{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.360078 0.579071 0.25 ] [ 0.139922 0.079071 0.75 ] [ 0.860078 0.920929 0.25 ] [ 0.639922 0.420929 0.75 ] [ 0.555071 0.202275 0.044506 ] [ 0.944929 0.702275 0.955494 ] [ 0.055071 0.297725 0.455494 ] [ 0.444929 0.797725 0.544506 ] [ 0.444929 0.797725 0.955494 ] [ 0.055071 0.297725 0.044506 ] [ 0.944929 0.702275 0.544506 ] [ 0.555071 0.202275 0.455494 ] [ 0.277953 0.019366 0.25 ] [ 0.222047 0.519366 0.75 ] [ 0.777953 0.480634 0.25 ] [ 0.722047 0.980634 0.75 ] [ 0.306426 0.238934 0.25 ] [ 0.193574 0.738934 0.75 ] [ 0.806426 0.261066 0.25 ] [ 0.693574 0.761066 0.75 ] [ 0.480074 0.918854 0.25 ] [ 0.019926 0.418854 0.75 ] [ 0.980074 0.581146 0.25 ] [ 0.519926 0.081146 0.75 ] [ 0.165531 0.96245 0.09036 ] [ 0.334469 0.46245 0.90964 ] [ 0.665531 0.53755 0.40964 ] [ 0.834469 0.03755 0.59036 ] [ 0.834469 0.03755 0.90964 ] [ 0.665531 0.53755 0.09036 ] [ 0.334469 0.46245 0.59036 ] [ 0.165531 0.96245 0.40964 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.14396685 "source-unit" "angstrom" } "b" { "source-value" 9.32127314 "source-unit" "angstrom" } "c" { "source-value" 10.66343898 "source-unit" "angstrom" } }