{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.758815 0 0.81556 ] [ 0.241185 0 0.18444 ] [ 0.258815 0.5 0.81556 ] [ 0.741185 0.5 0.18444 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.108359 0.5 0.943079 ] [ 0.891641 0.5 0.056921 ] [ 0.142279 0 0.482184 ] [ 0.857721 0 0.517816 ] [ 0.608359 0 0.943079 ] [ 0.391641 0 0.056921 ] [ 0.642279 0.5 0.482184 ] [ 0.357721 0.5 0.517816 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.21280198 "source-unit" "angstrom" } "b" { "source-value" 3.13323492 "source-unit" "angstrom" } "c" { "source-value" 5.68588529 "source-unit" "angstrom" } "beta" { "source-value" 114.56938687 "source-unit" "degree" } }