{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.333941 0.529151 ] [ 0.75 0.81819 0.75 ] [ 0.25 0.666059 0.029151 ] [ 0.25 0.18181 0.25 ] [ 0.25 0.666059 0.470849 ] [ 0.75 0.333941 0.970849 ] [ 0.75 0.926612 0.389482 ] [ 0.75 0.635222 0.25 ] [ 0.25 0.073388 0.889482 ] [ 0.75 0.926612 0.110518 ] [ 0.25 0.364778 0.75 ] [ 0.25 0.073388 0.610518 ] [ 0.049289 0.166795 0.75 ] [ 0.950711 0.833205 0.25 ] [ 0.985459 0.497952 0.25 ] [ 0.485459 0.502048 0.75 ] [ 0.014541 0.502048 0.75 ] [ 0.514541 0.497952 0.25 ] [ 0.75 0.093544 0.25 ] [ 0.25 0.291576 0.948532 ] [ 0.25 0.906456 0.75 ] [ 0.75 0.708424 0.448532 ] [ 0.25 0.291576 0.551468 ] [ 0.549289 0.833205 0.25 ] [ 0 0 0.5 ] [ 0.75 0.708424 0.051468 ] [ 0.450711 0.166795 0.75 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.15760683 "source-unit" "angstrom" } "b" { "source-value" 8.6111964 "source-unit" "angstrom" } "c" { "source-value" 10.01945414 "source-unit" "angstrom" } }