{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.24377 0.25 ] [ 0 0.75623 0.75 ] [ 0.5 0.74377 0.25 ] [ 0.5 0.25623 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.03131 0.25 ] [ 0.5 0.96869 0.75 ] [ 0 0.53131 0.25 ] [ 0 0.46869 0.75 ] [ 0.5 0.861887 0.949283 ] [ 0 0.919904 0.25 ] [ 0.5 0.138113 0.449283 ] [ 0.5 0.138113 0.050717 ] [ 0.5 0.861887 0.550717 ] [ 0 0.080096 0.75 ] [ 0 0.361887 0.949283 ] [ 0.5 0.419904 0.25 ] [ 0 0.638113 0.449283 ] [ 0 0.638113 0.050717 ] [ 0 0.361887 0.550717 ] [ 0.5 0.580096 0.75 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Y" "Y" "Y" "Y" "Ag" "Ag" "Ag" "Ag" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.53922649 "source-unit" "angstrom" } "b" { "source-value" 15.1898937 "source-unit" "angstrom" } "c" { "source-value" 11.53464677 "source-unit" "angstrom" } }