{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.349257 0.071897 ] [ 0.5 0.650743 0.928103 ] [ 0.5 0.349257 0.928103 ] [ 0.5 0.650743 0.071897 ] [ 0.5 0.5 0.198254 ] [ 0.5 0.5 0.801746 ] [ 0 0.849257 0.571897 ] [ 0 0.150743 0.428103 ] [ 0 0.849257 0.428103 ] [ 0 0.150743 0.571897 ] [ 0 0 0.698254 ] [ 0 0 0.301746 ] [ 0 0.288387 0.168426 ] [ 0 0.711613 0.831574 ] [ 0 0.288387 0.831574 ] [ 0 0.711613 0.168426 ] [ 0 0.200665 0 ] [ 0 0.799335 0 ] [ 0.5 0 0.803024 ] [ 0.5 0 0.196976 ] [ 0.5 0.788387 0.668426 ] [ 0.5 0.211613 0.331574 ] [ 0.5 0.788387 0.331574 ] [ 0.5 0.211613 0.668426 ] [ 0.5 0.700665 0.5 ] [ 0.5 0.299335 0.5 ] [ 0 0.5 0.303024 ] [ 0 0.5 0.696976 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.4986084 "source-unit" "angstrom" } "b" { "source-value" 8.71564728 "source-unit" "angstrom" } "c" { "source-value" 16.85864574 "source-unit" "angstrom" } }