{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.832987 0.854374 ] [ 0.5 0.167013 0.854374 ] [ 0.5 0.832987 0.145626 ] [ 0 0.167013 0.145626 ] [ 0.5 0.332987 0.354374 ] [ 0 0.667013 0.354374 ] [ 0 0.332987 0.645626 ] [ 0.5 0.667013 0.645626 ] [ 0.25 0.5 0 ] [ 0.75 0.5 0 ] [ 0.75 0 0.5 ] [ 0.25 0 0.5 ] [ 0 0.3465 0.908981 ] [ 0 0.6535 0.091019 ] [ 0.5 0.3465 0.091019 ] [ 0.5 0.6535 0.908981 ] [ 0.5 0.8465 0.408981 ] [ 0.5 0.1535 0.591019 ] [ 0 0.8465 0.591019 ] [ 0 0.1535 0.408981 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Si" "Si" "Si" "Si" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.52120487216 "source-unit" "angstrom" } "b" { "source-value" 7.71717105895 "source-unit" "angstrom" } "c" { "source-value" 14.6809888215 "source-unit" "angstrom" } }