{ "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" [ [ 0.264592 0.153375 0.790679 ] [ 0.743825 0.869155 0.20163 ] [ 0.536411 0.777919 0.658085 ] [ 0.934995 0.46306 0.11279 ] [ 0.269257 0.668447 0.829954 ] [ 0.510546 0.211121 0.315992 ] [ 0.326322 0.249245 0.54772 ] [ 0.697218 0.753561 0.44314 ] [ 0.250886 0.920452 0.116754 ] [ 0.775342 0.06589 0.863384 ] [ 0.136523 0.407922 0.838114 ] [ 0.886781 0.587935 0.1617 ] [ 0.416425 0.789183 0.779487 ] [ 0.612234 0.182702 0.198138 ] ] } "species" { "source-value" [ "Mo" "Mo" "H" "H" "H" "H" "O" "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" 3.76432708054 "source-unit" "angstrom" } "b" { "source-value" 6.42581829639 "source-unit" "angstrom" } "c" { "source-value" 7.70722819259 "source-unit" "angstrom" } "alpha" { "source-value" 67.6200644412 "source-unit" "degree" } "beta" { "source-value" 80.1110569322 "source-unit" "degree" } "gamma" { "source-value" 75.398416254 "source-unit" "degree" } }