 1.4349724400936015 Energy: 1.4945227644937638 Energy: 1.5346032808361594 Energy: 1.452469479214256 Energy: 1.4349724400972634 Energy: 1.4945227645084116 Energy: 1.5083236780529414 Energy: 1.4363940016063117 Energy: 1.4387717889713505 Energy: 1.5650386144934871 Energy: 1.4749043108383437 Energy: 1.4363940016026495 Energy: 1.4387717889676885 Energy: 1.5488978442577614 Energy: 1.4341797119792263 Energy: 1.4430243340685849 Energy: 1.4696671903457283 Energy: 1.472015296940438 Energy: 1.4341797119865503 Energy: 1.4430243340649231 Energy: 1.4545516532392389 Energy: 1.4676924216807914 Energy: 1.5063529773966864 Energy: 1.4662207832969913 Energy: 1.4722401583885258 Energy: 1.4676924216734673 Energy: 1.5063529773966864 Energy: 1.4298036997687493 Energy: 1.4678138560814928 Energy: 1.5164744345158612 Energy: 1.4910259504677834 Energy: 1.4719251607487223 Energy: 1.4678138560778309 Energy: 1.516474434512199 Energy: 1.4910259504677834 Energy: 1.417018735266202 Energy: 1.4526063143039472 Energy: 1.5090798472123823 Energy: 1.479518393038366 Energy: 1.417018735273526 Energy: 1.4526063143039472 Energy: 1.4954113722881852 Energy: 1.4443505638819374 Energy: 1.4586714002348151 Energy: 1.5654976006308075 Energy: 1.455667545243913 Energy: 1.4443505638892613 Energy: 1.458671400231153 Energy: 1.533065865022987 Energy: 1.4536905977062529 Energy: 1.4933787764523405 Energy: 1.6003923438313883 Energy: 1.483438595665607 Energy: 1.4536905977099144 Energy: 1.4933787764596644 Energy: 1.600392343827726 Energy: 1.4195106601097875 Energy: 1.4450889436030792 Energy: 1.5056202893908637 Energy: 1.4745553586903255 Energy: 1.419510660098802 Energy: 1.4450889435994174 Energy: 1.5056202893835398 Energy: 1.4296199499154896 Energy: 1.4682689959653272 Energy: 1.563301511666729 Energy: 1.4589083362105384 Energy: 1.4296199499154896 Energy: 1.468268995972651 Energy: 1.563301511674053 Energy: 1.467957981496449 Energy: 1.4793096729883313 Energy: 1.555247055697394 Energy: 1.4404807932915453 Energy: 1.467957981514692 Energy: 1.4793096729919932 Energy: 1.5549240256371168 Energy: 1.4675249837518674 Energy: 1.4697440808124211 Energy: 1.4975472474584368 Energy: 1.4404888258788706 Energy: 1.4675249837445432 Energy: 1.4697440808124211 Energy: 1.497547247451113 Energy: 1.417425475369184 Energy: 1.4433630115284541 Energy: 1.5204046184406668 Energy: 1.4894345825815125 Energy: 1.417425475365522 Energy: 1.4433630115247922 Energy: 1.4804511197789765 Energy: 1.434586108647183 Energy: 1.4945227644937638 Energy: 1.5124242692027916 Energy: 1.452469479214256 Energy: 1.4345861086398592 Energy: 1.4945227645084116 Energy: 1.5124242692101155 Energy: 1.436335612707849 Energy: 1.4387717889713505 Energy: 1.5662986796404141 Energy: 1.475111640481511 Energy: 1.4363356127041873 Energy: 1.4387717889640264 Energy: 1.5488978442577614 Energy: 1.4341797119792263 Energy: 1.443024334072247 Energy: 1.4561550293841676 Energy: 1.4720152969476956 Energy: 1.4341797119865503 Energy: 1.4430243340649231 Energy: 1.4561550293878296 Energy: 1.4676924216771294 Energy: 1.5063529773966864 Energy: 1.4298036997760732 Energy: 1.4722401583921876 Energy: 1.4676924216734673 Energy: 1.5063529773930244 Energy: 1.4298036997650874 Energy: 1.4678138560814928 Energy: 1.5078204079471158 Energy: 1.4910259504604593 Energy: 1.47192516074506 Energy: 1.4678138560778309 Energy: 1.5078204079434538 Energy: 1.4910259504604593 Energy: 1.417057274712977 Energy: 1.4526063142966235 Energy: 1.4954113722845233 Energy: 1.479518393038366 Energy: 1.4170572747166388 Energy: 1.4526063143002854 Energy: 1.4954113722918472 Energy: 1.4225242350343548 Energy: 1.4586714002348151 Energy: 1.533065865015663 Energy: 1.4556675452475751 Energy: 1.4225242350343548 Energy: 1.4586714002238292 Energy: 1.5330658650193247 Energy: 1.4980399497850103 Energy: 1.4933787764596644 Energy: 1.6003923438313883 Energy: 1.483438595665607 Energy: 1.4980399497850103 Energy: 1.4933787764669884 Energy: 1.600392343827726 Energy: 1.4195106601097875 Energy: 1.4450889435994174 Energy: 1.5056202893908637 Energy: 1.4740033956227923 Energy: 1.4195106601024634 Energy: 1.445088943595755 Energy: 1.5056202893798778 Energy: 1.4296199499154896 Energy: 1.4682689959653272 Energy: 1.563301511670391 Energy: 1.4589083362105384 Energy: 1.4296199499154896 Energy: 1.4682689959762465 Energy: 1.563301511677715 Energy: 1.4679579815001107 Energy: 1.4864168375145523 Energy: 1.5549240256224692 Energy: 1.4404807932952073 Energy: 1.4679579815110302 Energy: 1.4864168375255382 Energy: 1.5549240256371168 Energy: 1.467524983748205 Energy: 1.4748084595842936 Energy: 1.4975472474547749 Energy: 1.4404888258788706 Energy: 