{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.604492 0.355971 ] [ 0.75 0.395508 0.644029 ] [ 0.25 0.104492 0.144029 ] [ 0.75 0.895508 0.855971 ] [ 0.75 0.59912 0.069834 ] [ 0.75 0.09912 0.430166 ] [ 0.25 0.40088 0.930166 ] [ 0.25 0.90088 0.569834 ] [ 0.25 0.255073 0.500689 ] [ 0.75 0.744927 0.499311 ] [ 0.25 0.755073 0.999311 ] [ 0.75 0.244927 0.000689 ] [ 0.25 0.100514 0.375525 ] [ 0.75 0.399486 0.875525 ] [ 0.25 0.600514 0.124475 ] [ 0.75 0.899486 0.624475 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Cr" "Cr" "Cr" "Cr" "C" "C" "C" "C" "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" 3.72883692 "source-unit" "angstrom" } "b" { "source-value" 5.2458413 "source-unit" "angstrom" } "c" { "source-value" 10.39471688 "source-unit" "angstrom" } }