{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.660645 0.683878 0.632134 ] [ 0.339355 0.316122 0.367866 ] [ 0.779117 0.011943 0.015845 ] [ 0.220883 0.988057 0.984155 ] [ 0.189671 0.855073 0.408256 ] [ 0.810329 0.144927 0.591744 ] [ 0.779099 0.589157 0.09941 ] [ 0.220901 0.410843 0.90059 ] ] } "species" { "source-value" [ "Ca" "Ca" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.88128498976 "source-unit" "angstrom" } "b" { "source-value" 5.926790535 "source-unit" "angstrom" } "c" { "source-value" 5.99021591091 "source-unit" "angstrom" } "alpha" { "source-value" 80.0965332137 "source-unit" "degree" } "beta" { "source-value" 70.6549011502 "source-unit" "degree" } "gamma" { "source-value" 75.4836219179 "source-unit" "degree" } }