{ "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" [ [ 0.75 0.485222 0.315432 ] [ 0.25 0.014778 0.815432 ] [ 0.75 0.985222 0.184568 ] [ 0.25 0.514778 0.684568 ] [ 0.25 0.644816 0.072726 ] [ 0.25 0.144816 0.427274 ] [ 0.75 0.355184 0.927274 ] [ 0.75 0.855184 0.572726 ] [ 0.25 0.776953 0.391785 ] [ 0.25 0.276953 0.108215 ] [ 0.75 0.723047 0.891785 ] [ 0.75 0.223047 0.608215 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Na" "Na" "Na" "Na" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.15114618 "source-unit" "angstrom" } "b" { "source-value" 8.64682535 "source-unit" "angstrom" } "c" { "source-value" 9.38933989 "source-unit" "angstrom" } }