{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.117327 0.12501 ] [ 0.75 0.882673 0.87499 ] [ 0.75 0.617327 0.37499 ] [ 0.25 0.382673 0.62501 ] [ 0.25 0.50433 0.852164 ] [ 0.75 0.49567 0.147836 ] [ 0.75 0.00433 0.647836 ] [ 0.25 0.99567 0.352164 ] ] } "species" { "source-value" [ "Ge" "Ge" "Ge" "Ge" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.8779536 "source-unit" "angstrom" } "b" { "source-value" 4.54986861 "source-unit" "angstrom" } "c" { "source-value" 11.14222119 "source-unit" "angstrom" } }