{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.881778 ] [ 0.5 0 0.118222 ] [ 0 0.5 0.381778 ] [ 0 0.5 0.618222 ] [ 0.5 0.5 0.209481 ] [ 0.5 0.5 0.790519 ] [ 0 0 0.709481 ] [ 0 0 0.290519 ] [ 0 0.74886 0 ] [ 0 0.25114 0 ] [ 0.5 0.24886 0.5 ] [ 0.5 0.75114 0.5 ] ] } "species" { "source-value" [ "Ti" "Ti" "Ti" "Ti" "Te" "Te" "Te" "Te" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.59860620448 "source-unit" "angstrom" } "b" { "source-value" 5.30343942773 "source-unit" "angstrom" } "c" { "source-value" 12.8726609122 "source-unit" "angstrom" } }