{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.028471 0.327461 ] [ 0 0.971529 0.672539 ] [ 0 0.528471 0.172539 ] [ 0 0.471529 0.827461 ] [ 0 0.319158 0.482978 ] [ 0 0.680842 0.517022 ] [ 0 0.819158 0.017022 ] [ 0 0.180842 0.982978 ] [ 0.5 0.256167 0.25858 ] [ 0.5 0.743833 0.74142 ] [ 0.5 0.756167 0.24142 ] [ 0.5 0.243833 0.75858 ] [ 0.5 0.387409 0.020012 ] [ 0.5 0.612591 0.979988 ] [ 0.5 0.887409 0.479988 ] [ 0.5 0.112591 0.520012 ] [ 0.5 0.011312 0.112222 ] [ 0.5 0.988688 0.887778 ] [ 0.5 0.511312 0.387778 ] [ 0.5 0.488688 0.612222 ] [ 0 0.229499 0.3047 ] [ 0 0.770501 0.6953 ] [ 0 0.729499 0.1953 ] [ 0 0.270501 0.8047 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.16220476 "source-unit" "angstrom" } "b" { "source-value" 12.60921072 "source-unit" "angstrom" } "c" { "source-value" 12.88357736 "source-unit" "angstrom" } }