{ "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 0.505986 0.326522 ] [ 0.75 0.494014 0.673478 ] [ 0.25 0.005986 0.173478 ] [ 0.75 0.994014 0.826522 ] [ 0.25 0.289726 0.886626 ] [ 0.75 0.710274 0.113374 ] [ 0.25 0.789726 0.613374 ] [ 0.75 0.210274 0.386626 ] [ 0.75 0.839486 0.430307 ] [ 0.25 0.160514 0.569693 ] [ 0.75 0.339486 0.069693 ] [ 0.25 0.660514 0.930307 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Si" "Si" "Si" "Si" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.18652701 "source-unit" "angstrom" } "b" { "source-value" 7.06619013 "source-unit" "angstrom" } "c" { "source-value" 7.5162396 "source-unit" "angstrom" } }