{ "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" [ [ 0.763764 0.693737 0.25291 ] [ 0.763764 0.306263 0.75291 ] [ 0.235125 0.196343 0.24495 ] [ 0.235125 0.803657 0.74495 ] [ 0.999637 0.747555 0.000092 ] [ 0.999637 0.252445 0.500092 ] [ 0.498157 0.251632 0.998671 ] [ 0.498157 0.748368 0.498671 ] [ 0.64425 0.714471 0.741835 ] [ 0.264048 0.466701 0.446739 ] [ 0.844457 0.440902 0.050188 ] [ 0.152842 0.937704 0.449994 ] [ 0.736754 0.969457 0.056398 ] [ 0.360966 0.219108 0.758222 ] [ 0.64425 0.285529 0.241835 ] [ 0.264048 0.533299 0.946739 ] [ 0.844457 0.559098 0.550188 ] [ 0.152842 0.062296 0.949994 ] [ 0.736754 0.030543 0.556398 ] [ 0.360966 0.780892 0.258222 ] ] } "species" { "source-value" [ "Ca" "Ca" "La" "La" "Mn" "Mn" "Mo" "Mo" "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" 5.62755497 "source-unit" "angstrom" } "b" { "source-value" 5.74815049 "source-unit" "angstrom" } "c" { "source-value" 9.81013653 "source-unit" "angstrom" } "beta" { "source-value" 124.52622035 "source-unit" "degree" } }