{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.265498 ] [ 0 0 0.734502 ] [ 0.5 0.5 0.265498 ] [ 0.5 0.5 0.734502 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.668754 0.249483 ] [ 0 0.668754 0.750517 ] [ 0.5 0 0.5 ] [ 0 0.331246 0.249483 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0.331246 0.750517 ] [ 0.75 0.25 0 ] [ 0.5 0.168754 0.249483 ] [ 0.5 0.168754 0.750517 ] [ 0 0.5 0.5 ] [ 0.5 0.831246 0.249483 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0.831246 0.750517 ] [ 0.25 0.75 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Al" "Al" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.0478669491 "source-unit" "angstrom" } "b" { "source-value" 8.5988701971 "source-unit" "angstrom" } "c" { "source-value" 8.03450301 "source-unit" "angstrom" } }