{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.382528 ] [ 0.25 0 0.617472 ] [ 0.5 0 0 ] [ 0 0 0 ] [ 0.25 0.5 0.882528 ] [ 0.75 0.5 0.117472 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.021539 0 0.763384 ] [ 0.478461 0 0.763384 ] [ 0.25 0.275264 0.511479 ] [ 0.75 0.275264 0.488521 ] [ 0.521539 0 0.236616 ] [ 0.978461 0 0.236616 ] [ 0.25 0.724736 0.511479 ] [ 0.75 0.724736 0.488521 ] [ 0.521539 0.5 0.263384 ] [ 0.978461 0.5 0.263384 ] [ 0.75 0.775264 0.011479 ] [ 0.25 0.775264 0.988521 ] [ 0.021539 0.5 0.736616 ] [ 0.478461 0.5 0.736616 ] [ 0.75 0.224736 0.011479 ] [ 0.25 0.224736 0.988521 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Sn" "Sn" "Sn" "Sn" "S" "S" "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" 6.95147543 "source-unit" "angstrom" } "b" { "source-value" 7.09823514 "source-unit" "angstrom" } "c" { "source-value" 9.8647877 "source-unit" "angstrom" } }