{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0.222275 0.900078 0.056107 ] [ 0.777725 0.900078 0.556107 ] [ 0.722275 0.599922 0.056107 ] [ 0.277725 0.599922 0.556107 ] [ 0.722275 0.400078 0.443893 ] [ 0.277725 0.400078 0.943893 ] [ 0.222275 0.099922 0.443893 ] [ 0.777725 0.099922 0.943893 ] [ 0.695191 0.8999 0.345325 ] [ 0.304809 0.8999 0.845325 ] [ 0.804809 0.6001 0.845325 ] [ 0.195191 0.6001 0.345325 ] [ 0.804809 0.3999 0.654675 ] [ 0.195191 0.3999 0.154675 ] [ 0.695191 0.1001 0.154675 ] [ 0.304809 0.1001 0.654675 ] [ 0.796679 0 0.25 ] [ 0.203321 0 0.75 ] [ 0.763882 0.944377 0.072389 ] [ 0.236118 0.944377 0.572389 ] [ 0.347911 0.845842 0.351783 ] [ 0.652089 0.845842 0.851783 ] [ 0.847911 0.654158 0.351783 ] [ 0.152089 0.654158 0.851783 ] [ 0.263882 0.555623 0.072389 ] [ 0.736118 0.555623 0.572389 ] [ 0.296679 0.5 0.25 ] [ 0.703321 0.5 0.75 ] [ 0.263882 0.444377 0.427611 ] [ 0.736118 0.444377 0.927611 ] [ 0.847911 0.345842 0.148217 ] [ 0.152089 0.345842 0.648217 ] [ 0.347911 0.154158 0.148217 ] [ 0.652089 0.154158 0.648217 ] [ 0.763882 0.055623 0.427611 ] [ 0.236118 0.055623 0.927611 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 5.08702708 "source-unit" "angstrom" } "b" { "source-value" 6.61246237 "source-unit" "angstrom" } "c" { "source-value" 16.30858044 "source-unit" "angstrom" } }