{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.17844 0.132348 0.5 ] [ 0.132348 0.82156 0.5 ] [ 0.867652 0.17844 0.5 ] [ 0.82156 0.867652 0.5 ] [ 0.284784 0.397634 0 ] [ 0.397634 0.715216 0 ] [ 0.602366 0.284784 0 ] [ 0.715216 0.602366 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.410561 0.245413 0.5 ] [ 0.245413 0.589439 0.5 ] [ 0.754587 0.410561 0.5 ] [ 0.589439 0.754587 0.5 ] [ 0.039551 0.285526 0 ] [ 0.285526 0.960449 0 ] [ 0.714474 0.039551 0 ] [ 0.960449 0.714474 0 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "As" "As" "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" 9.43930307 "source-unit" "angstrom" } "c" { "source-value" 3.2967141 "source-unit" "angstrom" } }