{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.967857 0.75 0.685555 ] [ 0.467857 0.25 0.814445 ] [ 0.032143 0.25 0.314445 ] [ 0.532143 0.75 0.185555 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.018128 0.75 0.352384 ] [ 0.518128 0.25 0.147616 ] [ 0.981872 0.25 0.647616 ] [ 0.481872 0.75 0.852384 ] [ 0.591946 0.75 0.360453 ] [ 0.091946 0.25 0.139547 ] [ 0.408054 0.25 0.639547 ] [ 0.908054 0.75 0.860453 ] [ 0.235677 0.75 0.150365 ] [ 0.735677 0.25 0.349635 ] [ 0.764323 0.25 0.849635 ] [ 0.264323 0.75 0.650365 ] [ 0.666511 0.549618 0.116629 ] [ 0.166511 0.450382 0.383371 ] [ 0.333489 0.049618 0.883371 ] [ 0.833489 0.950382 0.616629 ] [ 0.333489 0.450382 0.883371 ] [ 0.833489 0.549618 0.616629 ] [ 0.666511 0.950382 0.116629 ] [ 0.166511 0.049618 0.383371 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 5.59108078 "source-unit" "angstrom" } "b" { "source-value" 6.97639055 "source-unit" "angstrom" } "c" { "source-value" 9.88747307 "source-unit" "angstrom" } }