{ "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" [ [ 0.227375 0.250132 0.133688 ] [ 0.772625 0.750132 0.366312 ] [ 0.272625 0.749868 0.633688 ] [ 0.727375 0.249868 0.866312 ] [ 0.297674 0.851524 0.946171 ] [ 0.797674 0.648476 0.053829 ] [ 0.702326 0.351524 0.553829 ] [ 0.202326 0.148476 0.446171 ] [ 0.770363 0.512341 0.70567 ] [ 0.729637 0.487659 0.20567 ] [ 0.270363 0.987659 0.29433 ] [ 0.228645 0.488029 0.959852 ] [ 0.771355 0.988029 0.540148 ] [ 0.728645 0.011971 0.040148 ] [ 0.271355 0.511971 0.459852 ] [ 0.229637 0.012341 0.79433 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "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" 3.96151026 "source-unit" "angstrom" } "b" { "source-value" 6.24326056 "source-unit" "angstrom" } "c" { "source-value" 13.33350544 "source-unit" "angstrom" } }