{ "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" [ [ 0.75085 0.096779 0.94553 ] [ 0.68981 0.084207 0.797699 ] [ 0.223847 0.591811 0.873674 ] [ 0.165532 0.574717 0.721682 ] [ 0.558442 0.060885 0.636774 ] [ 0.377767 0.099116 0.407396 ] [ 0.15077 0.009756 0.171545 ] [ 0.138061 0.50999 0.537649 ] [ 0.875262 0.458976 0.302024 ] [ 0.555437 0.406454 0.0673 ] [ 0.121112 0.07372 0.570545 ] [ 0.843857 0.060289 0.352672 ] [ 0.624489 0.991949 0.117476 ] [ 0.171021 0.073104 0.708825 ] [ 0.668475 0.582099 0.77626 ] [ 0.199405 0.090958 0.856182 ] [ 0.228231 0.161707 0.009218 ] [ 0.72736 0.602597 0.924776 ] [ 0.5998 0.383587 0.485502 ] [ 0.327162 0.246718 0.255724 ] [ 0.461253 0.565304 0.62602 ] [ 0.325658 0.516121 0.36915 ] [ 0.144401 0.439156 0.134377 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "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" 3.71279192 "source-unit" "angstrom" } "b" { "source-value" 4.61111604 "source-unit" "angstrom" } "c" { "source-value" 23.69861197 "source-unit" "angstrom" } "alpha" { "source-value" 91.54778005 "source-unit" "degree" } "beta" { "source-value" 90.84703932 "source-unit" "degree" } "gamma" { "source-value" 90.16948484 "source-unit" "degree" } }