{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.71002 0.322858 0.700487 ] [ 0.71002 0.322858 0.299513 ] [ 0.21002 0.677142 0.200487 ] [ 0.21002 0.677142 0.799513 ] [ 0.653042 0.95491 0 ] [ 0.153042 0.04509 0.5 ] [ 0.984752 0.072782 0.640783 ] [ 0.323403 0.591083 0 ] [ 0.525531 0.571316 0.711958 ] [ 0.984752 0.072782 0.359217 ] [ 0.823403 0.408917 0.5 ] [ 0.525531 0.571316 0.288042 ] [ 0.25646 0.854676 0.5 ] [ 0.374488 0.186761 0.5 ] [ 0.75646 0.145324 0 ] [ 0.025531 0.428684 0.211958 ] [ 0.484752 0.927218 0.859217 ] [ 0.484752 0.927218 0.140783 ] [ 0.025531 0.428684 0.788042 ] [ 0.874488 0.813239 0 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.97708695 "source-unit" "angstrom" } "b" { "source-value" 7.21698147 "source-unit" "angstrom" } "c" { "source-value" 8.79686161 "source-unit" "angstrom" } }