{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0.580562 0.167128 0.562524 ] [ 0.580562 0.832872 0.437476 ] [ 0.419438 0.832872 0.062524 ] [ 0.419438 0.167128 0.937476 ] [ 0.080562 0.667128 0.562524 ] [ 0.080562 0.332872 0.437476 ] [ 0.919438 0.332872 0.062524 ] [ 0.919438 0.667128 0.937476 ] [ 0.867521 0.75712 0.456125 ] [ 0.867521 0.24288 0.543875 ] [ 0.132479 0.24288 0.956125 ] [ 0.132479 0.75712 0.043875 ] [ 0.5 0.830211 0.25 ] [ 0.5 0.169789 0.75 ] [ 0.403636 0 0 ] [ 0.596364 0 0.5 ] [ 0.367521 0.25712 0.456125 ] [ 0.367521 0.74288 0.543875 ] [ 0.632479 0.74288 0.956125 ] [ 0.632479 0.25712 0.043875 ] [ 0 0.330211 0.25 ] [ 0 0.669789 0.75 ] [ 0.903636 0.5 0 ] [ 0.096364 0.5 0.5 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 5.08853779 "source-unit" "angstrom" } "b" { "source-value" 9.13858252 "source-unit" "angstrom" } "c" { "source-value" 8.33443473 "source-unit" "angstrom" } }