{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.657253 0.5 0.70468 ] [ 0.342747 0.5 0.29532 ] [ 0.157253 0 0.70468 ] [ 0.842747 0 0.29532 ] [ 0.855625 0 0.971365 ] [ 0.144375 0 0.028635 ] [ 0.101434 0.5 0.400863 ] [ 0.898566 0.5 0.599137 ] [ 0.355625 0.5 0.971365 ] [ 0.644375 0.5 0.028635 ] [ 0.601434 0 0.400863 ] [ 0.398566 0 0.599137 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.18154285 "source-unit" "angstrom" } "b" { "source-value" 3.00760474 "source-unit" "angstrom" } "c" { "source-value" 7.09738534 "source-unit" "angstrom" } "beta" { "source-value" 119.4505106 "source-unit" "degree" } }