{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.04051 0.75 0.682226 ] [ 0.54051 0.25 0.817774 ] [ 0.95949 0.25 0.317774 ] [ 0.45949 0.75 0.182226 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.519629 0.75 0.855996 ] [ 0.019629 0.25 0.644004 ] [ 0.480371 0.25 0.144004 ] [ 0.980371 0.75 0.355996 ] [ 0.100832 0.75 0.845242 ] [ 0.600832 0.25 0.654758 ] [ 0.899168 0.25 0.154758 ] [ 0.399168 0.75 0.345242 ] [ 0.751408 0.75 0.65468 ] [ 0.251408 0.25 0.84532 ] [ 0.248592 0.25 0.34532 ] [ 0.748592 0.75 0.15468 ] [ 0.160643 0.555371 0.613734 ] [ 0.660643 0.444629 0.886266 ] [ 0.839357 0.055371 0.386266 ] [ 0.339357 0.944629 0.113734 ] [ 0.839357 0.444629 0.386266 ] [ 0.339357 0.555371 0.113734 ] [ 0.160643 0.944629 0.613734 ] [ 0.660643 0.055371 0.886266 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 5.6908139 "source-unit" "angstrom" } "b" { "source-value" 7.03503676 "source-unit" "angstrom" } "c" { "source-value" 10.24336317 "source-unit" "angstrom" } }