{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.504057 0.01968 0.891559 ] [ 0.504057 0.98032 0.108441 ] [ 0.004057 0.48032 0.891559 ] [ 0.004057 0.51968 0.108441 ] [ 0.004057 0.51968 0.391559 ] [ 0.004057 0.48032 0.608441 ] [ 0.504057 0.98032 0.391559 ] [ 0.504057 0.01968 0.608441 ] [ 0.998975 0 0 ] [ 0.498975 0.5 0 ] [ 0.043298 0.92811 0.75 ] [ 0.543298 0.57189 0.75 ] [ 0.498975 0.5 0.5 ] [ 0.998975 0 0.5 ] [ 0.543298 0.42811 0.25 ] [ 0.043298 0.07189 0.25 ] [ 0.75034 0.252636 0.008044 ] [ 0.75034 0.747364 0.991956 ] [ 0.25034 0.247364 0.008044 ] [ 0.25034 0.752636 0.991956 ] [ 0.98403 0.048995 0.859776 ] [ 0.98403 0.951005 0.140224 ] [ 0.48403 0.451005 0.859776 ] [ 0.48403 0.548995 0.140224 ] [ 0.887233 0.371124 0.25 ] [ 0.887233 0.628876 0.75 ] [ 0.25034 0.752636 0.508044 ] [ 0.25034 0.247364 0.491956 ] [ 0.75034 0.747364 0.508044 ] [ 0.75034 0.252636 0.491956 ] [ 0.48403 0.548995 0.359776 ] [ 0.48403 0.451005 0.640224 ] [ 0.98403 0.951005 0.359776 ] [ 0.98403 0.048995 0.640224 ] [ 0.387233 0.871124 0.75 ] [ 0.387233 0.128876 0.25 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.60166203814 "source-unit" "angstrom" } "b" { "source-value" 5.77829516896 "source-unit" "angstrom" } "c" { "source-value" 15.7302877505 "source-unit" "angstrom" } }