{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.46881 0.679542 ] [ 0.25 0.53119 0.320458 ] [ 0.75 0.96881 0.820458 ] [ 0.25 0.03119 0.179542 ] [ 0.25 0.127565 0.561364 ] [ 0.25 0.627565 0.938636 ] [ 0.75 0.372435 0.061364 ] [ 0.75 0.872435 0.438636 ] [ 0.75 0.246167 0.377886 ] [ 0.25 0.253833 0.877886 ] [ 0.25 0.753833 0.622114 ] [ 0.75 0.746167 0.122114 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.84435928 "source-unit" "angstrom" } "b" { "source-value" 6.52167553 "source-unit" "angstrom" } "c" { "source-value" 7.13797113 "source-unit" "angstrom" } }