{ "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" [ [ 0.25 0.558122 0.387918 ] [ 0.75 0.441878 0.612082 ] [ 0.25 0.058122 0.112082 ] [ 0.75 0.941878 0.887918 ] [ 0.25 0.349978 0.996658 ] [ 0.75 0.650022 0.003342 ] [ 0.25 0.849978 0.503342 ] [ 0.75 0.150022 0.496658 ] [ 0.75 0.727564 0.720702 ] [ 0.25 0.272436 0.279298 ] [ 0.75 0.227564 0.779298 ] [ 0.25 0.772436 0.220702 ] [ 0.25 0.567859 0.796599 ] [ 0.75 0.432141 0.203401 ] [ 0.25 0.067859 0.703401 ] [ 0.75 0.932141 0.296599 ] [ 0.25 0.756608 0.881466 ] [ 0.75 0.243392 0.118534 ] [ 0.25 0.256608 0.618534 ] [ 0.75 0.743392 0.381466 ] [ 0.25 0.614183 0.609273 ] [ 0.75 0.385817 0.390727 ] [ 0.25 0.114183 0.890727 ] [ 0.75 0.885817 0.109273 ] [ 0.25 0.540094 0.149582 ] [ 0.75 0.459906 0.850418 ] [ 0.25 0.040094 0.350418 ] [ 0.75 0.959906 0.649582 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Al" "Al" "Al" "Al" "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" 4.52391758 "source-unit" "angstrom" } "b" { "source-value" 12.9691884 "source-unit" "angstrom" } "c" { "source-value" 14.34802471 "source-unit" "angstrom" } }