{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.373585 0 0 ] [ 0.45005 0.5 0 ] [ 0.849945 0 0.785345 ] [ 0.849945 0 0.214655 ] [ 0.766945 0.5 0.788114 ] [ 0.766945 0.5 0.211886 ] [ 0.742487 0.205105 0 ] [ 0.742487 0.794895 0 ] [ 0.127664 0.291235 0.125366 ] [ 0.127664 0.708765 0.874634 ] [ 0.127664 0.708765 0.125366 ] [ 0.127664 0.291235 0.874634 ] [ 0.873585 0.5 0.5 ] [ 0.95005 0 0.5 ] [ 0.349945 0.5 0.285345 ] [ 0.349945 0.5 0.714655 ] [ 0.266945 0 0.288114 ] [ 0.266945 0 0.711886 ] [ 0.242487 0.705105 0.5 ] [ 0.242487 0.294895 0.5 ] [ 0.627664 0.791235 0.625366 ] [ 0.627664 0.208765 0.374634 ] [ 0.627664 0.208765 0.625366 ] [ 0.627664 0.791235 0.374634 ] [ 0.026736 0 0 ] [ 0.921315 0.5 0 ] [ 0.4993 0.772068 0.835005 ] [ 0.4993 0.227932 0.164995 ] [ 0.4993 0.227932 0.835005 ] [ 0.4993 0.772068 0.164995 ] [ 0.526736 0.5 0.5 ] [ 0.421315 0 0.5 ] [ 0.9993 0.272068 0.335005 ] [ 0.9993 0.727932 0.664995 ] [ 0.9993 0.727932 0.335005 ] [ 0.9993 0.272068 0.664995 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33064846779 "source-unit" "angstrom" } "b" { "source-value" 6.548094088 "source-unit" "angstrom" } "c" { "source-value" 10.2132773666 "source-unit" "angstrom" } }