{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.653692 0.621688 ] [ 0.25 0.153692 0.878312 ] [ 0.75 0.846308 0.121688 ] [ 0.25 0.346308 0.378312 ] [ 0.75 0.559194 0.873619 ] [ 0.25 0.059194 0.626381 ] [ 0.25 0.440806 0.126381 ] [ 0.75 0.940806 0.373619 ] [ 0.25 0.18864 0.177525 ] [ 0.75 0.68864 0.322475 ] [ 0.25 0.31136 0.677525 ] [ 0.75 0.81136 0.822475 ] [ 0.75 0.126426 0.408875 ] [ 0.25 0.873574 0.591125 ] [ 0.75 0.373574 0.908875 ] [ 0.25 0.626426 0.091125 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.11697304 "source-unit" "angstrom" } "b" { "source-value" 5.7936652 "source-unit" "angstrom" } "c" { "source-value" 14.35043612 "source-unit" "angstrom" } }