1.467524983748205 Energy: 1.4748084595806314 Energy: 1.497547247451113 Energy: 1.417421731362863 Energy: 1.443363011532116 Energy: 1.5204046184406668 Energy: 1.4894345825851745 Energy: 1.417421731362863 Energy: 1.4433630115247922 Energy: 1.4804511197863004 Energy: 1.4349724400972634 Energy: 1.494522764490102 Energy: 1.5132627360507822 Energy: 1.452469479214256 Energy: 1.4349724400972634 Energy: 1.4945227645047496 Energy: 1.513262736054444 Energy: 1.4363940016099734 Energy: 1.4387717889786742 Energy: 1.5662986796367524 Energy: 1.4749043108383437 Energy: 1.4363940016063117 Energy: 1.4387717889676885 Energy: 1.565038614475177 Energy: 1.4341797119828883 Energy: 1.4430243340685849 Energy: 1.454551653231915 Energy: 1.4720152969476956 Energy: 1.4341797119902122 Energy: 1.4430243340685849 Energy: 1.4545516532355767 Energy: 1.4676924216734673 Energy: 1.5063529773966864 Energy: 1.4298036997724113 Energy: 1.4722401583921876 Energy: 1.4676924216734673 Energy: 1.5063529774003483 Energy: 1.4298036997650874 Energy: 1.4678138560851548 Energy: 1.516474434512199 Energy: 1.4910259504677834 Energy: 1.4719251607413983 Energy: 1.4678138560851548 Energy: 1.516474434512199 Energy: 1.4910259504677834 Energy: 1.417018735266202 Energy: 1.4526063143039472 Energy: 1.4954113722881852 Energy: 1.479518393038366 Energy: 1.417018735277188 Energy: 1.4526063143076091 Energy: 1.4954113722955091 Energy: 1.4443505638819374 Energy: 1.4586714002348151 Energy: 1.533065865015663 Energy: 1.4556675452475751 Energy: 1.4443505638929233 Energy: 1.4586714002274912 Energy: 1.533065865015663 Energy: 1.4536905977062529 Energy: 1.4933787764596644 Energy: 1.600392343827726 Energy: 1.483438595669269 Energy: 1.4536905977099144 Energy: 1.4933787764633262 Energy: 1.6003923438240644 Energy: 1.4195106601134497 Energy: 1.4450889436030792 Energy: 1.5056202893908637 Energy: 1.4745553586830016 Energy: 1.4195106601024634 Energy: 1.4450889435920933 Energy: 1.5056202893798778 minimum gb energy = 1.417018735266202 eV minimum distance = 2.21879361466702 Angstroms sigma value = 311 ======================================== theta = 32.20422750397202 ======================================== Energy: 1.5228760514914577 Energy: 1.47368871009799 Energy: 1.583917316057621 Energy: 1.5161088368493867 Energy: 1.522876051490612 Energy: 1.473688710095876 Energy: 1.5833727702880265 Energy: 1.547197361057874 Energy: 1.52520532010868 Energy: 1.5982215601888803 Energy: 1.4636618237666175 Energy: 1.5471973610540684 Energy: 1.5252053201103715 Energy: 1.598221560189726 Energy: 1.5033993504633687 Energy: 1.5189219628433108 Energy: 1.6557726986962156 Energy: 1.5093299743893274 Energy: 1.5033993504582945 Energy: 1.5189219628411963 Energy: 1.6731466246570637 Energy: 1.5318182154334488 Energy: 1.4616900853007215 Energy: 1.6358242390586575 Energy: 1.4654364283405286 Energy: 1.5318182154342943 Energy: 1.4616900852990302 Energy: 1.635824239057389 Energy: 1.5253825449480392 Energy: 1.4856047498764589 Energy: 1.5723536887660687 Energy: 1.490939487119241 Energy: 1.5253825449471934 Energy: 1.4856047498747675 Energy: 1.6176322657200446 Energy: 1.46836973761885 Energy: 1.4783163099186423 Energy: 1.5311593750185966 Energy: 1.5087578024544317 Energy: 1.4683697376171585 Energy: 1.4783163099139907 Energy: 1.5311593750194423 Energy: 1.4678782261701995 Energy: 1.5587376449331878 Energy: 1.5437032254284653 Energy: 1.4824596617060088 Energy: 1.4678782261731593 Energy: 1.5587376449314965 Energy: 1.5437032254255056 Energy: 1.519171913593584 Energy: 1.4780254585102621 Energy: 1.667953452036636 Energy: 1.5109172080809508 Energy: 1.519171913596121 Energy: 1.4780254585073025 Energy: 1.667953452033253 Energy: 1.5000028578150846 Energy: 1.46638051019182 Energy: 1.5913120067924982 Energy: 1.4856863020169313 Energy: 1.5000028578155076 Energy: 1.4663805101867455 Energy: 1.5913120067954578 Energy: 1.4676091567468357 Energy: 1.504984629217174 Energy: 1.5486143560231316 Energy: 1.487402897251692 Energy: 1.4676091567468357 Energy: 1.5049846292214024 Energy: 1.548614356021863 Energy: 1.5797168428360815 Energy: 1.5266905303423226 Energy: 1.5525534489126016 Energy: 1.4498943244994842 Energy: 1.5797168428356585 Energy: 1.5266905303368254 Energy: 1.5525534489109105 Energy: 1.5331192940450198 Energy: 1.5226769213723677 Energy: 1.5959426643001173 Energy: 1.570879377995148 Energy: 1.5331192940496714 Energy: 1.5226769213715217 Energy: 1.595942664298426 Energy: 1.518203820920295 Energy: 1.5305590412917343 Energy: 1.6093473278308275 Energy: 1.4632466635686183 Energy: 1.518203820919872 Energy: 1.5305590412930028 Energy: 1.6093473278304042 Energy: 1.4953890632976246 Energy: 