{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.659063 0.930385 ] [ 0.75 0.340937 0.069615 ] [ 0.25 0.159063 0.569615 ] [ 0.75 0.840937 0.430385 ] [ 0.75 0.516587 0.672545 ] [ 0.25 0.483413 0.327455 ] [ 0.75 0.016587 0.827455 ] [ 0.25 0.983413 0.172545 ] [ 0.25 0.522812 0.096199 ] [ 0.75 0.477188 0.903801 ] [ 0.25 0.022812 0.403801 ] [ 0.75 0.977188 0.596199 ] [ 0.25 0.748931 0.788097 ] [ 0.75 0.251069 0.211903 ] [ 0.25 0.248931 0.711903 ] [ 0.75 0.751069 0.288097 ] [ 0.25 0.693078 0.49841 ] [ 0.75 0.306922 0.50159 ] [ 0.25 0.193078 0.00159 ] [ 0.75 0.806922 0.99841 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Tl" "Tl" "Tl" "Tl" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.52349341 "source-unit" "angstrom" } "b" { "source-value" 9.42706544 "source-unit" "angstrom" } "c" { "source-value" 14.72465436 "source-unit" "angstrom" } }