{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.23454 0.809016 0.74809 ] [ 0.23454 0.190984 0.24809 ] [ 0.770028 0.321438 0.751588 ] [ 0.770028 0.678562 0.251588 ] [ 0.502715 0.754045 0.500244 ] [ 0.502715 0.245955 0.000244 ] [ 0.000921 0.759311 0.999077 ] [ 0.000921 0.240689 0.499077 ] [ 0.3682 0.787087 0.258305 ] [ 0.75623 0.064336 0.558886 ] [ 0.148236 0.064577 0.949346 ] [ 0.84105 0.552964 0.548611 ] [ 0.237721 0.559142 0.944604 ] [ 0.640359 0.284352 0.241249 ] [ 0.3682 0.212913 0.758305 ] [ 0.75623 0.935664 0.058886 ] [ 0.148236 0.935423 0.449346 ] [ 0.84105 0.447036 0.048611 ] [ 0.237721 0.440858 0.444604 ] [ 0.640359 0.715648 0.741249 ] ] } "species" { "source-value" [ "Ca" "Ca" "Sm" "Sm" "Mn" "Mn" "Sn" "Sn" "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" 5.51119789 "source-unit" "angstrom" } "b" { "source-value" 5.85179729 "source-unit" "angstrom" } "c" { "source-value" 9.50195169 "source-unit" "angstrom" } "beta" { "source-value" 125.09406601 "source-unit" "degree" } }