{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.953237 0.25 ] [ 0.5 0.046763 0.75 ] [ 0 0.787417 0.25 ] [ 0 0.212583 0.75 ] [ 0.5 0.86211 0.75 ] [ 0.5 0.13789 0.25 ] [ 0 0.453237 0.25 ] [ 0 0.546763 0.75 ] [ 0.5 0.287417 0.25 ] [ 0.5 0.712583 0.75 ] [ 0 0.36211 0.75 ] [ 0 0.63789 0.25 ] [ 0 0.015448 0.25 ] [ 0 0.984552 0.75 ] [ 0 0.887887 0.25 ] [ 0 0.112113 0.75 ] [ 0 0.07904 0.25 ] [ 0 0.92096 0.75 ] [ 0.5 0.515448 0.25 ] [ 0.5 0.484552 0.75 ] [ 0.5 0.387887 0.25 ] [ 0.5 0.612113 0.75 ] [ 0.5 0.57904 0.25 ] [ 0.5 0.42096 0.75 ] [ 0.5 0.212213 0.25 ] [ 0.5 0.787787 0.75 ] [ 0 0.712213 0.25 ] [ 0 0.287787 0.75 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.28113428351 "source-unit" "angstrom" } "b" { "source-value" 28.8969178586 "source-unit" "angstrom" } "c" { "source-value" 3.14221547 "source-unit" "angstrom" } }