{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.194443 0 0.75 ] [ 0.805557 0 0.25 ] [ 0.694443 0.5 0.75 ] [ 0.305557 0.5 0.25 ] [ 0.920881 0.209572 0.75 ] [ 0.079119 0.209572 0.25 ] [ 0.920881 0.790428 0.75 ] [ 0.079119 0.790428 0.25 ] [ 0.420881 0.709572 0.75 ] [ 0.579119 0.709572 0.25 ] [ 0.420881 0.290428 0.75 ] [ 0.579119 0.290428 0.25 ] [ 0.891642 0.610706 0.25 ] [ 0.108358 0.389294 0.75 ] [ 0.108358 0.610706 0.75 ] [ 0.891642 0.389294 0.25 ] [ 0.391642 0.110706 0.25 ] [ 0.608358 0.889294 0.75 ] [ 0.608358 0.110706 0.75 ] [ 0.391642 0.889294 0.25 ] [ 0 0.134495 0.5 ] [ 0.667731 0 0.75 ] [ 0 0.865505 0 ] [ 0.954245 0.367289 0.75 ] [ 0 0.865505 0.5 ] [ 0 0.134495 0 ] [ 0.332269 0 0.25 ] [ 0.290911 0.801996 0.25 ] [ 0.045755 0.632711 0.25 ] [ 0.709089 0.801996 0.75 ] [ 0.709089 0.198004 0.75 ] [ 0.954245 0.632711 0.75 ] [ 0.045755 0.367289 0.25 ] [ 0.290911 0.198004 0.25 ] [ 0.5 0.634495 0.5 ] [ 0.167731 0.5 0.75 ] [ 0.5 0.365505 0 ] [ 0.454245 0.867289 0.75 ] [ 0.5 0.365505 0.5 ] [ 0.5 0.634495 0 ] [ 0.832269 0.5 0.25 ] [ 0.790911 0.301996 0.25 ] [ 0.545755 0.132711 0.25 ] [ 0.209089 0.301996 0.75 ] [ 0.209089 0.698004 0.75 ] [ 0.454245 0.132711 0.75 ] [ 0.545755 0.867289 0.25 ] [ 0.790911 0.698004 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.78329472872 "source-unit" "angstrom" } "b" { "source-value" 11.8720286555 "source-unit" "angstrom" } "c" { "source-value" 5.92738977 "source-unit" "angstrom" } }