{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.495277 0.829414 0.666063 ] [ 0.524275 0.518358 0.008062 ] [ 0.518311 0.181732 0.337411 ] [ 0.994702 0.326718 0.658893 ] [ 0.96994 0.652098 0.326499 ] [ 0.993784 0.991851 0.004198 ] [ 0.80625 0.373529 0.433279 ] [ 0.79954 0.70156 0.104958 ] [ 0.697822 0.210423 0.096553 ] [ 0.690078 0.525689 0.776947 ] [ 0.713952 0.859018 0.432376 ] [ 0.307916 0.129453 0.567814 ] [ 0.29764 0.483899 0.224877 ] [ 0.302459 0.797983 0.900859 ] [ 0.803019 0.027223 0.766397 ] [ 0.198915 0.965723 0.236107 ] [ 0.193096 0.295282 0.898087 ] [ 0.193027 0.630048 0.560623 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.69413453 "source-unit" "angstrom" } "b" { "source-value" 5.63377304 "source-unit" "angstrom" } "c" { "source-value" 7.66450092 "source-unit" "angstrom" } "alpha" { "source-value" 85.59539887 "source-unit" "degree" } "beta" { "source-value" 87.18235043 "source-unit" "degree" } "gamma" { "source-value" 87.16784584 "source-unit" "degree" } }