1.4901306842388016 Energy: 1.634975057549897 Energy: 1.5202366402154213 Energy: 1.4953890632993159 Energy: 1.4901306842417616 Energy: 1.6349750575515885 Energy: 1.5257223662170414 Energy: 1.4604783585527403 Energy: 1.6133882765187342 Energy: 1.4635251291130045 Energy: 1.52572236621831 Energy: 1.4604783585502035 Energy: 1.6133882765204255 Energy: 1.571013669421124 Energy: 1.5017893731785719 Energy: 1.55409800040923 Energy: 1.4968121445535187 Energy: 1.5710136694207013 Energy: 1.501789373176458 Energy: 1.5540980004079612 Energy: 1.5503674783818677 Energy: 1.484132950368847 Energy: 1.5568205564916933 Energy: 1.520253433683759 Energy: 1.5503674783793306 Energy: 1.4841329503692697 Energy: 1.5568205564929618 Energy: 1.4816382260750782 Energy: 1.4875461240211139 Energy: 1.5316989230011804 Energy: 1.5047542812891563 Energy: 1.48163822607381 Energy: 1.4875461240202679 Energy: 1.5316989230020261 Energy: 1.4695660321054398 Energy: 1.4836079938156332 Energy: 1.583224863616679 Energy: 1.476860921765977 Energy: 1.4695660321079769 Energy: 1.4836079938190163 Energy: 1.5414976324334162 Energy: 1.4977072715868114 Energy: 1.4661541062527816 Energy: 1.6045449476346925 Energy: 1.475531528248023 Energy: 1.4977072715868114 Energy: 1.4661541062510903 Energy: 1.604544947635538 Energy: 1.507794330427993 Energy: 1.492607031780818 Energy: 1.5901970713195916 Energy: 1.524777397877609 Energy: 1.5077943304258787 Energy: 1.4926070317803954 Energy: 1.5767677823759292 Energy: 1.480708170186264 Energy: 1.5289662706007894 Energy: 1.54593287373066 Energy: 1.4520247690510066 Energy: 1.480708170188801 Energy: 1.5289662706041718 Energy: 1.5459328737310827 Energy: 1.5296456978188837 Energy: 1.4998750518700272 Energy: 1.5099131132345596 Energy: 1.5439386494714795 Energy: 1.5296456978163466 Energy: 1.4998750518636847 Energy: 1.509913113233291 Energy: 1.480572221343738 Energy: 1.5282009599543147 Energy: 1.6177104628025454 Energy: 1.4626969962435583 Energy: 1.4805722213420465 Energy: 1.5282009599517778 Energy: 1.6177104628025454 Energy: 1.5065279911298775 Energy: 1.4848583635643358 Energy: 1.554110032586299 Energy: 1.4968887888981 Energy: 1.5065279911324143 Energy: 1.484858363566027 Energy: 1.554110032586299 Energy: 1.5194640279180405 Energy: 1.5171420338592945 Energy: 1.5961517036725168 Energy: 1.466046164370864 Energy: 1.5194640279197322 Energy: 1.517142033858026 Energy: 1.596151703669557 Energy: 1.549700235253688 Energy: 1.4815861646293733 Energy: 1.5492995304677541 Energy: 1.473727824394396 Energy: 1.5497002352549563 Energy: 1.4815861646323332 Energy: 1.5774198869301295 Energy: 1.5278739745349632 Energy: 1.4794092831272263 Energy: 1.5926899277836295 Energy: 1.522617927464322 Energy: 1.5278739745341174 Energy: 1.4794092831268033 Energy: 1.592689927784475 Energy: 1.5003244488461063 Energy: 1.5155510407407227 Energy: 1.673409124604289 Energy: 1.4926991818043196 Energy: 1.5003244488473748 Energy: 1.5155510407424144 Energy: 1.6734091246051346 Energy: 1.4859990039697162 Energy: 1.4839129118945198 Energy: 1.6327302386355094 Energy: 1.4829562940486416 Energy: 1.4859990039676019 Energy: 1.4839129118987482 Energy: 1.632730238639315 Energy: 1.5163217918830532 Energy: 1.4858060018454373 Energy: 1.5318668357072793 Energy: 1.4861846100826765 Energy: 1.516321791879286 Energy: 1.4858060018471284 Energy: 1.5318668357098166 Energy: 1.5003835949185513 Energy: 1.4527739012109995 Energy: 1.545213173568976 Energy: 1.4648147978513413 Energy: 1.5003835949189743 Energy: 1.452773901207194 Energy: 1.5452131735702448 Energy: 1.4719842781862407 Energy: 1.5623920904610558 Energy: 1.5487465986281919 Energy: 1.5091913161168558 Energy: 1.4719842781845496 Energy: 1.5623920904602104 Energy: 1.5487465986248092 Energy: 1.4946616442460487 Energy: 1.5069533329739457 Energy: 1.7076895482532906 Energy: 1.5041452115341623 Energy: 1.4946616442443574 Energy: 1.5069533329705629 Energy: 1.7076895482499077 Energy: 1.4711825299153336 Energy: 1.5023045875890524 Energy: 1.584734546995662 Energy: 1.514127431419665 Energy: 1.4711825299161791 Energy: 1.5023045875920122 Energy: 1.5847345469985836 Energy: 1.4674870454636344 Energy: 1.5032252712267742 Energy: 1.6045663803957178 Energy: 1.4871736531355089 Energy: 1.4674870454665943 Energy: 1.5032252712255059 Energy: 1.6045663803965635 minimum gb energy = 1.4498943244994842 eV minimum distance = 2.22105466931671 Angstroms sigma value = 39 ======================================== theta = 38.21321070173819 ======================================== Energy: 1.4801135095279794 Energy: 1.4844516997863053 Energy: 1.5131124418545518 Energy: 1.4844458371335205 Energy: 1.480113509521991 Energy: 