{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.4678 0.171922 0.445678 ] [ 0.4678 0.828078 0.554322 ] [ 0.4678 0.171922 0.054322 ] [ 0.4678 0.828078 0.945678 ] [ 0.9678 0.671922 0.445678 ] [ 0.9678 0.328078 0.554322 ] [ 0.9678 0.671922 0.054322 ] [ 0.9678 0.328078 0.945678 ] [ 0.999786 0.030213 0.25 ] [ 0.999786 0.969787 0.75 ] [ 0.499786 0.530213 0.25 ] [ 0.499786 0.469787 0.75 ] [ 0.351876 0.186285 0.25 ] [ 0.351876 0.813715 0.75 ] [ 0.358264 0 0.5 ] [ 0.358264 0 0 ] [ 0.809737 0.191251 0.445697 ] [ 0.809737 0.808749 0.554303 ] [ 0.809737 0.808749 0.945697 ] [ 0.809737 0.191251 0.054303 ] [ 0.851876 0.686285 0.25 ] [ 0.851876 0.313715 0.75 ] [ 0.858264 0.5 0.5 ] [ 0.858264 0.5 0 ] [ 0.309737 0.691251 0.445697 ] [ 0.309737 0.308749 0.554303 ] [ 0.309737 0.308749 0.945697 ] [ 0.309737 0.691251 0.054303 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.15820464 "source-unit" "angstrom" } "b" { "source-value" 9.32473084 "source-unit" "angstrom" } "c" { "source-value" 8.56974882 "source-unit" "angstrom" } }