{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25 0.648979 ] [ 0.5 0.25 0.851021 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.75 0.148979 ] [ 0 0.75 0.351021 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.75 0.75 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.25 ] [ 0.724017 0.75 0.488156 ] [ 0.5 0.526195 0.715688 ] [ 0.275983 0.75 0.488156 ] [ 0 0.526195 0.784312 ] [ 0.5 0.973805 0.715688 ] [ 0 0.973805 0.784312 ] [ 0.724017 0.25 0.511844 ] [ 0.275983 0.25 0.511844 ] [ 0.224017 0.25 0.988156 ] [ 0 0.026195 0.215688 ] [ 0.775983 0.25 0.988156 ] [ 0.5 0.026195 0.284312 ] [ 0 0.473805 0.215688 ] [ 0.5 0.473805 0.284312 ] [ 0.224017 0.75 0.011844 ] [ 0.775983 0.75 0.011844 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "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" 5.80984048745 "source-unit" "angstrom" } "b" { "source-value" 5.91693182774 "source-unit" "angstrom" } "c" { "source-value" 9.2031656648 "source-unit" "angstrom" } }