{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.107822 0.27807 ] [ 0.25 0.137562 0.942388 ] [ 0.75 0.362438 0.442388 ] [ 0.75 0.392178 0.77807 ] [ 0.25 0.607822 0.22193 ] [ 0.25 0.637562 0.557612 ] [ 0.75 0.862438 0.057612 ] [ 0.75 0.892178 0.72193 ] [ 0.25 0.181358 0.621592 ] [ 0.75 0.318642 0.121592 ] [ 0.25 0.681358 0.878408 ] [ 0.75 0.818642 0.378408 ] [ 0.75 0.008405 0.897451 ] [ 0.25 0.017344 0.661203 ] [ 0.25 0.223896 0.457583 ] [ 0.75 0.235543 0.617588 ] [ 0.75 0.236931 0.271791 ] [ 0.25 0.263069 0.771791 ] [ 0.25 0.264457 0.117588 ] [ 0.75 0.276104 0.957583 ] [ 0.75 0.482656 0.161203 ] [ 0.25 0.491595 0.397451 ] [ 0.75 0.508405 0.602549 ] [ 0.25 0.517344 0.838797 ] [ 0.25 0.723896 0.042417 ] [ 0.75 0.735543 0.882412 ] [ 0.75 0.736931 0.228209 ] [ 0.25 0.763069 0.728209 ] [ 0.25 0.764457 0.382412 ] [ 0.75 0.776104 0.542417 ] [ 0.75 0.982656 0.338797 ] [ 0.25 0.991595 0.102549 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ti" "Ti" "Ti" "Ti" "O" "O" "O" "O" "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" 3.84674357 "source-unit" "angstrom" } "b" { "source-value" 10.77342725 "source-unit" "angstrom" } "c" { "source-value" 11.54250755 "source-unit" "angstrom" } }