{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.121036 0.131369 ] [ 0 0.878964 0.631369 ] [ 0.5 0.14444 0.50045 ] [ 0 0.85556 0.00045 ] [ 0.5 0.600309 0.603609 ] [ 0 0.399691 0.103609 ] [ 0.5 0.580752 0.039327 ] [ 0 0.419248 0.539327 ] [ 0.5 0.9475 0.822455 ] [ 0 0.0525 0.322455 ] [ 0.750637 0.335715 0.820916 ] [ 0.749363 0.664285 0.320916 ] [ 0.249363 0.335715 0.820916 ] [ 0.250637 0.664285 0.320916 ] [ 0.5 0.58207 0.229453 ] [ 0 0.41793 0.729453 ] [ 0.5 0.824338 0.664975 ] [ 0 0.175662 0.164975 ] [ 0.5 0.423749 0.735505 ] [ 0 0.576251 0.235505 ] [ 0.746729 0.553983 0.493266 ] [ 0.753271 0.446017 0.993266 ] [ 0.253271 0.553983 0.493266 ] [ 0.246729 0.446017 0.993266 ] [ 0.73826 0.094446 0.830399 ] [ 0.76174 0.905554 0.330399 ] [ 0.26174 0.094446 0.830399 ] [ 0.23826 0.905554 0.330399 ] [ 0 0.198407 0.470737 ] [ 0.5 0.801593 0.970737 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.82923746 "source-unit" "angstrom" } "b" { "source-value" 7.02382987 "source-unit" "angstrom" } "c" { "source-value" 9.46415844 "source-unit" "angstrom" } }