{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.823102 0.984179 0.75 ] [ 0.323102 0.515821 0.25 ] [ 0.676898 0.484179 0.75 ] [ 0.176898 0.015821 0.25 ] [ 0.199994 0.264781 0.75 ] [ 0.699994 0.235219 0.25 ] [ 0.300006 0.764781 0.75 ] [ 0.800006 0.735219 0.25 ] [ 0.195801 0.738048 0.076363 ] [ 0.695801 0.761952 0.923637 ] [ 0.304199 0.238048 0.423637 ] [ 0.804199 0.261952 0.576363 ] [ 0.804199 0.261952 0.923637 ] [ 0.304199 0.238048 0.076363 ] [ 0.695801 0.761952 0.576363 ] [ 0.195801 0.738048 0.423637 ] [ 0.769748 0.008905 0.076438 ] [ 0.269748 0.491095 0.923562 ] [ 0.730252 0.508905 0.423562 ] [ 0.230252 0.991095 0.576438 ] [ 0.230252 0.991095 0.923562 ] [ 0.730252 0.508905 0.076438 ] [ 0.269748 0.491095 0.576438 ] [ 0.769748 0.008905 0.423562 ] [ 0.515406 0.126594 0.83672 ] [ 0.015406 0.373406 0.16328 ] [ 0.484594 0.873406 0.33672 ] [ 0.515406 0.126594 0.66328 ] [ 0.015406 0.373406 0.33672 ] [ 0.984594 0.626594 0.83672 ] [ 0.484594 0.873406 0.16328 ] [ 0.984594 0.626594 0.66328 ] [ 0.800533 0.258077 0.089644 ] [ 0.268466 0.98799 0.410457 ] [ 0.731534 0.01201 0.910457 ] [ 0.231534 0.48799 0.089543 ] [ 0.231534 0.48799 0.410457 ] [ 0.731534 0.01201 0.589543 ] [ 0.268466 0.98799 0.089543 ] [ 0.768466 0.51201 0.589543 ] [ 0.319872 0.018642 0.75 ] [ 0.819872 0.481358 0.25 ] [ 0.180128 0.518642 0.75 ] [ 0.680128 0.981358 0.25 ] [ 0.709094 0.232646 0.75 ] [ 0.209094 0.267354 0.25 ] [ 0.790906 0.732646 0.75 ] [ 0.290906 0.767354 0.25 ] [ 0.300533 0.241923 0.910356 ] [ 0.699467 0.758077 0.410356 ] [ 0.199467 0.741923 0.589644 ] [ 0.199467 0.741923 0.910356 ] [ 0.800533 0.258077 0.410356 ] [ 0.300533 0.241923 0.589644 ] [ 0.768466 0.51201 0.910457 ] [ 0.699467 0.758077 0.089644 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "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" 7.24180485 "source-unit" "angstrom" } "b" { "source-value" 14.29189425 "source-unit" "angstrom" } "c" { "source-value" 21.45599733 "source-unit" "angstrom" } }