{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.453494 0.75 0.22528 ] [ 0.546506 0.25 0.77472 ] [ 0.962402 0.25 0.275959 ] [ 0.037598 0.75 0.724041 ] [ 0.396175 0.25 0.094602 ] [ 0.905442 0.75 0.404317 ] [ 0.094558 0.25 0.595683 ] [ 0.603825 0.75 0.905398 ] [ 0.665255 0.75 0.049469 ] [ 0.70241 0.25 0.119169 ] [ 0.25341 0.053214 0.170972 ] [ 0.25341 0.446786 0.170972 ] [ 0.761826 0.953305 0.332687 ] [ 0.761826 0.546695 0.332687 ] [ 0.202121 0.75 0.387191 ] [ 0.176421 0.25 0.449486 ] [ 0.823579 0.75 0.550514 ] [ 0.797879 0.25 0.612809 ] [ 0.238174 0.046695 0.667313 ] [ 0.238174 0.453305 0.667313 ] [ 0.74659 0.553214 0.829028 ] [ 0.74659 0.946786 0.829028 ] [ 0.29759 0.75 0.880831 ] [ 0.334745 0.25 0.950531 ] ] } "species" { "source-value" [ "V" "V" "Sn" "Sn" "P" "P" "P" "P" "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" 5.00453711 "source-unit" "angstrom" } "b" { "source-value" 6.0393699 "source-unit" "angstrom" } "c" { "source-value" 10.19616068 "source-unit" "angstrom" } "beta" { "source-value" 90.64811786 "source-unit" "degree" } }