{ "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 0.011962 0.311199 ] [ 0.75 0.988038 0.688801 ] [ 0.75 0.488038 0.811199 ] [ 0.25 0.511962 0.188801 ] [ 0.25 0.781589 0.903739 ] [ 0.75 0.218411 0.096261 ] [ 0.75 0.718411 0.403739 ] [ 0.25 0.281589 0.596261 ] [ 0.25 0.655434 0.566108 ] [ 0.75 0.344566 0.433892 ] [ 0.75 0.844566 0.066108 ] [ 0.25 0.155434 0.933892 ] [ 0.75 0.43712 0.08092 ] [ 0.25 0.56288 0.91908 ] [ 0.25 0.06288 0.58092 ] [ 0.75 0.93712 0.41908 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "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" 4.45404839 "source-unit" "angstrom" } "b" { "source-value" 7.30650831 "source-unit" "angstrom" } "c" { "source-value" 8.67917323 "source-unit" "angstrom" } }