{ "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 0.79224 0.75 ] [ 0 0.20776 0.25 ] [ 0.5 0.910872 0.75 ] [ 0.5 0.089128 0.25 ] [ 0.5 0.29224 0.75 ] [ 0.5 0.70776 0.25 ] [ 0 0.410872 0.75 ] [ 0 0.589128 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.815395 0.100931 0.75 ] [ 0.184605 0.899069 0.25 ] [ 0.815395 0.899069 0.25 ] [ 0.184605 0.100931 0.75 ] [ 0.315395 0.600931 0.75 ] [ 0.684605 0.399069 0.25 ] [ 0.315395 0.399069 0.25 ] [ 0.684605 0.600931 0.75 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Ni" "Ni" "Ni" "Ni" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.64363533 "source-unit" "angstrom" } "b" { "source-value" 14.06917975 "source-unit" "angstrom" } "c" { "source-value" 5.7956524 "source-unit" "angstrom" } }