{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.484755 0.25 0.128687 ] [ 0.984755 0.25 0.371313 ] [ 0.515245 0.75 0.871313 ] [ 0.015245 0.75 0.628687 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.273509 0.25 0.758422 ] [ 0.773509 0.25 0.741578 ] [ 0.726491 0.75 0.241578 ] [ 0.226491 0.75 0.258422 ] [ 0.028601 0.25 0.67523 ] [ 0.528601 0.25 0.82477 ] [ 0.971399 0.75 0.32477 ] [ 0.471399 0.75 0.17523 ] [ 0.477592 0.25 0.458305 ] [ 0.977592 0.25 0.041695 ] [ 0.522408 0.75 0.541695 ] [ 0.022408 0.75 0.958305 ] [ 0.153583 0.972219 0.138121 ] [ 0.653583 0.527781 0.361879 ] [ 0.846417 0.472219 0.861879 ] [ 0.346417 0.027781 0.638121 ] [ 0.846417 0.027781 0.861879 ] [ 0.346417 0.472219 0.638121 ] [ 0.153583 0.527781 0.138121 ] [ 0.653583 0.972219 0.361879 ] [ 0.201797 0.047379 0.898546 ] [ 0.701797 0.452621 0.601454 ] [ 0.798203 0.547379 0.101454 ] [ 0.298203 0.952621 0.398546 ] [ 0.798203 0.952621 0.101454 ] [ 0.298203 0.547379 0.398546 ] [ 0.201797 0.452621 0.898546 ] [ 0.701797 0.047379 0.601454 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Al" "Al" "Al" "Al" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.19280929 "source-unit" "angstrom" } "b" { "source-value" 7.20399634 "source-unit" "angstrom" } "c" { "source-value" 10.31484131 "source-unit" "angstrom" } }