{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.504962 0.842026 0 ] [ 0.004396 0.674052 0.248421 ] [ 0.504396 0.325948 0.251579 ] [ 0.004962 0.157974 0.5 ] [ 0.504396 0.325948 0.748421 ] [ 0.004396 0.674052 0.751579 ] [ 0.998431 0.171459 0 ] [ 0.498431 0.828541 0.5 ] [ 0.095727 0.901073 0 ] [ 0.694029 0.17694 0 ] [ 0.598885 0.694068 0.301118 ] [ 0.098885 0.305932 0.198882 ] [ 0.194029 0.82306 0.5 ] [ 0.595727 0.098927 0.5 ] [ 0.098885 0.305932 0.801118 ] [ 0.598885 0.694068 0.698882 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "As" "As" "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" 5.66792889 "source-unit" "angstrom" } "b" { "source-value" 6.07130644 "source-unit" "angstrom" } "c" { "source-value" 7.1279093 "source-unit" "angstrom" } }