{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0.856529 0.5 0.25 ] [ 0.143471 0.5 0.75 ] [ 0.356529 0 0.25 ] [ 0.643471 0 0.75 ] [ 0.754434 0.873768 0.00546 ] [ 0.245566 0.873768 0.50546 ] [ 0.254434 0.626232 0.00546 ] [ 0.745566 0.626232 0.50546 ] [ 0.745566 0.373768 0.99454 ] [ 0.254434 0.373768 0.49454 ] [ 0.754434 0.126232 0.49454 ] [ 0.245566 0.126232 0.99454 ] [ 0.575036 0.873109 0.405769 ] [ 0.090068 0.879506 0.100599 ] [ 0.424964 0.873109 0.905769 ] [ 0.909932 0.879506 0.600599 ] [ 0.590068 0.620494 0.100599 ] [ 0.075036 0.626891 0.405769 ] [ 0.924964 0.626891 0.905769 ] [ 0.409932 0.620494 0.600599 ] [ 0.409932 0.379506 0.899401 ] [ 0.924964 0.373109 0.594231 ] [ 0.590068 0.379506 0.399401 ] [ 0.075036 0.373109 0.094231 ] [ 0.424964 0.126891 0.594231 ] [ 0.090068 0.120494 0.399401 ] [ 0.575036 0.126891 0.094231 ] [ 0.909932 0.120494 0.899401 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.84895486 "source-unit" "angstrom" } "b" { "source-value" 5.65150728 "source-unit" "angstrom" } "c" { "source-value" 10.13498802 "source-unit" "angstrom" } }