{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmma" } "basis-atom-coordinates" { "source-value" [ [ 0.50066 0 0.115218 ] [ 0.49934 0 0.615218 ] [ 0.49934 0 0.884782 ] [ 0.50066 0 0.384782 ] [ 0.262507 0.269631 0.25 ] [ 0.737493 0.730369 0.75 ] [ 0.737493 0.269631 0.75 ] [ 0.262507 0.730369 0.25 ] [ 0.881628 0 0.25 ] [ 0.118372 0 0.75 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.381702 0.19274 0.153672 ] [ 0.618298 0.80726 0.653672 ] [ 0.618298 0.19274 0.846328 ] [ 0.381702 0.80726 0.346328 ] [ 0.618298 0.80726 0.846328 ] [ 0.381702 0.19274 0.346328 ] [ 0.381702 0.80726 0.153672 ] [ 0.618298 0.19274 0.653672 ] [ 0.738905 0 0.153549 ] [ 0.261095 0 0.653549 ] [ 0.261095 0 0.846451 ] [ 0.738905 0 0.346451 ] [ 0.261694 0.5 0.25 ] [ 0.738306 0.5 0.75 ] [ 0.024383 0.192733 0.25 ] [ 0.975617 0.807267 0.75 ] [ 0.975617 0.192733 0.75 ] [ 0.024383 0.807267 0.25 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 6.4726687 "source-unit" "angstrom" } "b" { "source-value" 6.95973138 "source-unit" "angstrom" } "c" { "source-value" 13.91974051 "source-unit" "angstrom" } }