{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.151601 0.75 ] [ 0.5 0.848399 0.25 ] [ 0 0.651601 0.75 ] [ 0 0.348399 0.25 ] [ 0 0.774503 0.75 ] [ 0 0.067656 0.25 ] [ 0.5 0.030804 0.75 ] [ 0 0.225497 0.25 ] [ 0.5 0.969196 0.25 ] [ 0 0.932344 0.75 ] [ 0.5 0.274503 0.75 ] [ 0.5 0.567656 0.25 ] [ 0 0.530804 0.75 ] [ 0.5 0.725497 0.25 ] [ 0 0.469196 0.25 ] [ 0.5 0.432344 0.75 ] [ 0 0.851981 0.75 ] [ 0 0.751923 0.25 ] [ 0.5 0.046345 0.25 ] [ 0.5 0.953655 0.75 ] [ 0 0.05464 0.75 ] [ 0 0.148019 0.25 ] [ 0 0.248077 0.75 ] [ 0 0.94536 0.25 ] [ 0.5 0.351981 0.75 ] [ 0.5 0.251923 0.25 ] [ 0 0.546345 0.25 ] [ 0 0.453655 0.75 ] [ 0.5 0.55464 0.75 ] [ 0.5 0.648019 0.25 ] [ 0.5 0.748077 0.75 ] [ 0.5 0.44536 0.25 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cl" "Cl" "Cl" "Cl" "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" 4.77937583843 "source-unit" "angstrom" } "b" { "source-value" 30.9728272714 "source-unit" "angstrom" } "c" { "source-value" 5.0776332 "source-unit" "angstrom" } }