{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.017725 0.921573 0.75 ] [ 0.517725 0.578427 0.25 ] [ 0.482275 0.421573 0.75 ] [ 0.982275 0.078427 0.25 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.706926 0.32153 0.448576 ] [ 0.206926 0.17847 0.551424 ] [ 0.793074 0.82153 0.051424 ] [ 0.293074 0.67847 0.948576 ] [ 0.293074 0.67847 0.551424 ] [ 0.793074 0.82153 0.448576 ] [ 0.206926 0.17847 0.948576 ] [ 0.706926 0.32153 0.051424 ] [ 0.10576 0.466835 0.25 ] [ 0.60576 0.033165 0.75 ] [ 0.89424 0.533165 0.75 ] [ 0.39424 0.966835 0.25 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Mn" "Mn" "Mn" "Mn" "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" 5.41926962 "source-unit" "angstrom" } "b" { "source-value" 5.92897164 "source-unit" "angstrom" } "c" { "source-value" 7.59258344 "source-unit" "angstrom" } }