{ "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" [ 2.34549432539534 2.28821413588189 2.1693035283099 2.18998820644784 2.13356076446105 2.24273332013443 2.43044802766305 2.23068936115027 2.26977931602141 2.21087834623881 2.26355242843116 2.26523815920055 2.20206413630761 2.24429200412777 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.34549432539534e-10 2.28821413588189e-10 2.1693035283099e-10 2.18998820644784e-10 2.13356076446105e-10 2.24273332013443e-10 2.43044802766305e-10 2.23068936115027e-10 2.26977931602141e-10 2.21087834623881e-10 2.26355242843116e-10 2.26523815920055e-10 2.20206413630761e-10 2.24429200412777e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.4238840102088544 -5.889402679466731 -5.253545532635734 -3.504828525888421 -4.901997774698132 -6.030409116370081 -2.3911351010686555 -3.159410399163194 -1.362831878857318 -6.9978588999461815 -3.790083391552342 -3.598972230771818 -3.6630972494209564 -3.916198752436558 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.423884010208854 -5.889402679466731 -5.253545532635734 -3.504828525888421 -4.901997774698132 -6.030409116370081 -2.391135101068655 -3.159410399163194 -1.362831878857318 -6.997858899946181 -3.790083391552342 -3.598972230771818 -3.663097249420956 -3.916198752436558 ] } "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 ] } }