{ "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" [ [ 0.024812 0.125698 0.830079 ] [ 0.5 0 0.5 ] [ 0.975188 0.874302 0.169921 ] [ 0.508434 0.655387 0.834161 ] [ 0 0.5 0.5 ] [ 0.491566 0.344613 0.165839 ] [ 0.796494 0.125533 0.18956 ] [ 0.203506 0.874467 0.81044 ] [ 0.712485 0.971277 0.857588 ] [ 0.287515 0.028723 0.142412 ] [ 0.90597 0.136645 0.718355 ] [ 0.588174 0.957948 0.382532 ] [ 0.926716 0.773875 0.050231 ] [ 0.411826 0.042052 0.617468 ] [ 0.09403 0.863355 0.281645 ] [ 0.412276 0.717031 0.951115 ] [ 0.802999 0.811202 0.52524 ] [ 0.708837 0.644122 0.191407 ] [ 0.793919 0.473758 0.857423 ] [ 0.303293 0.688599 0.475157 ] [ 0.206081 0.526242 0.142577 ] [ 0.577137 0.629936 0.715296 ] [ 0.912683 0.459245 0.382428 ] [ 0.587724 0.282969 0.048885 ] [ 0.087317 0.540755 0.617572 ] [ 0.422863 0.370064 0.284704 ] [ 0.073284 0.226125 0.949769 ] [ 0.696707 0.311401 0.524843 ] [ 0.291163 0.355878 0.808593 ] [ 0.197001 0.188798 0.47476 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 5.25948528 "source-unit" "angstrom" } "b" { "source-value" 5.46178286 "source-unit" "angstrom" } "c" { "source-value" 14.73845403 "source-unit" "angstrom" } "alpha" { "source-value" 100.27553101 "source-unit" "degree" } "beta" { "source-value" 89.99922285 "source-unit" "degree" } "gamma" { "source-value" 90.20436909 "source-unit" "degree" } }