{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0 0.231414 0.138819 ] [ 0 0.731414 0.361181 ] [ 0.5 0.190248 0.916824 ] [ 0.5 0.309752 0.416824 ] [ 0.5 0.690248 0.583176 ] [ 0.5 0.809752 0.083176 ] [ 0 0.268586 0.638819 ] [ 0 0.768586 0.861181 ] ] } "species" { "source-value" [ "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.08085531 "source-unit" "angstrom" } "b" { "source-value" 4.98434056 "source-unit" "angstrom" } "c" { "source-value" 9.6824166 "source-unit" "angstrom" } }