{ "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" [ [ 0.511445 0.285454 0.502111 ] [ 0.488555 0.714546 0.497889 ] [ 0.938102 0.309413 0.507774 ] [ 0.061898 0.690587 0.492226 ] [ 0.322581 0.169967 0.329654 ] [ 0.677419 0.830033 0.670346 ] [ 0.859219 0.151586 0.306797 ] [ 0.140781 0.848414 0.693203 ] [ 0.362658 0.669355 0.250738 ] [ 0.637342 0.330645 0.749262 ] [ 0.824949 0.700922 0.274944 ] [ 0.175051 0.299078 0.725056 ] ] } "species" { "source-value" [ "Tc" "Tc" "Tc" "Tc" "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" 6.40802478 "source-unit" "angstrom" } "b" { "source-value" 6.51724399 "source-unit" "angstrom" } "c" { "source-value" 7.53992583 "source-unit" "angstrom" } "alpha" { "source-value" 66.7891835 "source-unit" "degree" } "beta" { "source-value" 77.82403044 "source-unit" "degree" } "gamma" { "source-value" 61.17458548 "source-unit" "degree" } }