{ "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 0.853126 0.68172 ] [ 0.25 0.146874 0.31828 ] [ 0.75 0.353126 0.81828 ] [ 0.25 0.646874 0.18172 ] [ 0.75 0.310151 0.19141 ] [ 0.75 0.786468 0.056412 ] [ 0.25 0.213532 0.943588 ] [ 0.25 0.189849 0.69141 ] [ 0.75 0.810151 0.30859 ] [ 0.75 0.286468 0.443588 ] [ 0.25 0.713532 0.556412 ] [ 0.25 0.689849 0.80859 ] [ 0.75 0.980198 0.182168 ] [ 0.75 0.480198 0.317832 ] [ 0.25 0.372793 0.49744 ] [ 0.25 0.737855 0.376387 ] [ 0.25 0.528077 0.941838 ] [ 0.25 0.237855 0.123613 ] [ 0.25 0.519802 0.682168 ] [ 0.25 0.028077 0.558162 ] [ 0.75 0.762145 0.876387 ] [ 0.75 0.262145 0.623613 ] [ 0.75 0.971923 0.441838 ] [ 0.75 0.127207 0.99744 ] [ 0.25 0.872793 0.00256 ] [ 0.25 0.019802 0.817832 ] [ 0.75 0.627207 0.50256 ] [ 0.75 0.471923 0.058162 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "P" "P" "P" "P" "P" "P" "P" "P" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "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" 4.19973351001 "source-unit" "angstrom" } "b" { "source-value" 7.40679096781 "source-unit" "angstrom" } "c" { "source-value" 15.5657906935 "source-unit" "angstrom" } }