{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.978807 0.746973 0.75 ] [ 0.478807 0.253027 0.25 ] [ 0.521193 0.746973 0.75 ] [ 0.021193 0.253027 0.25 ] [ 0.75 0.894355 0.897505 ] [ 0.25 0.105645 0.102495 ] [ 0.75 0.894355 0.602495 ] [ 0.25 0.105645 0.397505 ] [ 0.25 0.54899 0.25 ] [ 0.75 0.45101 0.75 ] [ 0.75 0.972506 0.25 ] [ 0.25 0.027494 0.75 ] [ 0.25 0.60734 0.610472 ] [ 0.75 0.39266 0.389528 ] [ 0.25 0.60734 0.889528 ] [ 0.75 0.39266 0.110472 ] ] } "species" { "source-value" [ "Mo" "Mo" "Mo" "Mo" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.11947775 "source-unit" "angstrom" } "b" { "source-value" 7.28604512 "source-unit" "angstrom" } "c" { "source-value" 12.68026568 "source-unit" "angstrom" } }