{ "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" 2.8599988371133813 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.859998837113382e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.4043203385683 2.36658148883259 2.38106443442241 2.35976474215644 2.3578300383045 2.37372541331193 2.3785853827084 2.4085537759561 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4043203385683e-10 2.36658148883259e-10 2.38106443442241e-10 2.35976474215644e-10 2.3578300383045e-10 2.37372541331193e-10 2.3785853827084e-10 2.408553775956101e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -5.441326653338684 -7.809188316153815 -6.880450857649536 -3.7154177734689324 -5.156899284398833 -4.038067140344591 -7.700962788853226 -5.110413463048027 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -5.441326653338684 -7.809188316153815 -6.880450857649536 -3.715417773468932 -5.156899284398833 -4.038067140344591 -7.700962788853226 -5.110413463048027 ] } "short-name" { "source-value" [ "bcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }