{ "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" [ [ 0.75 0.749687 0.442965 ] [ 0.25 0.250313 0.557035 ] [ 0.75 0.249687 0.057035 ] [ 0.25 0.750313 0.942965 ] [ 0.498325 0.928206 0.686918 ] [ 0.998325 0.071794 0.313082 ] [ 0.001675 0.428206 0.813082 ] [ 0.501675 0.571794 0.186918 ] [ 0.501675 0.071794 0.313082 ] [ 0.001675 0.928206 0.686918 ] [ 0.998325 0.571794 0.186918 ] [ 0.498325 0.428206 0.813082 ] [ 0.75 0.932657 0.894411 ] [ 0.25 0.067343 0.105589 ] [ 0.75 0.432657 0.605589 ] [ 0.25 0.567343 0.394411 ] [ 0.75 0.67998 0.75517 ] [ 0.25 0.32002 0.24483 ] [ 0.75 0.17998 0.74483 ] [ 0.25 0.82002 0.25517 ] [ 0.75 0.580693 0.981717 ] [ 0.25 0.419307 0.018283 ] [ 0.75 0.080693 0.518283 ] [ 0.25 0.919307 0.481717 ] [ 0.75 0.864519 0.141262 ] [ 0.25 0.135481 0.858738 ] [ 0.75 0.364519 0.358738 ] [ 0.25 0.635481 0.641262 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.10382731 "source-unit" "angstrom" } "b" { "source-value" 8.35653418 "source-unit" "angstrom" } "c" { "source-value" 10.60911095 "source-unit" "angstrom" } }