{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.36443 0.407327 ] [ 0.75 0.36443 0.092673 ] [ 0.75 0.63557 0.592673 ] [ 0.25 0.63557 0.907327 ] [ 0.25 0.849249 0.376382 ] [ 0.75 0.150751 0.623618 ] [ 0.75 0.849249 0.123618 ] [ 0.25 0.150751 0.876382 ] [ 0.5 0.265388 0.75 ] [ 0 0.734612 0.25 ] [ 0.5 0.734612 0.25 ] [ 0 0.265388 0.75 ] [ 0.25 0.709056 0.557455 ] [ 0.25 0.290944 0.057455 ] [ 0.75 0.709056 0.942545 ] [ 0.75 0.290944 0.442545 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.51303435 "source-unit" "angstrom" } "b" { "source-value" 7.45400481 "source-unit" "angstrom" } "c" { "source-value" 7.55211108 "source-unit" "angstrom" } }