{ "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" [ [ 0.840293 0.149778 0.214179 ] [ 0.163514 0.771032 0.780435 ] [ 0.340438 0.246029 0.948493 ] [ 0.238616 0.468381 0.364724 ] [ 0.730117 0.717102 0.268869 ] [ 0.664795 0.741475 0.592326 ] [ 0.842707 0.342615 0.847933 ] [ 0.570127 0.547962 0.519736 ] [ 0.425643 0.276875 0.500714 ] [ 0.634177 0.652115 0.023017 ] [ 0.271312 0.985679 0.422786 ] [ 0.839643 0.760688 0.049431 ] [ 0.822301 0.978994 0.530657 ] [ 0.19398 0.170495 0.949677 ] [ 0.41192 0.947523 0.286443 ] [ 0.905783 0.639308 0.214392 ] [ 0.613197 0.05391 0.636097 ] [ 0.035823 0.301514 0.805769 ] [ 0.413859 0.40786 0.414375 ] [ 0.485586 0.574893 0.038881 ] [ 0.653174 0.583157 0.615279 ] [ 0.561525 0.367694 0.934743 ] ] } "species" { "source-value" [ "Ba" "Ba" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "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" 5.38129332032 "source-unit" "angstrom" } "b" { "source-value" 5.98727472407 "source-unit" "angstrom" } "c" { "source-value" 8.34050781527 "source-unit" "angstrom" } "alpha" { "source-value" 85.5619143086 "source-unit" "degree" } "beta" { "source-value" 88.1746373281 "source-unit" "degree" } "gamma" { "source-value" 69.0800176794 "source-unit" "degree" } }