{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.834733 0.25 0.310738 ] [ 0.834733 0.75 0.689262 ] [ 0.792032 0.5 0 ] [ 0.792032 0 0 ] [ 0.334733 0.25 0.810738 ] [ 0.334733 0.75 0.189262 ] [ 0.292032 0.5 0.5 ] [ 0.292032 0 0.5 ] [ 0.821152 0.25 0.72215 ] [ 0.821152 0.75 0.27785 ] [ 0.321152 0.25 0.22215 ] [ 0.321152 0.75 0.77785 ] [ 0.986166 0.25 0.933718 ] [ 0.986166 0.75 0.066282 ] [ 0.56281 0.25 0.055309 ] [ 0.56281 0.75 0.944691 ] [ 0.116238 0.447412 0.232258 ] [ 0.116238 0.552588 0.767742 ] [ 0.116238 0.052588 0.232258 ] [ 0.116238 0.947412 0.767742 ] [ 0.486166 0.25 0.433718 ] [ 0.486166 0.75 0.566282 ] [ 0.06281 0.25 0.555309 ] [ 0.06281 0.75 0.444691 ] [ 0.616238 0.447412 0.732258 ] [ 0.616238 0.552588 0.267742 ] [ 0.616238 0.052588 0.732258 ] [ 0.616238 0.947412 0.267742 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "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" 7.04192246 "source-unit" "angstrom" } "b" { "source-value" 9.73688106 "source-unit" "angstrom" } "c" { "source-value" 10.16901672 "source-unit" "angstrom" } }