{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.996932 0.840055 0.5 ] [ 0.49275 0.671412 0.749646 ] [ 0.49275 0.671412 0.250354 ] [ 0.99275 0.328588 0.249646 ] [ 0.496932 0.159945 0 ] [ 0.99275 0.328588 0.750354 ] [ 0.498756 0.169901 0.5 ] [ 0.998756 0.830099 0 ] [ 0.622413 0.338126 0.750589 ] [ 0.122413 0.661874 0.749411 ] [ 0.122413 0.661874 0.250589 ] [ 0.622413 0.338126 0.249411 ] [ 0.624909 0.839953 0.5 ] [ 0.124909 0.160047 0 ] [ 0.629197 0.827452 0 ] [ 0.129197 0.172548 0.5 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "As" "As" "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" 6.1732142 "source-unit" "angstrom" } "b" { "source-value" 6.46220634 "source-unit" "angstrom" } "c" { "source-value" 7.4454956 "source-unit" "angstrom" } }