{ "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" [ [ 0.999192 0.481535 0.11123 ] [ 0.499192 0.018465 0.11123 ] [ 0.999192 0.518465 0.88877 ] [ 0.499192 0.981535 0.88877 ] [ 0.499192 0.981535 0.61123 ] [ 0.999192 0.518465 0.61123 ] [ 0.499192 0.018465 0.38877 ] [ 0.999192 0.481535 0.38877 ] [ 0.994776 0 0 ] [ 0.494776 0.5 0 ] [ 0.494776 0.5 0.5 ] [ 0.994776 0 0.5 ] [ 0.534362 0.428053 0.75 ] [ 0.534362 0.571947 0.25 ] [ 0.034362 0.928053 0.25 ] [ 0.034362 0.071947 0.75 ] [ 0.377308 0.869659 0.25 ] [ 0.377308 0.130341 0.75 ] [ 0.474525 0.550769 0.855153 ] [ 0.474525 0.449231 0.144847 ] [ 0.974525 0.949231 0.855153 ] [ 0.974525 0.050769 0.144847 ] [ 0.24656 0.752554 0.006893 ] [ 0.24656 0.247446 0.993107 ] [ 0.74656 0.252554 0.993107 ] [ 0.74656 0.747446 0.006893 ] [ 0.877308 0.369659 0.75 ] [ 0.877308 0.630341 0.25 ] [ 0.974525 0.050769 0.355153 ] [ 0.974525 0.949231 0.644847 ] [ 0.474525 0.449231 0.355153 ] [ 0.474525 0.550769 0.644847 ] [ 0.74656 0.252554 0.506893 ] [ 0.74656 0.747446 0.493107 ] [ 0.24656 0.752554 0.493107 ] [ 0.24656 0.247446 0.506893 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Mn" "Mn" "Mn" "Mn" "Ga" "Ga" "Ga" "Ga" "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" 5.4980573788 "source-unit" "angstrom" } "b" { "source-value" 5.69421213261 "source-unit" "angstrom" } "c" { "source-value" 16.0313212497 "source-unit" "angstrom" } }