{ "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 0.126535 0.550947 ] [ 0.5 0.04529 0.25 ] [ 0.5 0.95471 0.75 ] [ 0 0.126535 0.949053 ] [ 0 0.873465 0.050947 ] [ 0 0.873465 0.449053 ] [ 0.5 0.626535 0.550947 ] [ 0 0.54529 0.25 ] [ 0 0.45471 0.75 ] [ 0.5 0.626535 0.949053 ] [ 0.5 0.373465 0.050947 ] [ 0.5 0.373465 0.449053 ] [ 0 0.241642 0.25 ] [ 0 0.758358 0.75 ] [ 0.5 0.741642 0.25 ] [ 0.5 0.258358 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "As" "As" "As" "As" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.11909581 "source-unit" "angstrom" } "b" { "source-value" 10.16374592 "source-unit" "angstrom" } "c" { "source-value" 7.69123778 "source-unit" "angstrom" } }