{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.977601 0.740523 0.068371 ] [ 0.477601 0.759477 0.931629 ] [ 0.022399 0.259477 0.931629 ] [ 0.022399 0.240523 0.431629 ] [ 0.522399 0.240523 0.068371 ] [ 0.977601 0.759477 0.568371 ] [ 0.477601 0.740523 0.431629 ] [ 0.522399 0.259477 0.568371 ] [ 0.330545 0.571182 0.209221 ] [ 0.830545 0.571182 0.290779 ] [ 0.330545 0.928818 0.709221 ] [ 0.169455 0.071182 0.209221 ] [ 0.669455 0.071182 0.290779 ] [ 0.169455 0.428818 0.709221 ] [ 0.830545 0.928818 0.790779 ] [ 0.669455 0.428818 0.790779 ] [ 0.609261 0.722021 0.692735 ] [ 0.890739 0.277979 0.192735 ] [ 0.890739 0.222021 0.692735 ] [ 0.390739 0.277979 0.307265 ] [ 0.390739 0.222021 0.807265 ] [ 0.109261 0.722021 0.807265 ] [ 0.609261 0.777979 0.192735 ] [ 0.109261 0.777979 0.307265 ] [ 0.740105 0.497982 0.961758 ] [ 0.240105 0.497982 0.538242 ] [ 0.759895 0.502018 0.461758 ] [ 0.740105 0.002018 0.461758 ] [ 0.259895 0.502018 0.038242 ] [ 0.759895 0.997982 0.961758 ] [ 0.240105 0.002018 0.038242 ] [ 0.259895 0.997982 0.538242 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.56711656 "source-unit" "angstrom" } "b" { "source-value" 7.5939509 "source-unit" "angstrom" } "c" { "source-value" 12.70286111 "source-unit" "angstrom" } }