{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.444072 0.806325 0.627708 ] [ 0.25 0 0.415634 ] [ 0.75 0 0.584366 ] [ 0.555928 0.193675 0.372292 ] [ 0.944072 0.193675 0.372292 ] [ 0.555928 0.806325 0.372292 ] [ 0.444072 0.193675 0.627708 ] [ 0.055928 0.806325 0.627708 ] [ 0.75 0 0.195129 ] [ 0.944072 0.806325 0.372292 ] [ 0.055928 0.193675 0.627708 ] [ 0.25 0 0.804871 ] [ 0.944072 0.306325 0.127708 ] [ 0.75 0.5 0.915634 ] [ 0.25 0.5 0.084366 ] [ 0.055928 0.693675 0.872292 ] [ 0.444072 0.693675 0.872292 ] [ 0.055928 0.306325 0.872292 ] [ 0.944072 0.693675 0.127708 ] [ 0.555928 0.306325 0.127708 ] [ 0.25 0.5 0.695129 ] [ 0.444072 0.306325 0.872292 ] [ 0.555928 0.693675 0.127708 ] [ 0.75 0.5 0.304871 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.20867007 "source-unit" "angstrom" } "b" { "source-value" 7.42591 "source-unit" "angstrom" } "c" { "source-value" 10.34561745 "source-unit" "angstrom" } }