{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.991651 0.039878 0.25 ] [ 0.491651 0.460122 0.75 ] [ 0.508349 0.539878 0.25 ] [ 0.008349 0.960122 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.710439 0.28787 0.461592 ] [ 0.210439 0.21213 0.538408 ] [ 0.789561 0.78787 0.038408 ] [ 0.289561 0.71213 0.961592 ] [ 0.289561 0.71213 0.538408 ] [ 0.789561 0.78787 0.461592 ] [ 0.210439 0.21213 0.961592 ] [ 0.710439 0.28787 0.038408 ] [ 0.073741 0.483987 0.25 ] [ 0.57374 0.016013 0.75 ] [ 0.42626 0.983987 0.25 ] [ 0.92626 0.516013 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "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" 5.3318096 "source-unit" "angstrom" } "b" { "source-value" 5.37445282 "source-unit" "angstrom" } "c" { "source-value" 7.55271182 "source-unit" "angstrom" } }