{ "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" [ [ 0.670721 0.246415 0.348625 ] [ 0.332518 0.744865 0.652438 ] [ 0.921772 0.251343 0.843629 ] [ 0.078516 0.752483 0.156976 ] [ 0.281587 0.104898 0.070257 ] [ 0.815385 0.994 0.616117 ] [ 0.629143 0.756557 0.260726 ] [ 0.805988 0.506702 0.614581 ] [ 0.212907 0.603138 0.930007 ] [ 0.785476 0.402086 0.069564 ] [ 0.193894 0.492533 0.383026 ] [ 0.372806 0.253057 0.73937 ] [ 0.190852 0.00474 0.388063 ] [ 0.718838 0.898781 0.930072 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.46101555 "source-unit" "angstrom" } "b" { "source-value" 8.0131543 "source-unit" "angstrom" } "c" { "source-value" 11.65940798 "source-unit" "angstrom" } "alpha" { "source-value" 89.06800825 "source-unit" "degree" } "beta" { "source-value" 105.84179343 "source-unit" "degree" } "gamma" { "source-value" 93.92154234 "source-unit" "degree" } }