{ "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" [ [ 0.601307 0.358837 0.720027 ] [ 0.398693 0.641163 0.279973 ] [ 0.708664 0.23611 0.221516 ] [ 0.291336 0.76389 0.778484 ] [ 0 1 0.5 ] [ 0.992928 0.856598 0.223657 ] [ 0.007072 0.143402 0.776343 ] [ 0.242016 0.011128 0.229629 ] [ 0.248771 0.16364 0.566304 ] [ 0.751229 0.83636 0.433696 ] [ 0.030253 0.377676 0.763461 ] [ 0.969747 0.622324 0.236539 ] [ 0.757984 0.988872 0.770371 ] [ 0 0 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cu" "Si" "Si" "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" 6.38369123812 "source-unit" "angstrom" } "b" { "source-value" 7.17551906822 "source-unit" "angstrom" } "c" { "source-value" 7.25038455985 "source-unit" "angstrom" } "alpha" { "source-value" 114.289757269 "source-unit" "degree" } "beta" { "source-value" 100.467817684 "source-unit" "degree" } "gamma" { "source-value" 107.787761208 "source-unit" "degree" } }