{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.001079 0.646988 0.741555 ] [ 0.498921 0.353012 0.241555 ] [ 0.002883 0.608603 0.417686 ] [ 0.497117 0.391397 0.917686 ] [ 0.997117 0.108603 0.082314 ] [ 0.502883 0.891397 0.582314 ] [ 0.501079 0.853012 0.258445 ] [ 0.998921 0.146988 0.758445 ] [ 0.495617 0.889375 0.943394 ] [ 0.504383 0.389375 0.556606 ] [ 0.004383 0.110625 0.443394 ] [ 0.995617 0.610625 0.056606 ] [ 0.337678 0.694699 0.047649 ] [ 0.496393 0.583054 0.434862 ] [ 0.996393 0.916946 0.565138 ] [ 0.162322 0.305301 0.547649 ] [ 0.503607 0.083054 0.065138 ] [ 0.662322 0.194699 0.452351 ] [ 0.837678 0.805301 0.952351 ] [ 0.003607 0.416946 0.934862 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Sn" "Sn" "Sn" "Sn" "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" 5.88714326 "source-unit" "angstrom" } "b" { "source-value" 7.64196088 "source-unit" "angstrom" } "c" { "source-value" 11.43767112 "source-unit" "angstrom" } }