{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.712931 0.115048 0.25 ] [ 0.287069 0.884952 0.75 ] [ 0 0.108592 0.75 ] [ 0 0.891408 0.25 ] [ 0.712931 0.884952 0.75 ] [ 0.287069 0.115048 0.25 ] [ 0.212931 0.615048 0.25 ] [ 0.787069 0.384952 0.75 ] [ 0.5 0.608592 0.75 ] [ 0.5 0.391408 0.25 ] [ 0.212931 0.384952 0.75 ] [ 0.787069 0.615048 0.25 ] [ 0 0.697535 0.75 ] [ 0 0.302465 0.25 ] [ 0.5 0.197535 0.75 ] [ 0.5 0.802465 0.25 ] [ 0.692954 0.876244 0.25 ] [ 0.307046 0.123756 0.75 ] [ 0 0.127054 0.25 ] [ 0 0.872946 0.75 ] [ 0.307046 0.876244 0.25 ] [ 0.692954 0.123756 0.75 ] [ 0.192954 0.376244 0.25 ] [ 0.807046 0.623756 0.75 ] [ 0.5 0.627054 0.25 ] [ 0.5 0.372946 0.75 ] [ 0.807046 0.376244 0.25 ] [ 0.192954 0.623756 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "V" "V" "V" "V" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.53228738 "source-unit" "angstrom" } "b" { "source-value" 10.41212705 "source-unit" "angstrom" } "c" { "source-value" 5.08656629 "source-unit" "angstrom" } }