{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.23569 0.342618 0.579216 ] [ 0.76431 0.657382 0.079216 ] [ 0.26431 0.842618 0.920784 ] [ 0.73569 0.157382 0.420784 ] [ 0.73569 0.157382 0.079216 ] [ 0.23569 0.342618 0.920784 ] [ 0.76431 0.657382 0.420784 ] [ 0.26431 0.842618 0.579216 ] [ 0.714587 0.073492 0.75 ] [ 0.785413 0.573492 0.75 ] [ 0.214587 0.426508 0.25 ] [ 0.285413 0.926508 0.25 ] [ 0.781907 0.912779 0.891194 ] [ 0.281907 0.587221 0.108806 ] [ 0.718093 0.412779 0.608806 ] [ 0.218093 0.087221 0.391194 ] [ 0.218093 0.087221 0.108806 ] [ 0.718093 0.412779 0.891194 ] [ 0.281907 0.587221 0.391194 ] [ 0.327964 0.078896 0.75 ] [ 0.672036 0.921104 0.25 ] [ 0.172036 0.578896 0.75 ] [ 0.827964 0.421104 0.25 ] [ 0.781907 0.912779 0.608806 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Te" "Te" "Te" "Te" "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" 6.2388299 "source-unit" "angstrom" } "b" { "source-value" 8.81875106 "source-unit" "angstrom" } "c" { "source-value" 13.39413641 "source-unit" "angstrom" } }