{ "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" [ [ 0.762152 0.25 0.911301 ] [ 0.262152 0.25 0.588699 ] [ 0.237848 0.75 0.088699 ] [ 0.737848 0.75 0.411301 ] [ 0.125175 0.25 0.246682 ] [ 0.625175 0.25 0.253318 ] [ 0.874825 0.75 0.753318 ] [ 0.374825 0.75 0.746682 ] [ 0.895805 0.25 0.444188 ] [ 0.395805 0.25 0.055812 ] [ 0.104195 0.75 0.555812 ] [ 0.604195 0.75 0.944188 ] [ 0.886648 0.50229 0.155175 ] [ 0.386648 0.99771 0.344825 ] [ 0.113352 0.00229 0.844825 ] [ 0.613352 0.49771 0.655175 ] [ 0.113352 0.49771 0.844825 ] [ 0.613352 0.00229 0.655175 ] [ 0.886648 0.99771 0.155175 ] [ 0.386648 0.50229 0.344825 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "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" 6.55117334 "source-unit" "angstrom" } "b" { "source-value" 6.91507418 "source-unit" "angstrom" } "c" { "source-value" 10.30842049 "source-unit" "angstrom" } }