{ "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" [ [ 0.74717 0.019574 0.43773 ] [ 0.24461 0.410648 0.415184 ] [ 0.517542 0.71287 0.937898 ] [ 0.378873 0.26609 0.707802 ] [ 0.614955 0.164465 0.144764 ] [ 0.142605 0.6927 0.208934 ] [ 0.854245 0.733654 0.647688 ] ] } "species" { "source-value" [ "Fe" "Fe" "Ni" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.45792656 "source-unit" "angstrom" } "b" { "source-value" 6.0388157 "source-unit" "angstrom" } "c" { "source-value" 6.44684044 "source-unit" "angstrom" } "alpha" { "source-value" 116.31677806 "source-unit" "degree" } "beta" { "source-value" 104.4155524 "source-unit" "degree" } "gamma" { "source-value" 90.62448415 "source-unit" "degree" } }