{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.25 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.954069 0.178878 0.369681 ] [ 0.954069 0.321122 0.130319 ] [ 0.545931 0.178878 0.630319 ] [ 0.545931 0.321122 0.869681 ] [ 0.545931 0.321122 0.130319 ] [ 0.545931 0.178878 0.369681 ] [ 0.954069 0.321122 0.869681 ] [ 0.954069 0.178878 0.630319 ] [ 0.25 0.090893 0.5 ] [ 0.25 0.409107 0 ] [ 0.75 0.030613 0.164217 ] [ 0.75 0.469387 0.335783 ] [ 0.25 0.530613 0.335783 ] [ 0.25 0.969387 0.164217 ] [ 0.454069 0.678878 0.869681 ] [ 0.454069 0.821122 0.630319 ] [ 0.045931 0.678878 0.130319 ] [ 0.045931 0.821122 0.369681 ] [ 0.045931 0.821122 0.630319 ] [ 0.045931 0.678878 0.869681 ] [ 0.454069 0.821122 0.369681 ] [ 0.454069 0.678878 0.130319 ] [ 0.75 0.590893 0 ] [ 0.75 0.909107 0.5 ] [ 0.25 0.530613 0.664217 ] [ 0.25 0.969387 0.835783 ] [ 0.75 0.030613 0.835783 ] [ 0.75 0.469387 0.664217 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.41682210326 "source-unit" "angstrom" } "b" { "source-value" 7.68934374184 "source-unit" "angstrom" } "c" { "source-value" 10.3884559254 "source-unit" "angstrom" } }