{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.599418 0.836846 ] [ 0.25 0.520329 0.397038 ] [ 0.25 0.147348 0.490323 ] [ 0.75 0.852652 0.509677 ] [ 0.25 0.647348 0.009677 ] [ 0.75 0.979671 0.897038 ] [ 0.75 0.352652 0.990323 ] [ 0.25 0.900582 0.336846 ] [ 0.75 0.099418 0.663154 ] [ 0.25 0.400582 0.163154 ] [ 0.75 0.479671 0.602962 ] [ 0.25 0.020329 0.102962 ] [ 0.25 0.793513 0.710599 ] [ 0.75 0.206487 0.289401 ] [ 0.75 0.706487 0.210599 ] [ 0.25 0.293513 0.789401 ] [ 0.75 0.372667 0.465462 ] [ 0.75 0.084758 0.379968 ] [ 0.25 0.147693 0.238188 ] [ 0.75 0.221557 0.115381 ] [ 0.25 0.587947 0.711997 ] [ 0.25 0.778443 0.884619 ] [ 0.25 0.415242 0.879968 ] [ 0.25 0.127333 0.965462 ] [ 0.25 0.647693 0.261812 ] [ 0.25 0.087947 0.788003 ] [ 0.25 0.627333 0.534538 ] [ 0.25 0.278443 0.615381 ] [ 0.75 0.584758 0.120032 ] [ 0.75 0.721557 0.384619 ] [ 0.75 0.872667 0.034538 ] [ 0.75 0.412053 0.288003 ] [ 0.25 0.915242 0.620032 ] [ 0.75 0.852307 0.761812 ] [ 0.75 0.352307 0.738188 ] [ 0.75 0.912053 0.211997 ] [ 0.25 0.925166 0.457905 ] [ 0.75 0.074834 0.542095 ] [ 0.75 0.574834 0.957905 ] [ 0.25 0.425166 0.042095 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "Ga" "Ga" "Ga" "Ga" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "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" 4.04931251 "source-unit" "angstrom" } "b" { "source-value" 10.85557112 "source-unit" "angstrom" } "c" { "source-value" 20.06910776 "source-unit" "angstrom" } }