1.484451699783311 Energy: 1.513112441855051 Energy: 1.4615394601569347 Energy: 1.5099763391347325 Energy: 1.3643971003809954 Energy: 1.5096793683356886 Energy: 1.461539460173902 Energy: 1.5099763391482062 Energy: 1.3643971003854864 Energy: 1.4802807640840152 Energy: 1.4030827537854442 Energy: 1.4818679135710362 Energy: 1.4434298473976006 Energy: 1.4802807640720381 Energy: 1.4030827537724693 Energy: 1.4818679135750286 Energy: 1.4810299439351842 Energy: 1.50996986859052 Energy: 1.364284161072133 Energy: 1.424037343515476 Energy: 1.4810299439431687 Energy: 1.5099698685950116 Energy: 1.3642841610776224 Energy: 1.5350740335541677 Energy: 1.4424149652905283 Energy: 1.4409113055740976 Energy: 1.4434040851926864 Energy: 1.5350740335516726 Energy: 1.4424149652785514 Energy: 1.4409113055711038 Energy: 1.4814020636593719 Energy: 1.4247963889922923 Energy: 1.5798918469971748 Energy: 1.4417952894221688 Energy: 1.4814020636708498 Energy: 1.4247963889942883 Energy: 1.579891847002165 Energy: 1.5559857543543043 Energy: 1.4422490838986268 Energy: 1.4701516538049975 Energy: 1.442404000119382 Energy: 1.5559857543572988 Energy: 1.4422490838981277 Energy: 1.457820956892128 Energy: 1.4815103624528356 Energy: 1.3958143477130192 Energy: 1.579429015376921 Energy: 1.3957630654070352 Energy: 1.4815103624493426 Energy: 1.3958143477205045 Energy: 1.5794290153719306 Energy: 1.5562053446367683 Energy: 1.4424185741449747 Energy: 1.4816319005191723 Energy: 1.4423165585146436 Energy: 1.5562053446287836 Energy: 1.4424185741594469 Energy: 1.4816319005116867 Energy: 1.4813356030852025 Energy: 1.4418097871252422 Energy: 1.579611488008776 Energy: 1.424770591113962 Energy: 1.4813356030837053 Energy: 1.4418097871342246 Energy: 1.5796114880027874 Energy: 1.535262591673408 Energy: 1.443445826596484 Energy: 1.4548944048093069 Energy: 1.4423900271005248 Energy: 1.5352625916828442 Energy: 1.4434458266004762 Energy: 1.4244170042757978 Energy: 1.4809447472668555 Energy: 1.4240862244794825 Energy: 1.3642647776684804 Energy: 1.5101637900735447 Energy: 1.4809447472727988 Energy: 1.4240862244924575 Energy: 1.3642647776684804 Energy: 1.4799519620725623 Energy: 1.4434960082011954 Energy: 1.4461418736518734 Energy: 1.4031034946615044 Energy: 1.4799519620640786 Energy: 1.443496008209634 Energy: 1.4253713339366556 Energy: 1.461547666848539 Energy: 1.5096902976598443 Energy: 1.3642628406983122 Energy: 1.5099657234488006 Energy: 1.4615476668450458 Energy: 1.509690297667829 Energy: 1.364262840695318 Energy: 1.4801135095264821 Energy: 1.4844516997863053 Energy: 1.5131124418530548 Energy: 1.4844458371350178 Energy: 1.4801135095194957 Energy: 1.4844516997843091 Energy: 1.5131124418510584 Energy: 1.461539460156436 Energy: 1.5099763391397225 Energy: 1.3643971003839892 Energy: 1.5096793683366867 Energy: 1.4615394601734033 Energy: 1.5099763391492043 Energy: 1.3643971003839892 Energy: 1.4802807640860114 Energy: 1.4030827537844464 Energy: 1.4818679135715354 Energy: 1.4434298473971017 Energy: 1.4802807640730362 Energy: 1.4030827537744655 Energy: 1.4818679135755273 Energy: 1.481029943931691 Energy: 1.509969868591019 Energy: 1.364284161076624 Energy: 1.424037343514977 Energy: 1.4810299439416714 Energy: 1.5099698685955103 Energy: 1.3642841610811158 Energy: 1.535074033553669 Energy: 1.4424149652885323 Energy: 1.440911305576094 Energy: 1.4434040851896925 Energy: 1.5350740335511734 Energy: 1.4424149652775533 Energy: 1.440911305575595 Energy: 1.4814020636593719 Energy: 1.4247963889932904 Energy: 1.5798918469946794 Energy: 1.4417952894236663 Energy: 1.4814020636698517 Energy: 1.4247963889947877 Energy: 1.579891847002165 Energy: 1.5559857543567992 Energy: 1.442249083900124 Energy: 1.4578209568941245 Energy: 1.4424040001203802 Energy: 1.5559857543582967 Energy: 1.4422490838986268 Energy: 1.457820956892627 Energy: 1.48151036245084 Energy: 1.3958143477100247 Energy: 1.5794290153749249 Energy: 1.3957630654080333 Energy: 1.4815103624478454 Energy: 1.3958143477185083 Energy: 1.5794290153704336 Energy: 1.556205344636269 Energy: 1.4424185741449747 Energy: 1.4816319005166774 Energy: 1.4423165585146436 Energy: 1.5562053446287836 Energy: 1.4424185741589477 Energy: 1.4816319005121859 Energy: 1.4813356030857014 Energy: 1.4418097871257411 Energy: 1.579611488008776 Energy: 1.4247705911154591 Energy: 1.4813356030842044 Energy: 1.4418097871367197 Energy: 1.5796114880022885 Energy: 1.535262591674406 Energy: 1.443445826596484 Energy: 1.42441700427979 Energy: 1.442390027102521 Energy: 1.5352625916823455 Energy: 1.4434458265994783 Energy: 1.424417004277794 Energy: 1.4809447472663564 Energy: 1.4240862244794825 Energy: 