{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.82145 0.75 ] [ 0.5 0.17855 0.25 ] [ 0 0.32145 0.75 ] [ 0 0.67855 0.25 ] [ 0 0.92033 0.25 ] [ 0 0.07967 0.75 ] [ 0.5 0.42033 0.25 ] [ 0.5 0.57967 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.807343 0.489466 ] [ 0 0.192657 0.510534 ] [ 0.5 0.110476 0.75 ] [ 0.5 0.889524 0.25 ] [ 0 0.807343 0.010534 ] [ 0 0.192657 0.989466 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.307343 0.489466 ] [ 0.5 0.692657 0.510534 ] [ 0 0.610476 0.75 ] [ 0 0.389524 0.25 ] [ 0.5 0.307343 0.010534 ] [ 0.5 0.692657 0.989466 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Mg" "Mg" "Mg" "Mg" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.82804878 "source-unit" "angstrom" } "b" { "source-value" 15.65079452 "source-unit" "angstrom" } "c" { "source-value" 5.79968418 "source-unit" "angstrom" } }