{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.102126 0.022161 0.75 ] [ 0.692518 0.199491 0.550477 ] [ 0.692518 0.199491 0.949523 ] [ 0.192518 0.300509 0.050477 ] [ 0.192518 0.300509 0.449523 ] [ 0.602126 0.477839 0.25 ] [ 0.397874 0.522161 0.75 ] [ 0.807482 0.699491 0.949523 ] [ 0.807482 0.699491 0.550477 ] [ 0.307482 0.800509 0.050477 ] [ 0.307482 0.800509 0.449523 ] [ 0.897874 0.977839 0.25 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.26251383 "source-unit" "angstrom" } "b" { "source-value" 5.47102924 "source-unit" "angstrom" } "c" { "source-value" 7.62149929 "source-unit" "angstrom" } }