{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.246179 0.750089 0.633491 ] [ 0.746179 0.749911 0.366509 ] [ 0.753821 0.250089 0.866509 ] [ 0.253821 0.249911 0.133491 ] [ 0.756466 0.624233 0.044555 ] [ 0.243534 0.124233 0.455445 ] [ 0.256466 0.875767 0.955445 ] [ 0.743534 0.375767 0.544555 ] [ 0.746516 0.508277 0.703633 ] [ 0.246516 0.991723 0.296367 ] [ 0.253484 0.008277 0.796367 ] [ 0.753484 0.491723 0.203633 ] [ 0.745467 0.997526 0.539522 ] [ 0.754533 0.002474 0.039522 ] [ 0.254533 0.497526 0.960478 ] [ 0.245467 0.502474 0.460478 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Cu" "Cu" "Cu" "Cu" "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" 3.96166381 "source-unit" "angstrom" } "b" { "source-value" 6.26460352 "source-unit" "angstrom" } "c" { "source-value" 13.48432169 "source-unit" "angstrom" } }