{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.75 0.119132 ] [ 0 0.75 0.380868 ] [ 0 0.25 0.619132 ] [ 0.5 0.25 0.880868 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.27143 0.25 0.481422 ] [ 0.5 0.46771 0.255914 ] [ 0.5 0.03229 0.255914 ] [ 0.72857 0.25 0.481422 ] [ 0.77143 0.25 0.018578 ] [ 0 0.03229 0.244086 ] [ 0 0.46771 0.244086 ] [ 0.22857 0.25 0.018578 ] [ 0.77143 0.75 0.981422 ] [ 0 0.96771 0.755914 ] [ 0 0.53229 0.755914 ] [ 0.22857 0.75 0.981422 ] [ 0.27143 0.75 0.518578 ] [ 0.5 0.53229 0.744086 ] [ 0.5 0.96771 0.744086 ] [ 0.72857 0.75 0.518578 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.9211687 "source-unit" "angstrom" } "b" { "source-value" 5.99617944 "source-unit" "angstrom" } "c" { "source-value" 8.53941263 "source-unit" "angstrom" } }