{ "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 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.638875 0.75 ] [ 0 0.361125 0.25 ] [ 0.5 0.138875 0.75 ] [ 0.5 0.861125 0.25 ] [ 0.274127 0.964683 0.25 ] [ 0.274127 0.035317 0.75 ] [ 0 0.74022 0.562953 ] [ 0 0.25978 0.062953 ] [ 0 0.25978 0.437047 ] [ 0 0.74022 0.937047 ] [ 0.725873 0.964683 0.25 ] [ 0.725873 0.035317 0.75 ] [ 0.774127 0.464683 0.25 ] [ 0.774127 0.535317 0.75 ] [ 0.5 0.24022 0.562953 ] [ 0.5 0.75978 0.062953 ] [ 0.5 0.75978 0.437047 ] [ 0.5 0.24022 0.937047 ] [ 0.225873 0.464683 0.25 ] [ 0.225873 0.535317 0.75 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Mn" "Mn" "Mn" "Mn" "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" 5.8864857 "source-unit" "angstrom" } "b" { "source-value" 9.0668244 "source-unit" "angstrom" } "c" { "source-value" 7.04613122 "source-unit" "angstrom" } }