{ "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 0.256585 0.542869 ] [ 0 0.743415 0.457131 ] [ 0 0.756585 0.957131 ] [ 0 0.243415 0.042869 ] [ 0.5 0.106784 0.804023 ] [ 0.5 0.893216 0.195977 ] [ 0.5 0.606784 0.695977 ] [ 0.5 0.393216 0.304023 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.360438 0.736085 ] [ 0 0.639562 0.263915 ] [ 0 0.860438 0.763915 ] [ 0 0.139562 0.236085 ] [ 0 0.402504 0.844653 ] [ 0 0.597496 0.155347 ] [ 0 0.097496 0.344653 ] [ 0 0.902504 0.655347 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "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" 3.68341189 "source-unit" "angstrom" } "b" { "source-value" 6.60634524 "source-unit" "angstrom" } "c" { "source-value" 11.99585849 "source-unit" "angstrom" } }