1.3642647776709755 Energy: 1.5101637900725466 Energy: 1.4809447472713015 Energy: 1.4240862244919585 Energy: 1.3642647776704766 Energy: 1.4799519620695678 Energy: 1.4434960082011954 Energy: 1.4253713339491318 Energy: 1.4031034946615044 Energy: 1.4799519620640786 Energy: 1.443496008210632 Energy: 1.4253713339386518 Energy: 1.46154766684804 Energy: 1.5096902976588462 Energy: 1.364262840698811 Energy: 1.5099657234483017 Energy: 1.4615476668435488 Energy: 1.509690297669326 Energy: 1.364262840697314 Energy: 1.4801135095284785 Energy: 1.4844516997863053 Energy: 1.513112441854053 Energy: 1.4844458371340197 Energy: 1.48011350952249 Energy: 1.48445169978381 Energy: 1.513112441855051 Energy: 1.4615394601574336 Energy: 1.5099763391347325 Energy: 1.364397100381993 Energy: 1.50967936833519 Energy: 1.4615394601744014 Energy: 1.5099763391477072 Energy: 1.3643971003849873 minimum gb energy = 1.364262840695318 eV minimum distance = 2.24043065640127 Angstroms sigma value = 21 ======================================== theta = 46.82644889274107 ======================================== Energy: 1.4854824359121326 Energy: 1.5933407601210656 Energy: 1.4856192724727713 Energy: 1.5933337504680913 Energy: 1.4854824359139502 Energy: 1.5933407601186422 Energy: 1.485619272477012 Energy: 1.5280097635681653 Energy: 1.452129476932267 Energy: 1.5223285690666126 Energy: 1.451966142184635 Energy: 1.5280097635711942 Energy: 1.4521294769286321 Energy: 1.5223285690647954 Energy: 1.485585092300007 Energy: 1.4524619127630634 Energy: 1.4725307731151014 Energy: 1.4455474525622123 Energy: 1.4855850923012186 Energy: 1.452461912763669 Energy: 1.4725307731175248 Energy: 1.5079999416745902 Energy: 1.4520669462795288 Energy: 1.6044658640679608 Energy: 1.4526979207679922 Energy: 1.5079999416758014 Energy: 1.4520669462807405 Energy: 1.6044658640661433 Energy: 1.4386543643156748 Energy: 1.5285455707119833 Energy: 1.4373551998139362 Energy: 1.4808016654144684 Energy: 1.438654364312646 Energy: 1.528545570712589 Energy: 1.4373551998133307 Energy: 1.5081162091350269 Energy: 1.4460751701066166 Energy: 1.4927547925005458 Energy: 1.4715436761889602 Energy: 1.5081162091319977 Energy: 1.4460751701108572 Energy: 1.4927547925035751 Energy: 1.485574595852369 Energy: 1.5284896051040207 Energy: 1.4594517126683397 Energy: 1.463514764894605 Energy: 1.485574595853553 Energy: 1.5284896051052324 Energy: 1.4594517126677338 Energy: 1.4970431578661947 Energy: 1.4470592713751418 Energy: 1.4935649893629885 Energy: 1.4714297775691672 Energy: 1.4970431578704353 Energy: 1.4470592713745358 Energy: 1.4935649893599596 Energy: 1.4855789054428117 Energy: 1.4847821266921872 Energy: 1.5167210054702494 Energy: 1.4818525329423489 Energy: 1.4855789054434174 Energy: 1.48478212669037 Energy: 1.5167210054696432 Energy: 1.4890018410372532 Energy: 1.4460910803184683 Energy: 1.4637367607444558 Energy: 1.4702358392226238 Energy: 1.4890018410396766 Energy: 1.4460910803142277 Energy: 1.4637367607493024 Energy: 1.4791340946538274 Energy: 1.5102684246498832 Energy: 1.4735757122585715 Energy: 1.462810805380286 Energy: 1.4791340946501927 Energy: 1.5102684246504892 Energy: 1.4735757122603887 Energy: 1.4023129750073167 Energy: 1.4735791694047582 Energy: 1.4747585540990478 Energy: 1.4253767074958692 Energy: 1.402312975006105 Energy: 1.4735791694065756 Energy: 1.4747585541002592 Energy: 1.4796401052042163 Energy: 1.4578416370204825 Energy: 1.4655990089630868 Energy: 1.4561481844972608 Energy: 1.479640105208457 Energy: 1.4578416370241174 Energy: 1.45543693215082 Energy: 1.4029264660666416 Energy: 1.4744790056242851 Energy: 1.4955052321344733 Energy: 1.409389264293483 Energy: 1.402926466067853 Energy: 1.4744790056236794 Energy: 1.4955052321332614 Energy: 1.5079677458003562 Energy: 1.4118983065498292 Energy: 1.507207269185888 Energy: 1.462458243581486 Energy: 1.507967745797327 Energy: 1.4118983065480117 Energy: 1.5072072691816474 Energy: 1.4023541538085529 Energy: 1.5230477898744315 Energy: 1.495493174480419 Energy: 1.5326610171361978 Energy: 1.4023541538109763 Energy: 1.523047789872614 Energy: 1.49549317447739 Energy: 1.5086032041848594 Energy: 1.4111379541169304 Energy: 1.4841339201827455 Energy: 1.4627886227498346 Energy: 1.5086032041872826 Energy: 1.4111379541169304 Energy: 1.4948451146147133 Energy: 1.4024400679046487 Energy: 1.4617031712949977 Energy: 1.4728348658783392 Energy: 1.496181928188474 Energy: 1.4024400679052549 Energy: 1.4617031712949977 Energy: 1.4728348658765218 Energy: 1.4859559636199642 Energy: 1.4109829677747476 Energy: 1.515076399857049 Energy: 1.4545477978596195 Energy: 1.4859559636217814 Energy: 1.4109829677711125 Energy: 