{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.923645 0.75 0.25 ] [ 0.076355 0.25 0.75 ] [ 0.457519 0.520983 0.625531 ] [ 0.457519 0.979017 0.874469 ] [ 0.542481 0.020983 0.374469 ] [ 0.542481 0.479017 0.125531 ] [ 0.542481 0.479017 0.374469 ] [ 0.542481 0.020983 0.125531 ] [ 0.457519 0.979017 0.625531 ] [ 0.457519 0.520983 0.874469 ] [ 0.040957 0.25 0.463995 ] [ 0.040957 0.25 0.036005 ] [ 0.959043 0.75 0.536005 ] [ 0.959043 0.75 0.963995 ] [ 0.057778 0.430563 0.25 ] [ 0.057778 0.069437 0.25 ] [ 0.942222 0.569437 0.75 ] [ 0.942222 0.930563 0.75 ] [ 0.7412 0.25 0.622539 ] [ 0.7412 0.25 0.877461 ] [ 0.2588 0.75 0.377461 ] [ 0.2588 0.75 0.122539 ] [ 0.479367 0.75 0.007069 ] [ 0.479367 0.75 0.492931 ] [ 0.954538 0.039792 0.617783 ] [ 0.954538 0.460208 0.882217 ] [ 0.045462 0.539792 0.382217 ] [ 0.045462 0.960208 0.117783 ] [ 0.520633 0.25 0.507069 ] [ 0.520633 0.25 0.992931 ] [ 0.211729 0.75 0.75 ] [ 0.788271 0.25 0.25 ] [ 0.669596 0.75 0.75 ] [ 0.330404 0.25 0.25 ] [ 0.456188 0.75 0.25 ] [ 0.543812 0.25 0.75 ] [ 0.954538 0.039792 0.882217 ] [ 0.954538 0.460208 0.617783 ] [ 0.045462 0.539792 0.117783 ] [ 0.045462 0.960208 0.382217 ] ] } "species" { "source-value" [ "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.22471466 "source-unit" "angstrom" } "b" { "source-value" 10.98757169 "source-unit" "angstrom" } "c" { "source-value" 18.38533743 "source-unit" "angstrom" } }