{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.543141 0 0.75 ] [ 0.456859 0 0.25 ] [ 0.043141 0.5 0.75 ] [ 0.956859 0.5 0.25 ] [ 0.21374 0.817541 0.75 ] [ 0.78626 0.182459 0.25 ] [ 0 0.326664 0 ] [ 0 0.673336 0.5 ] [ 0 0.673336 0 ] [ 0 0.326664 0.5 ] [ 0.140228 0 0.100423 ] [ 0.859772 0 0.600423 ] [ 0.140228 0 0.399577 ] [ 0.859772 0 0.899577 ] [ 0.78626 0.817541 0.25 ] [ 0.21374 0.182459 0.75 ] [ 0.71374 0.317541 0.75 ] [ 0.28626 0.682459 0.25 ] [ 0.5 0.826664 0 ] [ 0.5 0.173336 0.5 ] [ 0.5 0.173336 0 ] [ 0.5 0.826664 0.5 ] [ 0.640228 0.5 0.100423 ] [ 0.359772 0.5 0.600423 ] [ 0.640228 0.5 0.399577 ] [ 0.359772 0.5 0.899577 ] [ 0.28626 0.317541 0.25 ] [ 0.71374 0.682459 0.75 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.46030454707 "source-unit" "angstrom" } "b" { "source-value" 7.53941566277 "source-unit" "angstrom" } "c" { "source-value" 8.81915296 "source-unit" "angstrom" } }