{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.505021 0.75 0.238725 ] [ 0.005021 0.25 0.261275 ] [ 0.494979 0.25 0.761275 ] [ 0.994979 0.75 0.738725 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.997924 0.75 0.411589 ] [ 0.497924 0.25 0.088411 ] [ 0.002076 0.25 0.588411 ] [ 0.502076 0.75 0.911589 ] [ 0.858055 0.75 0.916095 ] [ 0.358055 0.25 0.583905 ] [ 0.141945 0.25 0.083905 ] [ 0.641945 0.75 0.416095 ] [ 0.806445 0.021599 0.667296 ] [ 0.306445 0.978401 0.832704 ] [ 0.193555 0.521599 0.332704 ] [ 0.693555 0.478401 0.167296 ] [ 0.193555 0.978401 0.332704 ] [ 0.693555 0.021599 0.167296 ] [ 0.806445 0.478401 0.667296 ] [ 0.306445 0.521599 0.832704 ] [ 0.309566 0.75 0.081626 ] [ 0.809566 0.25 0.418374 ] [ 0.690434 0.25 0.918374 ] [ 0.190434 0.75 0.581626 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.22461692 "source-unit" "angstrom" } "b" { "source-value" 8.27807981 "source-unit" "angstrom" } "c" { "source-value" 13.46817698 "source-unit" "angstrom" } }