{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "species" { "source-value" [ "V" "V" "V" "V" "B" "B" "B" "B" ] } "short-name" { "source-value" "orthorhombic" } "basis-atom-coordinates" { "source-value" [ [ 0.000000000 0.1460000000 0.2500000000 ] [ 0.5000000000 0.6460000000 0.2500000000 ] [ 0.000000000 0.8540000000 0.7500000000 ] [ 0.5000000000 0.3540000000 0.7500000000 ] [ 0.000000000 0.4400000000 0.2500000000 ] [ 0.5000000000 0.9400000000 0.2500000000 ] [ 0.000000000 0.5600000000 0.7500000000 ] [ 0.5000000000 0.6000000000E-01 0.7500000000 ] ] } "space-group" { "source-value" "Cmcm" } "wyckoff-multiplicity-and-letter" { "source-value" [ "4c" "4c" ] } "wyckoff-coordinates" { "source-value" [ [ 0 0.146 0.25 ] [ 0 0.44 0.25 ] ] } "wyckoff-species" { "source-value" [ "V" "B" ] } "temperature" { "source-unit" "K" "source-value" 297 } "cauchy-stress" { "source-unit" "atm" "source-value" [ -1 -1 -1 0 0 0 ] } "a" { "source-unit" "angstrom" "source-value" 3.1 } "b" { "source-unit" "angstrom" "source-value" 8.17 } "c" { "source-unit" "angstrom" "source-value" 2.98 } }