{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.832567 0.332567 0 ] [ 0.667433 0.832567 0 ] [ 0.332567 0.167433 0 ] [ 0.167433 0.667433 0 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.332567 0.832567 0.5 ] [ 0.167433 0.332567 0.5 ] [ 0.832567 0.667433 0.5 ] [ 0.667433 0.167433 0.5 ] [ 0.5 0.5 0.25 ] [ 0 0 0.25 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.352565 0.852565 0.144114 ] [ 0.352565 0.852565 0.855886 ] [ 0.647435 0.147435 0.855886 ] [ 0.852565 0.647435 0.855886 ] [ 0.147435 0.352565 0.855886 ] [ 0.147435 0.352565 0.144114 ] [ 0.852565 0.647435 0.144114 ] [ 0.647435 0.147435 0.144114 ] [ 0.852565 0.352565 0.644114 ] [ 0.852565 0.352565 0.355886 ] [ 0.147435 0.647435 0.355886 ] [ 0.352565 0.147435 0.355886 ] [ 0.647435 0.852565 0.355886 ] [ 0.647435 0.852565 0.644114 ] [ 0.352565 0.147435 0.644114 ] [ 0.147435 0.647435 0.644114 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.84993127673 "source-unit" "angstrom" } "c" { "source-value" 11.4973596501 "source-unit" "angstrom" } }