{ "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" [ [ 0.5 0.574082 0.168691 ] [ 0.5 0.425918 0.831309 ] [ 0.5 0.074082 0.331309 ] [ 0.5 0.925918 0.668691 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.689882 0.430741 ] [ 0.5 0.310118 0.569259 ] [ 0.5 0.189882 0.069259 ] [ 0.5 0.810118 0.930741 ] [ 0 0.855812 0.203262 ] [ 0 0.144188 0.796738 ] [ 0 0.5 0 ] [ 0 0 0.5 ] [ 0 0.644188 0.703262 ] [ 0 0.355812 0.296738 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Sn" "Sn" "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" 4.04407312 "source-unit" "angstrom" } "b" { "source-value" 7.94617599 "source-unit" "angstrom" } "c" { "source-value" 11.36764558 "source-unit" "angstrom" } }