{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.626307 0.748908 ] [ 0 0.373693 0.248908 ] [ 0.5 0.29617 0.59408 ] [ 0.5 0.70383 0.09408 ] [ 0.5 0.966679 0.606314 ] [ 0.5 0.033321 0.106314 ] [ 0.209649 0.119913 0.830915 ] [ 0.790351 0.880087 0.330915 ] [ 0.209649 0.880087 0.330915 ] [ 0.790351 0.119913 0.830915 ] [ 0 0.213235 0.876314 ] [ 0.5 0.561916 0.033153 ] [ 0.5 0.9392 0.748201 ] [ 0.5 0.0608 0.248201 ] [ 0 0.786765 0.376314 ] [ 0.5 0.438084 0.533153 ] ] } "species" { "source-value" [ "Sr" "Sr" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.68772271 "source-unit" "angstrom" } "b" { "source-value" 6.23050594 "source-unit" "angstrom" } "c" { "source-value" 6.76900462 "source-unit" "angstrom" } }