{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.984551 0.306867 0.899357 ] [ 0.484551 0.693133 0.600643 ] [ 0.515449 0.806867 0.100643 ] [ 0.015449 0.193133 0.399357 ] [ 0.015449 0.693133 0.100643 ] [ 0.515449 0.306867 0.399357 ] [ 0.484551 0.193133 0.899357 ] [ 0.984551 0.806867 0.600643 ] [ 0.826105 0.443421 0.614525 ] [ 0.326105 0.556579 0.885475 ] [ 0.673895 0.943421 0.385475 ] [ 0.173895 0.056579 0.114525 ] [ 0.173895 0.556579 0.385475 ] [ 0.673895 0.443421 0.114525 ] [ 0.326105 0.056579 0.614525 ] [ 0.826105 0.943421 0.885475 ] ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "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" 4.87562697 "source-unit" "angstrom" } "b" { "source-value" 6.03080781 "source-unit" "angstrom" } "c" { "source-value" 6.91711136 "source-unit" "angstrom" } }