{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.257987 0.5 0 ] [ 0.742013 0 0.5 ] [ 0.742013 0.5 0 ] [ 0.257987 0 0.5 ] [ 0.5 0.405309 0.349376 ] [ 0.5 0.594691 0.650624 ] [ 0.5 0.905309 0.150624 ] [ 0.5 0.094691 0.849376 ] [ 0 0.15505 0.164899 ] [ 0 0.84495 0.835101 ] [ 0 0.65505 0.335101 ] [ 0 0.34495 0.664899 ] [ 0.283253 0 0 ] [ 0.716747 0.5 0.5 ] [ 0.716747 0 0 ] [ 0.283253 0.5 0.5 ] [ 0.25023 0.387714 0.201502 ] [ 0.25023 0.612286 0.798498 ] [ 0.74977 0.887714 0.298498 ] [ 0.74977 0.112286 0.701502 ] [ 0.74977 0.612286 0.798498 ] [ 0.74977 0.387714 0.201502 ] [ 0.25023 0.112286 0.701502 ] [ 0.25023 0.887714 0.298498 ] [ 0.5 0.145867 0.427668 ] [ 0.5 0.854133 0.572332 ] [ 0.5 0.645867 0.072332 ] [ 0.5 0.354133 0.927668 ] [ 0 0.15534 0.443298 ] [ 0 0.84466 0.556702 ] [ 0 0.65534 0.056702 ] [ 0 0.34466 0.943298 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Bi" "Bi" "Bi" "Bi" "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" 5.87861915 "source-unit" "angstrom" } "b" { "source-value" 7.65162902 "source-unit" "angstrom" } "c" { "source-value" 8.66511602 "source-unit" "angstrom" } }