{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.98508 0.047891 0.25 ] [ 0.48508 0.452109 0.75 ] [ 0.51492 0.547891 0.25 ] [ 0.01492 0.952109 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.306464 0.69521 0.566282 ] [ 0.806464 0.80479 0.433718 ] [ 0.193536 0.19521 0.933718 ] [ 0.693536 0.30479 0.066282 ] [ 0.693536 0.30479 0.433718 ] [ 0.193536 0.19521 0.566282 ] [ 0.806464 0.80479 0.066282 ] [ 0.306464 0.69521 0.933718 ] [ 0.124356 0.445457 0.25 ] [ 0.624356 0.054543 0.75 ] [ 0.375644 0.945457 0.25 ] [ 0.875644 0.554543 0.75 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Tm" "Tm" "Tm" "Tm" "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" 5.85709029 "source-unit" "angstrom" } "b" { "source-value" 6.0514423 "source-unit" "angstrom" } "c" { "source-value" 8.46815149 "source-unit" "angstrom" } }