{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.327244 ] [ 0 0 0.672756 ] [ 0.5 0.5 0.169516 ] [ 0.5 0.5 0.830484 ] [ 0 0 0.110854 ] [ 0 0 0.889146 ] [ 0.5 0.5 0.386967 ] [ 0.5 0.5 0.613033 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.212531 ] [ 0 0 0.787469 ] [ 0.5 0.5 0.284257 ] [ 0.5 0.5 0.715743 ] [ 0 0.5 0.088625 ] [ 0 0.5 0.911375 ] [ 0.5 0 0.087775 ] [ 0.5 0 0.912225 ] [ 0.5 0 0.401698 ] [ 0.5 0 0.598302 ] [ 0 0.5 0.411464 ] [ 0 0.5 0.588536 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.9664132 "source-unit" "angstrom" } "b" { "source-value" 5.04209638 "source-unit" "angstrom" } "c" { "source-value" 23.47872845 "source-unit" "angstrom" } }