{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.278647 0.496684 0.797485 ] [ 0.221353 0.996684 0.702515 ] [ 0.721353 0.503316 0.202515 ] [ 0.778647 0.003316 0.297485 ] [ 0.273501 0.841084 0.069026 ] [ 0.226499 0.341084 0.430974 ] [ 0.726499 0.158916 0.930974 ] [ 0.773501 0.658916 0.569026 ] [ 0.231815 0.281008 0.081537 ] [ 0.268185 0.781008 0.418463 ] [ 0.768185 0.718992 0.918463 ] [ 0.731815 0.218992 0.581537 ] [ 0.148886 0.169303 0.927691 ] [ 0.351114 0.669303 0.572309 ] [ 0.851114 0.830697 0.072309 ] [ 0.648886 0.330697 0.427691 ] [ 0.486977 0.167907 0.136218 ] [ 0.013023 0.667907 0.363782 ] [ 0.513023 0.832093 0.863782 ] [ 0.986977 0.332093 0.636218 ] [ 0.023876 0.251279 0.195598 ] [ 0.476124 0.751279 0.304402 ] [ 0.976124 0.748721 0.804402 ] [ 0.523876 0.248721 0.695598 ] [ 0.781093 0.987368 0.555945 ] [ 0.718907 0.487368 0.944055 ] [ 0.218907 0.012632 0.444055 ] [ 0.281093 0.512632 0.055945 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "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" 5.57569944999 "source-unit" "angstrom" } "b" { "source-value" 6.81557351 "source-unit" "angstrom" } "c" { "source-value" 9.37991036464 "source-unit" "angstrom" } "beta" { "source-value" 94.5735931912 "source-unit" "degree" } }