{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.858766 0.029763 0.006984 ] [ 0.141234 0.529763 0.493016 ] [ 0.141234 0.970237 0.993016 ] [ 0.858766 0.470237 0.506984 ] [ 0.349903 0.451215 0.982001 ] [ 0.650097 0.951215 0.517999 ] [ 0.650097 0.548785 0.017999 ] [ 0.349903 0.048785 0.482001 ] [ 0.074961 0.468425 0.89016 ] [ 0.925039 0.968425 0.60984 ] [ 0.925039 0.531575 0.10984 ] [ 0.074961 0.031575 0.39016 ] [ 0.55657 0.055331 0.105548 ] [ 0.44343 0.555331 0.394452 ] [ 0.44343 0.944669 0.894452 ] [ 0.55657 0.444669 0.605548 ] [ 0.312551 0.716415 0.173434 ] [ 0.687449 0.216415 0.326566 ] [ 0.687449 0.283585 0.826566 ] [ 0.312551 0.783585 0.673434 ] [ 0.905939 0.210107 0.269393 ] [ 0.094061 0.710107 0.230607 ] [ 0.094061 0.789893 0.730607 ] [ 0.905939 0.289893 0.769393 ] [ 0.184336 0.234232 0.179024 ] [ 0.815664 0.734232 0.320976 ] [ 0.815664 0.765768 0.820976 ] [ 0.184336 0.265768 0.679024 ] [ 0.405124 0.239332 0.238785 ] [ 0.594876 0.739332 0.261215 ] [ 0.594876 0.760668 0.761215 ] [ 0.405124 0.260668 0.738785 ] [ 0.028945 0.036049 0.176394 ] [ 0.971055 0.536049 0.323606 ] [ 0.971055 0.963951 0.823606 ] [ 0.028945 0.463951 0.676394 ] [ 0.164682 0.549676 0.099236 ] [ 0.835318 0.049676 0.400764 ] [ 0.835318 0.450324 0.900764 ] [ 0.164682 0.950324 0.599236 ] [ 0.328406 0.055893 0.113993 ] [ 0.671594 0.555893 0.386007 ] [ 0.671594 0.944107 0.886007 ] [ 0.328406 0.444107 0.613993 ] [ 0.252683 0.175232 0.82483 ] [ 0.747317 0.675232 0.67517 ] [ 0.747317 0.824768 0.17517 ] [ 0.252683 0.324768 0.32483 ] [ 0.475084 0.542878 0.167445 ] [ 0.524916 0.042878 0.332555 ] [ 0.524916 0.457122 0.832555 ] [ 0.475084 0.957122 0.667445 ] [ 0.246321 0.778684 0.821967 ] [ 0.753679 0.278684 0.678033 ] [ 0.753679 0.221316 0.178033 ] [ 0.246321 0.721316 0.321967 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.9363960757 "source-unit" "angstrom" } "b" { "source-value" 7.34616282 "source-unit" "angstrom" } "c" { "source-value" 16.9084011777 "source-unit" "angstrom" } "beta" { "source-value" 90.5416925326 "source-unit" "degree" } }