{ "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 0.416946 0.317973 ] [ 0 0.583054 0.682027 ] [ 0 0.916946 0.182027 ] [ 0 0.083054 0.817973 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.262067 0.042254 ] [ 0.5 0.876681 0.695889 ] [ 0.5 0.123319 0.304111 ] [ 0.5 0.376681 0.804111 ] [ 0.5 0.623319 0.195889 ] [ 0 0.762067 0.457746 ] [ 0 0.237933 0.542254 ] [ 0 0.737933 0.957746 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ti" "Ti" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.76420353 "source-unit" "angstrom" } "b" { "source-value" 6.99893771 "source-unit" "angstrom" } "c" { "source-value" 12.24448843 "source-unit" "angstrom" } }