{ "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 0.795297 0.75 ] [ 0 0.204703 0.25 ] [ 0.5 0.295297 0.75 ] [ 0.5 0.704703 0.25 ] [ 0 0.861361 0.438843 ] [ 0 0.861361 0.061157 ] [ 0 0.138639 0.938843 ] [ 0 0.138639 0.561157 ] [ 0.5 0.361361 0.438843 ] [ 0.5 0.361361 0.061157 ] [ 0.5 0.638639 0.938843 ] [ 0.5 0.638639 0.561157 ] [ 0 0.953259 0.885337 ] [ 0 0.953259 0.614663 ] [ 0.5 0.190478 0.94341 ] [ 0.5 0.190478 0.55659 ] [ 0 0.21521 0.75 ] [ 0 0.78479 0.25 ] [ 0.5 0.809522 0.44341 ] [ 0 0.046741 0.385337 ] [ 0.5 0.809522 0.05659 ] [ 0 0.046741 0.114663 ] [ 0.5 0.453259 0.885337 ] [ 0.5 0.453259 0.614663 ] [ 0 0.690478 0.94341 ] [ 0 0.690478 0.55659 ] [ 0.5 0.71521 0.75 ] [ 0.5 0.28479 0.25 ] [ 0 0.309522 0.44341 ] [ 0.5 0.546741 0.385337 ] [ 0 0.309522 0.05659 ] [ 0.5 0.546741 0.114663 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 3.9186198 "source-unit" "angstrom" } "b" { "source-value" 9.75307808 "source-unit" "angstrom" } "c" { "source-value" 9.7559365 "source-unit" "angstrom" } }