{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.16184 0.14592 ] [ 0 0.83816 0.85408 ] [ 0.5 0.16184 0.85408 ] [ 0.5 0.83816 0.14592 ] [ 0.5 0.66184 0.64592 ] [ 0.5 0.33816 0.35408 ] [ 0 0.66184 0.35408 ] [ 0 0.33816 0.64592 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0.5 0.336472 0.096395 ] [ 0 0.336472 0.903605 ] [ 0 0.663528 0.096395 ] [ 0.5 0.663528 0.903605 ] [ 0 0.836472 0.596395 ] [ 0.5 0.836472 0.403605 ] [ 0.5 0.163528 0.596395 ] [ 0 0.163528 0.403605 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "Si" "Si" "Si" "Si" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.14686422 "source-unit" "angstrom" } "b" { "source-value" 6.93077206 "source-unit" "angstrom" } "c" { "source-value" 13.0369945 "source-unit" "angstrom" } }