{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.356847 0 0.26515 ] [ 0.643153 0 0.73485 ] [ 0 0 0.5 ] [ 0.856847 0.5 0.26515 ] [ 0.143153 0.5 0.73485 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.972643 0.238714 0.268148 ] [ 0.247764 0 0.048916 ] [ 0.027357 0.238714 0.731852 ] [ 0.226703 0 0.454699 ] [ 0.027357 0.761286 0.731852 ] [ 0.972643 0.761286 0.268148 ] [ 0.773297 0 0.545301 ] [ 0.752236 0 0.951084 ] [ 0.472643 0.738714 0.268148 ] [ 0.747764 0.5 0.048916 ] [ 0.527357 0.738714 0.731852 ] [ 0.726703 0.5 0.454699 ] [ 0.527357 0.261286 0.731852 ] [ 0.472643 0.261286 0.268148 ] [ 0.273297 0.5 0.545301 ] [ 0.252236 0.5 0.951084 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "In" "In" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.59987808824 "source-unit" "angstrom" } "b" { "source-value" 5.65209249832 "source-unit" "angstrom" } "c" { "source-value" 6.53413253496 "source-unit" "angstrom" } "beta" { "source-value" 90.6187343109 "source-unit" "degree" } }