{ "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" [ [ 0.084574 0.794607 0 ] [ 0.205393 0.084574 0 ] [ 0.084574 0.205393 0.5 ] [ 0.915426 0.794607 0.5 ] [ 0.794607 0.084574 0.5 ] [ 0.205393 0.915426 0.5 ] [ 0.794607 0.915426 0 ] [ 0.915426 0.205393 0 ] [ 0.584574 0.294607 0.5 ] [ 0.705393 0.584574 0.5 ] [ 0.584574 0.705393 0 ] [ 0.415426 0.294607 0 ] [ 0.294607 0.584574 0 ] [ 0.705393 0.415426 0 ] [ 0.294607 0.415426 0.5 ] [ 0.415426 0.705393 0.5 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] [ 0.359019 0.859019 0 ] [ 0.859019 0.640981 0 ] [ 0.640981 0.859019 0.5 ] [ 0.140981 0.640981 0.5 ] [ 0.859019 0.359019 0.5 ] [ 0.359019 0.140981 0.5 ] [ 0.140981 0.359019 0 ] [ 0.640981 0.140981 0 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.86627995 "source-unit" "angstrom" } "c" { "source-value" 4.69194592 "source-unit" "angstrom" } }