{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.500022 0.133515 ] [ 0.75 0.499978 0.866485 ] [ 0.75 0.000022 0.366485 ] [ 0.25 0.999978 0.633515 ] [ 0.25 0.125817 0.955474 ] [ 0.75 0.625817 0.544526 ] [ 0.75 0.874183 0.044526 ] [ 0.25 0.374183 0.455474 ] [ 0.25 0.258083 0.796397 ] [ 0.75 0.741917 0.203603 ] [ 0.75 0.758083 0.703603 ] [ 0.25 0.241917 0.296397 ] [ 0.25 0.74742 0.960513 ] [ 0.25 0.75258 0.460513 ] [ 0.75 0.24742 0.539487 ] [ 0.75 0.25258 0.039487 ] ] } "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" 3.96218863 "source-unit" "angstrom" } "b" { "source-value" 6.26498422 "source-unit" "angstrom" } "c" { "source-value" 13.48884744 "source-unit" "angstrom" } }