1.5150763998582606 Energy: 1.4036159353812694 Energy: 1.4978070191363728 Energy: 1.466722655540417 Energy: 1.4977955700776842 Energy: 1.403615935382481 Energy: 1.4978070191412192 Energy: 1.4667226555452635 Energy: 1.4859594032042704 Energy: 1.4545030290086707 Energy: 1.5150658144360571 Energy: 1.410956805346277 Energy: 1.4859594032066938 Energy: 1.4545030290092766 Energy: 1.5150658144348452 Energy: 1.4024434368513485 Energy: 1.4961550585481114 Energy: 1.4728186579661855 Energy: 1.4617680290550954 Energy: 1.402443436856195 Energy: 1.4961550585420533 Energy: 1.4728186579631566 Energy: 1.5086686683912391 Energy: 1.4627420359982326 Energy: 1.484342289981961 Energy: 1.4113112754472816 Energy: 1.5086686683924506 Energy: 1.4627420360018677 Energy: 1.4843422899813552 Energy: 1.4023645464234753 Energy: 1.5326406879447265 Energy: 1.495675458846333 Energy: 1.5230777625043117 Energy: 1.4023645464204464 Energy: 1.532640687945332 Energy: 1.4956754588426981 Energy: 1.5081559234843895 Energy: 1.4623858050796794 Energy: 1.577122512677851 Energy: 1.4118919862392805 Energy: 1.508155923484995 Energy: 1.4623858050766505 Energy: 1.577122512677851 minimum gb energy = 1.402312975006105 eV minimum distance = 2.21279130729281 Angstroms sigma value = 113 ======================================== theta = 52.659006983369785 ======================================== Energy: 1.5234104737037584 Energy: 1.514022051768074 Energy: 1.4954345228664496 Energy: 1.5140359207128784 Energy: 1.5234104737003773 Energy: 1.51402205175455 Energy: 1.4954345228596877 Energy: 1.5003535744211978 Energy: 1.4706617639881872 Energy: 1.5246463011476563 Energy: 1.4700045121126897 Energy: 1.5003535744144358 Energy: 1.4706617639712818 Energy: 1.524646301154357 Energy: 1.4559217672648932 Energy: 1.4521200011694189 Energy: 1.588490418967751 Energy: 1.452944513827438 Energy: 1.4559217672648932 Energy: 1.4521200011660376 Energy: 1.588490418977894 Energy: 1.383861906952083 Energy: 1.4704761478897102 Energy: 1.6259645356938097 Energy: 1.4693319478979485 Energy: 1.383861906948702 Energy: 1.4704761478998531 Energy: 1.6259645356938097 Energy: 1.5086264813318901 Energy: 1.3937541549806778 Energy: 1.5211242245978838 Energy: 1.3915313774907814 Energy: 1.5086264813521766 Energy: 1.393754154963834 Energy: 1.5211242246080272 Energy: 1.3841327984957341 Energy: 1.4157277165705113 Energy: 1.5739962488748431 Energy: 1.4133697141847759 Energy: 1.384132798499115 Energy: 1.4157277165637494 Energy: 1.5739962488647004 Energy: 1.4307088853966907 Energy: 1.3937527469564241 Energy: 1.5552330437361783 Energy: 1.4117021798283034 Energy: 1.4307088853933099 Energy: 1.3937527469530435 Energy: 1.5552330437294162 Energy: 1.3827185832537712 Energy: 1.4203823477853532 Energy: 1.6257588233658031 Energy: 1.4050073835994095 Energy: 1.3827185832571522 Energy: 1.42038234777521 Energy: 1.625758823352279 Energy: 1.430736369058353 Energy: 1.404446891191535 Energy: 1.5613493006092862 Energy: 1.3904475401900553 Energy: 1.4307363690549717 Energy: 1.4044468912219643 Energy: 1.5613493006228103 Energy: 1.3874875482202684 Energy: 1.419875690539794 Energy: 1.4743810483701434 Energy: 1.4065988006844874 Energy: 1.3874875482202684 Energy: 1.4198756905431134 Energy: 1.4743810483465378 Energy: 1.4331952089385442 Energy: 1.4592924897405841 Energy: 1.5758076647556085 Energy: 1.3903393319796202 Energy: 1.4331952089351634 Energy: 1.4592924897574893 Energy: 1.5758076647522277 Energy: 1.3874632130103666 Energy: 1.4065166957217046 Energy: 1.6071889506853074 Energy: 1.409154460028086 Energy: 1.3874632130069853 Energy: 1.4065166957081805 Energy: 1.6071889506819264 Energy: 1.451230095048482 Energy: 1.4190196655657625 Energy: 1.5452436491164887 Energy: 1.407625123686608 Energy: 1.4512300950552446 Energy: 1.419019665569082 Energy: 1.5452436491029646 Energy: 1.432339983977813 Energy: 1.5030612533745178 Energy: 1.6386417647732985 Energy: 1.4598067582734977 Energy: 1.43233998396767 Energy: 1.503061253357674 Energy: 1.638641764763155 Energy: 1.4514724405976343 Energy: 1.4838771073194388 Energy: 1.5853333280544342 Energy: 1.4707323119746842 Energy: 1.451472440604335 Energy: 1.483877107329582 Energy: 1.5853333280544342 Energy: 1.4323822620295854 Energy: 1.4064000091120978 Energy: 1.6295520711489913 Energy: 1.4090867637981386 Energy: 1.4323822620431095 Energy: 1.406400009108717 Energy: 1.6295520711557532 Energy: 1.433858401880736 Energy: 1.4189385281811353 Energy: 1.7095244954096682 Energy: 1.407343205461646 Energy: 1.4338584018773552 Energy: 1.4189385282048024 Energy: 1.709524495399525 Energy: 1.3872938983462504 Energy: 1.3955921240462206 Energy: 1.5847174709411211 