{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0.945153 0.98109 0.73717 ] [ 0.980296 0.755486 0.117189 ] [ 0.850211 0.207949 0.118352 ] [ 0.019704 0.244514 0.882811 ] [ 0.149789 0.792051 0.881648 ] [ 0.054847 0.01891 0.26283 ] [ 0.5 0 0 ] [ 0.378704 0.765745 0.517129 ] [ 0.423656 0.486657 0.220833 ] [ 0.621296 0.234255 0.482871 ] [ 0.814447 0.643987 0.478325 ] [ 0.185553 0.356013 0.521675 ] [ 0.576344 0.513343 0.779167 ] ] } "species" { "source-value" [ "W" "Se" "Se" "Se" "Se" "Se" "Se" "I" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.90495793652 "source-unit" "angstrom" } "b" { "source-value" 7.81549814848 "source-unit" "angstrom" } "c" { "source-value" 8.42619184491 "source-unit" "angstrom" } "alpha" { "source-value" 92.6687233906 "source-unit" "degree" } "beta" { "source-value" 97.2204077064 "source-unit" "degree" } "gamma" { "source-value" 96.9251182743 "source-unit" "degree" } }