{ "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" [ [ 0.5 0.070373 0.318348 ] [ 0.5 0.929627 0.681652 ] [ 0.5 0.429627 0.818348 ] [ 0.5 0.570373 0.181652 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0 0.136021 0.806755 ] [ 0 0.863979 0.193245 ] [ 0 0.636021 0.693245 ] [ 0 0.363979 0.306755 ] [ 0.5 0.270688 0.547928 ] [ 0.5 0.729312 0.452072 ] [ 0.5 0.229312 0.047928 ] [ 0.5 0.770688 0.952072 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "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" 3.30732929 "source-unit" "angstrom" } "b" { "source-value" 5.80308684 "source-unit" "angstrom" } "c" { "source-value" 9.84109017 "source-unit" "angstrom" } }