{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.669733 ] [ 0.25 0.5 0.830267 ] [ 0.25 0 0.330267 ] [ 0.75 0.5 0.169733 ] [ 0.75 0.5 0.427687 ] [ 0.25 0 0.072313 ] [ 0.25 0.5 0.572313 ] [ 0.75 0 0.927687 ] [ 0.11562 0.280789 0.67374 ] [ 0.61562 0.219211 0.82626 ] [ 0.88438 0.780789 0.82626 ] [ 0.38438 0.719211 0.67374 ] [ 0.88438 0.719211 0.32626 ] [ 0.38438 0.780789 0.17374 ] [ 0.11562 0.219211 0.17374 ] [ 0.61562 0.280789 0.32626 ] [ 0.571465 0.296858 0.54413 ] [ 0.071465 0.203142 0.95587 ] [ 0.428535 0.796858 0.95587 ] [ 0.928535 0.703142 0.54413 ] [ 0.428535 0.703142 0.45587 ] [ 0.928535 0.796858 0.04413 ] [ 0.571465 0.203142 0.04413 ] [ 0.071465 0.296858 0.45587 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Te" "Te" "Te" "Te" "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" 5.07112978 "source-unit" "angstrom" } "b" { "source-value" 5.30782334 "source-unit" "angstrom" } "c" { "source-value" 12.82293759 "source-unit" "angstrom" } }