{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.276195 0.860792 0.25 ] [ 0.723805 0.139208 0.75 ] [ 0.276195 0.639208 0.75 ] [ 0.723805 0.360792 0.25 ] [ 0.241214 0.382917 0.925669 ] [ 0.758786 0.882917 0.574331 ] [ 0.241214 0.117083 0.074331 ] [ 0.241214 0.117083 0.425669 ] [ 0.758786 0.617083 0.074331 ] [ 0.758786 0.617083 0.425669 ] [ 0.758786 0.882917 0.925669 ] [ 0.241214 0.382917 0.574331 ] [ 0.745442 0.522495 0.884714 ] [ 0.254558 0.022495 0.615286 ] [ 0.259393 0.75 0 ] [ 0.254558 0.477505 0.384714 ] [ 0.745442 0.977505 0.384714 ] [ 0.772702 0.78706 0.75 ] [ 0.227298 0.21294 0.25 ] [ 0.745442 0.977505 0.115286 ] [ 0.740607 0.25 0 ] [ 0.254558 0.477505 0.115286 ] [ 0.259393 0.75 0.5 ] [ 0.254558 0.022495 0.884714 ] [ 0.227298 0.28706 0.75 ] [ 0.740607 0.25 0.5 ] [ 0.745442 0.522495 0.615286 ] [ 0.772702 0.71294 0.25 ] ] } "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.9268188113 "source-unit" "angstrom" } "b" { "source-value" 9.72965872002 "source-unit" "angstrom" } "c" { "source-value" 9.91801592185 "source-unit" "angstrom" } }