{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.495498 0.165129 0.937396 ] [ 0.495498 0.834871 0.437396 ] [ 0.495498 0.165129 0.562604 ] [ 0.495498 0.834871 0.062604 ] [ 0.995498 0.665129 0.937396 ] [ 0.995498 0.334871 0.437396 ] [ 0.995498 0.665129 0.562604 ] [ 0.995498 0.334871 0.062604 ] [ 0.406867 0 0 ] [ 0.748956 0.779704 0.540644 ] [ 0.577226 0.839788 0.25 ] [ 0.748956 0.220296 0.459356 ] [ 0.577226 0.160212 0.75 ] [ 0.748956 0.220296 0.040644 ] [ 0.406867 0 0.5 ] [ 0.748956 0.779704 0.959356 ] [ 0.906867 0.5 0 ] [ 0.248956 0.279704 0.540644 ] [ 0.077226 0.339788 0.25 ] [ 0.248956 0.720296 0.459356 ] [ 0.077226 0.660212 0.75 ] [ 0.248956 0.720296 0.040644 ] [ 0.906867 0.5 0.5 ] [ 0.248956 0.279704 0.959356 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 5.06443108179 "source-unit" "angstrom" } "b" { "source-value" 8.91892958167 "source-unit" "angstrom" } "c" { "source-value" 8.37876682 "source-unit" "angstrom" } }