{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0.452992 0.634479 0.818547 ] [ 0.547008 0.365521 0.181453 ] [ 0 0.5 0.5 ] [ 0.993648 0.830285 0.16318 ] [ 0.006352 0.169715 0.83682 ] [ 0.802324 0.538947 0.268044 ] [ 0.690609 0.370161 0.936112 ] [ 0.692691 0.697373 0.604825 ] [ 0.701677 0.043103 0.265133 ] [ 0.307309 0.302627 0.395175 ] [ 0.309391 0.629839 0.063888 ] [ 0.298323 0.956897 0.734867 ] [ 0.197676 0.461053 0.731956 ] [ 0.802529 0.869871 0.931928 ] [ 0.804581 0.199428 0.603512 ] [ 0.197471 0.130129 0.068072 ] [ 0.195419 0.800572 0.396488 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.73163195 "source-unit" "angstrom" } "b" { "source-value" 5.62311893 "source-unit" "angstrom" } "c" { "source-value" 7.71405238 "source-unit" "angstrom" } "alpha" { "source-value" 84.83667371 "source-unit" "degree" } "beta" { "source-value" 87.13339314 "source-unit" "degree" } "gamma" { "source-value" 86.21359994 "source-unit" "degree" } }