{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 2.8553245961666107 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324596166611e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.23976762704584 2.21525583004928 2.21382402704223 2.23191938836677 2.21341043003214 2.26811216290382 2.18334495684457 2.21490603853598 2.30963538976292 2.22386467187571 2.21452971505449 2.27711503900586 2.25657244882757 2.2251283328732 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.23976762704584e-10 2.21525583004928e-10 2.21382402704223e-10 2.23191938836677e-10 2.21341043003214e-10 2.26811216290382e-10 2.18334495684457e-10 2.21490603853598e-10 2.30963538976292e-10 2.22386467187571e-10 2.21452971505449e-10 2.27711503900586e-10 2.25657244882757e-10 2.2251283328732e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014458949889851603 1.2340751064592952 1.3140560461523676 1.2856896479709856 1.2385109798886638 1.1404416607069738 1.1140642314345826 1.1995656524948735 1.1827369829962278 1.3041894202524125 1.299263482702113 1.1207563082519376 1.2820006162375368 1.2998792503054026 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0144589498898516 1.234075106459295 1.314056046152368 1.285689647970986 1.238510979888664 1.140441660706974 1.114064231434583 1.199565652494873 1.182736982996228 1.304189420252412 1.299263482702113 1.120756308251938 1.282000616237537 1.299879250305403 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 3 75 105 165 41 185 33 219 15 293 293 15 437 33 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 23.07391806563098 34.04773236999154 38.572650822227786 44.41530859719298 52.20027756457278 62.96430821058772 69.97282751604145 78.46304096718453 88.83061719438597 91.16938280561406 101.5369590328155 110.02717248395858 117.03569178941231 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4027158415806617 0.5942450326942046 0.6732197580699728 0.7751933733103614 0.9110667139567219 1.098934489515255 1.221256227085009 1.369438406004566 1.550386746620723 1.591205906969071 1.772154247585227 1.920336426504785 2.042658164074539 ] } "tilt-axis" { "source-value" [ 1 1 2 ] } }