Energy: 1.4080328916865157 Energy: 1.3872938983496315 Energy: 1.3955921240428393 Energy: 1.5847174709546452 Energy: 1.4323190113021957 Energy: 1.4301858856690455 Energy: 1.5369995042739975 Energy: 1.4402551425049224 Energy: 1.4323190113224815 Energy: 1.4301858856690455 Energy: 1.5369995042875217 Energy: 1.4081791678024027 Energy: 1.3970023337178692 Energy: 1.6054235881173387 Energy: 1.4036902997913479 Energy: 1.4081791677956406 Energy: 1.3970023337246311 Energy: 1.6054235881139578 Energy: 1.4532602842435363 Energy: 1.3995803247901524 Energy: 1.5501239874934847 Energy: 1.4988172019732038 Energy: 1.4532602842502984 Energy: 1.3995803247833905 Energy: 1.5501239874833417 Energy: 1.4083606587771766 Energy: 1.4010618757547524 Energy: 1.5602262724011104 Energy: 1.4091262399011977 Energy: 1.4083606587940205 Energy: 1.4010618757818003 Energy: 1.560226272384205 Energy: 1.4531061226890174 Energy: 1.3977219628700102 Energy: 1.617116097274462 Energy: 1.4817621175654059 Energy: 1.4531061226890174 Energy: 1.3977219628801534 Energy: 1.617116097277843 Energy: 1.427918218421709 Energy: 1.4058387339251113 Energy: 1.5230497545802166 Energy: 1.409515044953179 Energy: 1.427918218418328 Energy: 1.4058387339251113 Energy: 1.5230497545802166 Energy: 1.4534811734836743 Energy: 1.4664470417081155 Energy: 1.5075826545429827 Energy: 1.5395655347269 Energy: 1.453481173480293 Energy: 1.4664470417148774 Energy: 1.5075826545260778 Energy: 1.4313184811795931 Energy: 1.473474243389019 Energy: 1.6233839160477441 Energy: 1.4082217575620555 Energy: 1.4313184811829744 Energy: 1.473474243395781 Energy: 1.6233839160511252 Energy: 1.569462219989509 Energy: 1.4672081167004971 Energy: 1.4343223234214086 Energy: 1.5436499862990636 Energy: 1.569462219999652 Energy: 1.4672081166971158 Energy: 1.4343223234180278 Energy: 1.4336057077656597 Energy: 1.5378396566972776 Energy: 1.6498491111153561 Energy: 1.4717120540022366 Energy: 1.4336057077453734 Energy: 1.5378396567074204 Energy: 1.6498491111288802 Energy: 1.5688965583334475 Energy: 1.4677146440507292 Energy: 1.4368080428706087 Energy: 1.5401710190150706 Energy: 1.5688965583503527 Energy: 1.4677146440304432 Energy: 1.4368080428739893 Energy: 1.434702291914384 Energy: 1.4692956951638778 Energy: 1.6127295084668312 Energy: 1.4090295640134791 Energy: 1.4347022919042407 Energy: 1.4692956951706397 Energy: 1.61272950846345 Energy: 1.4443649301874126 Energy: 1.4679842511998011 Energy: 1.5595941925532932 Energy: 1.5437591135741973 Energy: 1.4443649301806503 Energy: 1.467984251176134 Energy: 1.5595941925634362 Energy: 1.4356050623058012 Energy: 1.4108728300717126 Energy: 1.5501562701501281 Energy: 1.4085153132862693 Energy: 1.435605062285515 Energy: 1.4108728300784745 Energy: 1.550156270146747 Energy: 1.444408993154578 Energy: 1.4134350449338107 Energy: 1.5112958672586199 Energy: 1.472011937971451 Energy: 1.444408993154578 Energy: 1.4134350449304298 Energy: 1.5112958672383334 Energy: 1.4357263770096305 Energy: 1.4102910980832153 Energy: 1.4830001643191304 Energy: 1.419541992592517 Energy: 1.4357263770029296 Energy: 1.4102910980899774 Energy: 1.4830001643225112 Energy: 1.4210672942766678 Energy: 1.406142386948158 Energy: 1.545882877764849 Energy: 1.4729890301746835 Energy: 1.4210672942901916 Energy: 1.406142386948158 Energy: 1.5458828777513864 Energy: 1.435730363143788 Energy: 1.4227834024155854 Energy: 1.5211646577974312 Energy: 1.4035910504068558 Energy: 1.435730363120121 Energy: 1.4227834024155854 Energy: 1.5211646577940499 Energy: 1.4203028560098643 Energy: 1.4094840361610685 Energy: 1.4651358404300292 Energy: 1.4940985522168886 Energy: 1.420302855992959 Energy: 1.4094840361779735 Energy: 1.4651358404469346 Energy: 1.4194440853659294 Energy: 1.414425680625063 Energy: 1.4917947179097764 Energy: 1.4036835683493627 Energy: 1.4194440853760109 Energy: 1.41442568061492 Energy: 1.4917947179063955 Energy: 1.4206336736816518 Energy: 1.483909829812182 Energy: 1.5099474442440355 Energy: 1.4722072828956336 Energy: 1.4206336736884138 Energy: 1.4839098298020388 Energy: 1.5099474442406546 Energy: 1.4194105670755321 Energy: 1.4772426134445582 Energy: 1.5300543555817878 Energy: 1.4627725285458704 Energy: 1.419410567082294 Energy: 1.4772426134479393 Energy: 1.5300543555918693 Energy: 1.480503133967852 Energy: 1.4890891173935694 Energy: 1.5842757664058758 Energy: 1.4725861564379237 Energy: 1.480503133967852 Energy: 1.4890891173834266 Energy: 1.5842757664126381 Energy: 1.4196095757547418 Energy: 1.4370865878496473 Energy: 1.707237375654257 Energy: 1.5415027467596891 Energy: 1.419609575761504 Energy: 1.4370865878462662 Energy: 1.7072373756373518 Energy: 