{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.028479 0.824255 ] [ 0.75 0.971521 0.175745 ] [ 0.25 0.528479 0.675745 ] [ 0.75 0.471521 0.324255 ] [ 0.75 0.358637 0.925757 ] [ 0.25 0.641363 0.074243 ] [ 0.75 0.858637 0.574243 ] [ 0.25 0.141363 0.425757 ] [ 0.25 0.781574 0.391405 ] [ 0.75 0.218426 0.608595 ] [ 0.25 0.281574 0.108595 ] [ 0.75 0.718426 0.891405 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.07254655 "source-unit" "angstrom" } "b" { "source-value" 8.57783628 "source-unit" "angstrom" } "c" { "source-value" 9.19073236 "source-unit" "angstrom" } }