{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmm2" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.133399 0.055668 ] [ 0.5 0.866601 0.055668 ] [ 0 0.633399 0.055668 ] [ 0 0.366601 0.055668 ] [ 0 0 0.544155 ] [ 0.5 0.5 0.544155 ] [ 0 0.800344 0.548313 ] [ 0 0.199656 0.548313 ] [ 0.5 0.300344 0.548313 ] [ 0.5 0.699656 0.548313 ] [ 0.5 0 0.527325 ] [ 0 0 0.975045 ] [ 0 0.5 0.527325 ] [ 0.5 0.5 0.975045 ] [ 0.75 0.75 0.439858 ] [ 0 0.889666 0.45417 ] [ 0 0.797973 0.822218 ] [ 0 0.202027 0.822218 ] [ 0.25 0.75 0.439858 ] [ 0 0.110334 0.45417 ] [ 0.25 0.25 0.439858 ] [ 0.5 0.389666 0.45417 ] [ 0.5 0.297973 0.822218 ] [ 0.5 0.702027 0.822218 ] [ 0.75 0.25 0.439858 ] [ 0.5 0.610334 0.45417 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Mn" "Mn" "V" "V" "V" "V" "Br" "Br" "Br" "Br" "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" 5.76299428832 "source-unit" "angstrom" } "b" { "source-value" 17.9902991499 "source-unit" "angstrom" } "c" { "source-value" 6.03324244 "source-unit" "angstrom" } }