{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.022696 0.329998 ] [ 0.75 0.977304 0.670002 ] [ 0.75 0.522696 0.170002 ] [ 0.25 0.477304 0.829998 ] [ 0.25 0.35104 0.151723 ] [ 0.75 0.64896 0.848277 ] [ 0.75 0.85104 0.348277 ] [ 0.25 0.14896 0.651723 ] [ 0.25 0.547025 0.371089 ] [ 0.75 0.452975 0.628911 ] [ 0.75 0.047025 0.128911 ] [ 0.25 0.952975 0.871089 ] [ 0.25 0.731839 0.581107 ] [ 0.75 0.268161 0.418893 ] [ 0.75 0.231839 0.918893 ] [ 0.25 0.768161 0.081107 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.66472316 "source-unit" "angstrom" } "b" { "source-value" 9.90564652 "source-unit" "angstrom" } "c" { "source-value" 10.60547363 "source-unit" "angstrom" } }