{ "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" [ [ 0.75 0.990427 0.301869 ] [ 0.25 0.009573 0.698131 ] [ 0.75 0.490427 0.198131 ] [ 0.25 0.509573 0.801869 ] [ 0.75 0.318494 0.58485 ] [ 0.25 0.181506 0.08485 ] [ 0.25 0.681506 0.41515 ] [ 0.75 0.818494 0.91515 ] [ 0.25 0.785031 0.089838 ] [ 0.25 0.285031 0.410162 ] [ 0.75 0.714969 0.589838 ] [ 0.75 0.214969 0.910162 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Sn" "Sn" "Sn" "Sn" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.57567634 "source-unit" "angstrom" } "b" { "source-value" 7.22566769 "source-unit" "angstrom" } "c" { "source-value" 8.06468825 "source-unit" "angstrom" } }