{ "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 0.326444 0.517609 ] [ 0.75 0.673556 0.482391 ] [ 0.75 0.826444 0.982391 ] [ 0.25 0.173556 0.017609 ] [ 0.75 0.032227 0.656224 ] [ 0.25 0.967773 0.343776 ] [ 0.25 0.532227 0.843776 ] [ 0.75 0.467773 0.156224 ] [ 0.75 0.370351 0.952422 ] [ 0.25 0.629649 0.047578 ] [ 0.25 0.870351 0.547578 ] [ 0.75 0.129649 0.452422 ] [ 0.75 0.445251 0.621575 ] [ 0.25 0.554749 0.378425 ] [ 0.25 0.945251 0.878425 ] [ 0.75 0.054749 0.121575 ] [ 0.25 0.309169 0.210817 ] [ 0.75 0.690831 0.789183 ] [ 0.75 0.809169 0.289183 ] [ 0.25 0.190831 0.710817 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "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" 4.02142059 "source-unit" "angstrom" } "b" { "source-value" 11.17050341 "source-unit" "angstrom" } "c" { "source-value" 11.73532505 "source-unit" "angstrom" } }