{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.871436 0.06269 ] [ 0.75 0.506049 0.124614 ] [ 0.25 0.006049 0.375386 ] [ 0.75 0.371436 0.43731 ] [ 0.25 0.628564 0.56269 ] [ 0.75 0.993951 0.624614 ] [ 0.25 0.493951 0.875386 ] [ 0.75 0.128564 0.93731 ] [ 0.25 0.284157 0.147523 ] [ 0.75 0.090038 0.225929 ] [ 0.25 0.590038 0.274071 ] [ 0.75 0.784157 0.352477 ] [ 0.25 0.215843 0.647523 ] [ 0.75 0.409962 0.725929 ] [ 0.25 0.909962 0.774071 ] [ 0.75 0.715843 0.852477 ] [ 0.25 0.515094 0.122881 ] [ 0.999516 0.156481 0.148734 ] [ 0.500484 0.156481 0.148734 ] [ 0.000484 0.656481 0.351266 ] [ 0.499516 0.656481 0.351266 ] [ 0.75 0.015094 0.377119 ] [ 0.25 0.984906 0.622881 ] [ 0.999516 0.343519 0.648734 ] [ 0.500484 0.343519 0.648734 ] [ 0.499516 0.843519 0.851266 ] [ 0.000484 0.843519 0.851266 ] [ 0.75 0.484906 0.877119 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 6.153855 "source-unit" "angstrom" } "b" { "source-value" 7.96898725 "source-unit" "angstrom" } "c" { "source-value" 11.71083648 "source-unit" "angstrom" } }