{ "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" [ [ 0.25 0.498723 0.888249 ] [ 0.75 0.501277 0.111751 ] [ 0.25 0.998723 0.611751 ] [ 0.75 0.001277 0.388249 ] [ 0.25 0.633777 0.363987 ] [ 0.75 0.366223 0.636013 ] [ 0.25 0.133777 0.136013 ] [ 0.75 0.866223 0.863987 ] [ 0.75 0.769348 0.567972 ] [ 0.25 0.230652 0.432028 ] [ 0.75 0.269348 0.932028 ] [ 0.25 0.730652 0.067972 ] [ 0.75 0.333972 0.32569 ] [ 0.25 0.666028 0.67431 ] [ 0.75 0.833972 0.17431 ] [ 0.25 0.166028 0.82569 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.80565135 "source-unit" "angstrom" } "b" { "source-value" 7.94636139 "source-unit" "angstrom" } "c" { "source-value" 10.65054171 "source-unit" "angstrom" } }