{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.839265 0.660735 0.501389 ] [ 0.339265 0.839265 0.498611 ] [ 0.660735 0.160735 0.498611 ] [ 0.160735 0.339265 0.501389 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.62493 0.87507 0.934521 ] [ 0.37507 0.12493 0.934521 ] [ 0.12493 0.62493 0.065479 ] [ 0.87507 0.37507 0.065479 ] [ 0.937763 0.180212 0.224731 ] [ 0.062237 0.819788 0.224731 ] [ 0.180212 0.062237 0.775269 ] [ 0.819788 0.937763 0.775269 ] [ 0.680212 0.437763 0.224731 ] [ 0.562237 0.680212 0.775269 ] [ 0.437763 0.319788 0.775269 ] [ 0.319788 0.562237 0.224731 ] [ 0.366394 0.133606 0.266498 ] [ 0.866394 0.366394 0.733502 ] [ 0.133606 0.633606 0.733502 ] [ 0.633606 0.866394 0.266498 ] [ 0.5 0 0.823499 ] [ 0 0.5 0.176501 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Ge" "Ge" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 9.74641102 "source-unit" "angstrom" } "c" { "source-value" 6.52762152 "source-unit" "angstrom" } }