{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcab" } "basis-atom-coordinates" { "source-value" [ [ 0.24269 0.098495 0.05036 ] [ 0.74269 0.401505 0.05036 ] [ 0.25731 0.098495 0.55036 ] [ 0.75731 0.901505 0.94964 ] [ 0.75731 0.401505 0.55036 ] [ 0.25731 0.598495 0.94964 ] [ 0.74269 0.901505 0.44964 ] [ 0.24269 0.598495 0.44964 ] [ 0.267997 0.598731 0.660649 ] [ 0.767997 0.401269 0.839351 ] [ 0.232003 0.098731 0.339351 ] [ 0.732003 0.901269 0.160649 ] [ 0.732003 0.401269 0.339351 ] [ 0.232003 0.598731 0.160649 ] [ 0.767997 0.901269 0.660649 ] [ 0.267997 0.098731 0.839351 ] [ 0.081663 0.313752 0.883083 ] [ 0.581663 0.686248 0.616917 ] [ 0.418337 0.813752 0.116917 ] [ 0.918337 0.186248 0.383083 ] [ 0.918337 0.686248 0.116917 ] [ 0.418337 0.313752 0.383083 ] [ 0.581663 0.186248 0.883083 ] [ 0.081663 0.813752 0.616917 ] [ 0.210881 0.929819 0.918581 ] [ 0.710881 0.070181 0.581419 ] [ 0.289119 0.429819 0.081419 ] [ 0.210881 0.429819 0.581419 ] [ 0.789119 0.070181 0.081419 ] [ 0.289119 0.929819 0.418581 ] [ 0.710881 0.570181 0.918581 ] [ 0.789119 0.570181 0.418581 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "As" "As" "As" "As" "As" "As" "As" "As" "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" 5.17068523 "source-unit" "angstrom" } "b" { "source-value" 6.79042426 "source-unit" "angstrom" } "c" { "source-value" 15.90307643 "source-unit" "angstrom" } }