{ "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" [ [ 0.475011 0.08013 0.25 ] [ 0.975011 0.41987 0.75 ] [ 0.024989 0.58013 0.25 ] [ 0.524989 0.91987 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.401723 0.519885 0.75 ] [ 0.901723 0.980115 0.25 ] [ 0.098277 0.019885 0.75 ] [ 0.598277 0.480115 0.25 ] [ 0.192293 0.303219 0.050523 ] [ 0.692293 0.196781 0.949477 ] [ 0.307707 0.803219 0.449477 ] [ 0.807707 0.696781 0.550523 ] [ 0.192293 0.303219 0.449477 ] [ 0.692293 0.196781 0.550523 ] [ 0.307707 0.803219 0.050523 ] [ 0.807707 0.696781 0.949477 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Zr" "Zr" "Zr" "Zr" "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" 6.79215614 "source-unit" "angstrom" } "b" { "source-value" 7.18420317 "source-unit" "angstrom" } "c" { "source-value" 9.84614163 "source-unit" "angstrom" } }