1.4261196000142482 Energy: 1.4734419122541424 Energy: 1.6231258740085344 Energy: 1.4570477442678438 Energy: 1.4261196000007241 Energy: 1.4734419122541424 Energy: 1.6231258740355827 Energy: 1.4439980574074043 Energy: 1.4226361315129041 Energy: 1.7205339051968607 Energy: 1.410548203821634 Energy: 1.4439980574310716 Energy: 1.422636131502761 Energy: 1.7205339051934794 Energy: 1.3879025190651637 Energy: 1.4638572032749873 Energy: 1.6230275028500856 Energy: 1.4904096023976832 Energy: 1.387902519078688 Energy: 1.4638572032749873 Energy: 1.6230275028568477 minimum gb energy = 1.3827185832537712 eV minimum distance = 2.13293369772619 Angstroms sigma value = 365 ======================================== theta = 59.99999999999999 ======================================== Energy: 1.3668343833033467 Energy: 1.310207768798869 Energy: 1.269835826769251 Energy: 1.310207768798869 Energy: 1.3668343833048713 Energy: 1.310207768798869 Energy: 1.4212425459301048 Energy: 1.3668343833048713 Energy: 1.310207768798869 Energy: 1.5697453899209743 Energy: 1.3102077687981064 Energy: 1.3668343832995353 Energy: 1.310207768801918 Energy: 1.4212425459400142 Energy: 1.3668343833041092 Energy: 1.310207768801918 Energy: 1.4918808507586725 Energy: 1.3102077688011557 Energy: 1.3668343833071581 Energy: 1.3102077687981064 Energy: 1.4212425459392521 Energy: 1.3668343833025847 Energy: 1.310207768798869 Energy: 1.260520909796278 Energy: 1.3102077688003935 Energy: 1.3668343833063963 Energy: 1.3102077688003935 Energy: 1.4212425459461127 Energy: 1.3668343833041092 Energy: 1.3102077687981064 Energy: 1.5739077165598512 Energy: 1.3102077687981064 Energy: 1.3668343832980108 Energy: 1.3102077688011557 Energy: 1.4212425459514488 Energy: 1.3668343833056338 Energy: 1.3102077688034426 Energy: 1.4987006921264563 Energy: 1.3102077688011557 Energy: 1.3668343833041092 Energy: 1.3102077687981064 Energy: 1.4212425459552605 Energy: 1.3668343833041092 Energy: 1.310207768798869 Energy: 1.2605208545872626 Energy: 1.310207768798869 Energy: 1.3668343833063963 Energy: 1.310207768798869 Energy: 1.4212425459628835 Energy: 1.3668343833041092 Energy: 1.310207768798869 Energy: 1.4212425460116356 Energy: 1.310207768798869 Energy: 1.3668343833010599 Energy: 1.3102077688011557 Energy: 1.4212425459735554 Energy: 1.3668343833048713 Energy: 1.310207768801918 Energy: 1.4918808507594348 Energy: 1.3102077688011557 Energy: 1.3668343833063963 Energy: 1.3102077687981064 Energy: 1.4212425459666949 Energy: 1.3668343833018224 Energy: 1.310207768798869 Energy: 1.4212425460291684 Energy: 1.3102077688003935 Energy: 1.3668343833063963 Energy: 1.3102077688003935 Energy: 1.4212425459872766 Energy: 1.3668343833063963 Energy: 1.3102077687981064 Energy: 1.421242546028406 Energy: 1.3102077687981064 Energy: 1.3668343833025847 Energy: 1.3102077688011557 Energy: 1.4212425459880391 Energy: 1.3668343833056338 Energy: 1.3102077688034426 Energy: 1.4212425460268814 Energy: 1.3102077688011557 Energy: 1.3668343833048713 Energy: 1.3102077687981064 Energy: 1.4212425459865141 Energy: 1.3668343833041092 Energy: 1.310207768798869 Energy: 1.4212425460367912 Energy: 1.310207768798869 Energy: 1.3668343833071581 Energy: 1.310207768798869 Energy: 1.4212425460047746 Energy: 1.3668343833056338 Energy: 1.310207768798869 Energy: 1.4212425460428895 Energy: 1.3102077687981064 Energy: 1.3668343832995353 Energy: 1.310207768801918 Energy: 1.4212425460116356 Energy: 1.3668343833025847 Energy: 1.310207768801918 Energy: 1.4212425460390778 Energy: 1.3102077688011557 Energy: 1.3668343833048713 Energy: 1.3102077687973444 Energy: 1.4212425460101108 Energy: 1.3668343833041092 Energy: 1.310207768798869 Energy: 1.4212425460573732 Energy: 1.3102077687996314 Energy: 1.3668343833048713 Energy: 1.3102077688003935 Energy: 1.4212425460230695 Energy: 1.3668343833063963 Energy: 1.3102077687981064 Energy: 1.4212425460451763 Energy: 1.3102077687981064 Energy: 1.3668343832987733 Energy: 1.3102077688011557 Energy: 1.421242546028406 Energy: 1.3668343833063963 Energy: 1.310207768804205 Energy: 1.4212425460474634 Energy: 1.310207768801918 Energy: 1.3668343833071581 Energy: 1.3102077687981064 Energy: 1.421242546020783 Energy: 1.3668343833018224 Energy: 1.310207768798869 Energy: 1.421242546064996 Energy: 1.310207768798869 Energy: 1.3668343833079206 Energy: 1.310207768798869 Energy: 1.4212425460428895 Energy: 1.3668343833063963 Energy: 1.310207768798869 Energy: 1.4212425460634714 Energy: 1.3102077687981064 Energy: 1.3668343832980108 Energy: 1.3102077688011557 Energy: 1.4212425460451763 minimum gb energy = 1.2605208545872626 eV minimum distance = 2.32205648188715 Angstroms sigma value = 23