{ "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 0.110638 0.25 ] [ 0 0.889362 0.75 ] [ 0.5 0.610638 0.25 ] [ 0.5 0.389362 0.75 ] [ 0.5 0.864627 0.429727 ] [ 0.5 0.864627 0.070273 ] [ 0.5 0.135373 0.570273 ] [ 0.5 0.135373 0.929727 ] [ 0 0.364627 0.429727 ] [ 0 0.364627 0.070273 ] [ 0 0.635373 0.570273 ] [ 0 0.635373 0.929727 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.933277 0.25 ] [ 0.5 0.759985 0.600642 ] [ 0.5 0.759985 0.899358 ] [ 0.5 0.066723 0.75 ] [ 0.5 0.240015 0.399358 ] [ 0.5 0.240015 0.100642 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.433277 0.25 ] [ 0 0.259985 0.600642 ] [ 0 0.259985 0.899358 ] [ 0 0.566723 0.75 ] [ 0 0.740015 0.399358 ] [ 0 0.740015 0.100642 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "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" 3.40759235 "source-unit" "angstrom" } "b" { "source-value" 11.21920658 "source-unit" "angstrom" } "c" { "source-value" 11.39981045 "source-unit" "angstrom" } }