{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.058932 0.75 ] [ 0 0.941068 0.25 ] [ 0.5 0.935361 0.25 ] [ 0.5 0.064639 0.75 ] [ 0 0.186031 0.25 ] [ 0 0.813969 0.75 ] [ 0.5 0.558932 0.75 ] [ 0.5 0.441068 0.25 ] [ 0 0.435361 0.25 ] [ 0 0.564639 0.75 ] [ 0.5 0.686031 0.25 ] [ 0.5 0.313969 0.75 ] [ 0.348946 0.179384 0.155798 ] [ 0.651054 0.179384 0.344202 ] [ 0.651054 0.820616 0.844202 ] [ 0.348946 0.820616 0.655798 ] [ 0.848946 0.679384 0.155798 ] [ 0.151054 0.679384 0.344202 ] [ 0.151054 0.320616 0.844202 ] [ 0.848946 0.320616 0.655798 ] [ 0.752648 0.80311 0.217929 ] [ 0.247352 0.80311 0.282071 ] [ 0.744782 0.06662 0.251985 ] [ 0.255218 0.06662 0.248015 ] [ 0.255218 0.93338 0.748015 ] [ 0.744782 0.93338 0.751985 ] [ 0.752648 0.19689 0.717929 ] [ 0.247352 0.19689 0.782071 ] [ 0.252648 0.30311 0.217929 ] [ 0.747352 0.30311 0.282071 ] [ 0.244782 0.56662 0.251985 ] [ 0.755218 0.56662 0.248015 ] [ 0.755218 0.43338 0.748015 ] [ 0.244782 0.43338 0.751985 ] [ 0.252648 0.69689 0.717929 ] [ 0.747352 0.69689 0.782071 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.29660529617 "source-unit" "angstrom" } "b" { "source-value" 17.0022181176 "source-unit" "angstrom" } "c" { "source-value" 7.45636919985 "source-unit" "angstrom" } "beta" { "source-value" 122.502030021 "source-unit" "degree" } }