{ "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" 3.658364850282671 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364850282671e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 2.34907951598831 2.33845003223689 2.24839360733963 2.30194747540936 2.29007771279606 2.27962498359854 2.41462831798719 2.23195062474147 2.30142105597343 2.21654068233132 2.20613675802506 2.32922553066274 2.26951095596816 2.31478785670196 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.34907951598831e-10 2.33845003223689e-10 2.24839360733963e-10 2.30194747540936e-10 2.29007771279606e-10 2.27962498359854e-10 2.41462831798719e-10 2.23195062474147e-10 2.30142105597343e-10 2.21654068233132e-10 2.20613675802506e-10 2.32922553066274e-10 2.26951095596816e-10 2.31478785670196e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.8478713831303315 -4.709881651257262 -3.9803607490669775 -2.797971361024935 -3.9395259797692184 -4.317337394965873 -3.1209275726023775 -1.8198807674581685 -1.2926483920349972 -5.362160983133175 -1.0271723413051292 0.6369969219760476 -2.477187794470069 -1.9572695290072766 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.847871383130332 -4.709881651257262 -3.980360749066977 -2.797971361024935 -3.939525979769218 -4.317337394965873 -3.120927572602378 -1.819880767458169 -1.292648392034997 -5.362160983133175 -1.027172341305129 0.6369969219760476 -2.477187794470069 -1.957269529007277 ] } "short-name" { "source-value" [ "fcc" ] } "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 ] } }