{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.818699 0.25 ] [ 0 0.181301 0.75 ] [ 0.5 0.318699 0.25 ] [ 0.5 0.681301 0.75 ] [ 0.18085 0.804362 0.085631 ] [ 0.18085 0.195638 0.585631 ] [ 0.243426 0.563407 0.320998 ] [ 0.243426 0.436593 0.820998 ] [ 0.256574 0.063407 0.320998 ] [ 0.256574 0.936593 0.820998 ] [ 0.31915 0.304362 0.085631 ] [ 0.31915 0.695638 0.585631 ] [ 0.68085 0.304362 0.414369 ] [ 0.68085 0.695638 0.914369 ] [ 0.743426 0.063407 0.179002 ] [ 0.743426 0.936593 0.679002 ] [ 0.756574 0.563407 0.179002 ] [ 0.756574 0.436593 0.679002 ] [ 0.81915 0.195638 0.914369 ] [ 0.81915 0.804362 0.414369 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.69082158 "source-unit" "angstrom" } "b" { "source-value" 5.53447441 "source-unit" "angstrom" } "c" { "source-value" 10.07058112 "source-unit" "angstrom" } }