{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.3793 0.812201 ] [ 0 0.6207 0.187799 ] [ 0 0.8793 0.687799 ] [ 0 0.1207 0.312201 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.800102 0.846637 ] [ 0.5 0.199898 0.153363 ] [ 0.5 0.300102 0.653363 ] [ 0.5 0.699898 0.346637 ] [ 0 0.317801 0.092263 ] [ 0 0.182199 0.592263 ] [ 0 0.682199 0.907737 ] [ 0.5 0.608178 0.721134 ] [ 0 0.817801 0.407737 ] [ 0.5 0.108178 0.778866 ] [ 0.5 0.360888 0.38237 ] [ 0.5 0.139112 0.88237 ] [ 0.5 0.860888 0.11763 ] [ 0.5 0.891822 0.221134 ] [ 0.5 0.391822 0.278866 ] [ 0.5 0.639112 0.61763 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Cr" "Cr" "Cr" "Cr" "C" "C" "C" "C" "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" 3.27812021 "source-unit" "angstrom" } "b" { "source-value" 5.79681993 "source-unit" "angstrom" } "c" { "source-value" 14.10991088 "source-unit" "angstrom" } }