{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.247823 0.752177 0.130995 ] [ 0.752177 0.247823 0.130995 ] [ 0.747823 0.747823 0.369005 ] [ 0.252177 0.252177 0.369005 ] [ 0.747823 0.252177 0.630995 ] [ 0.252177 0.747823 0.630995 ] [ 0.247823 0.247823 0.869005 ] [ 0.752177 0.752177 0.869005 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86512542534 "source-unit" "angstrom" } "c" { "source-value" 10.4692342974 "source-unit" "angstrom" } }