{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "short-name" { "source-value" "alpha" } "basis-atom-coordinates" { "source-value" [ [ 0.000000000 0.1525000000 0.7900000000E-01 ] [ 0.5000000000 0.6525000000 0.7900000000E-01 ] [ 0.000000000 0.8475000000 0.9210000000 ] [ 0.5000000000 0.3475000000 0.9210000000 ] [ 0.000000000 0.3475000000 0.5790000000 ] [ 0.5000000000 0.8475000000 0.5790000000 ] [ 0.000000000 0.6525000000 0.4210000000 ] [ 0.5000000000 0.1525000000 0.4210000000 ] ] } "space-group" { "source-value" "Cmca" } "wyckoff-multiplicity-and-letter" { "source-value" [ "8f" ] } "wyckoff-coordinates" { "source-value" [ [ 0 0.1525 0.079 ] ] } "wyckoff-species" { "source-value" [ "Ga" ] } "temperature" { "source-unit" "K" "source-value" 297 } "cauchy-stress" { "source-unit" "atm" "source-value" [ -1 -1 -1 0 0 0 ] } "a" { "source-unit" "nm" "source-value" 0.4517 } "b" { "source-unit" "nm" "source-value" 0.7645 } "c" { "source-unit" "nm" "source-value" 0.4511 } }