{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.739349 0.389699 ] [ 0.75 0.260651 0.610301 ] [ 0.25 0.239349 0.110301 ] [ 0.75 0.760651 0.889699 ] [ 0.25 0.474145 0.822927 ] [ 0.75 0.525855 0.177073 ] [ 0.25 0.974145 0.677073 ] [ 0.75 0.025855 0.322927 ] [ 0.75 0.644407 0.572457 ] [ 0.25 0.355593 0.427543 ] [ 0.75 0.144407 0.927543 ] [ 0.25 0.855593 0.072457 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.57168068 "source-unit" "angstrom" } "b" { "source-value" 5.90137342 "source-unit" "angstrom" } "c" { "source-value" 6.77097118 "source-unit" "angstrom" } }