{ "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" [ [ 0.036199 0.01211 0.075062 ] [ 0.500509 0.779741 0.410537 ] [ 0.305731 0.623541 0.861092 ] [ 0.096667 0.766344 0.774859 ] [ 0.327962 0.445799 0.268662 ] [ 0.482227 0.957427 0.005306 ] [ 0.618524 0.793436 0.7794 ] [ 0.511895 0.509705 0.990681 ] [ 0.729463 0.66591 0.503884 ] [ 0.134892 0.277811 0.747465 ] [ 0.269829 0.875703 0.287302 ] [ 0.655885 0.117571 0.532102 ] [ 0.755724 0.933212 0.282033 ] [ 0.224434 0.60909 0.516916 ] [ 0.040058 0.484601 0.986701 ] ] } "species" { "source-value" [ "Ba" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.74598099834 "source-unit" "angstrom" } "b" { "source-value" 5.73964092686 "source-unit" "angstrom" } "c" { "source-value" 9.43677097299 "source-unit" "angstrom" } "alpha" { "source-value" 95.1607833552 "source-unit" "degree" } "beta" { "source-value" 97.5052444955 "source-unit" "degree" } "gamma" { "source-value" 118.419499945 "source-unit" "degree" } }