{ "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" [ [ 0.54651 0.32424 0.823543 ] [ 0.5 0 0.5 ] [ 0.45349 0.67576 0.176457 ] [ 0.996276 0.159921 0.15112 ] [ 1 0.5 0.5 ] [ 0.003724 0.840079 0.84888 ] [ 0.200882 0.862972 0.072632 ] [ 0.289272 0.695804 0.408189 ] [ 0.710728 0.304196 0.591811 ] [ 0.799118 0.137028 0.927368 ] [ 0.196508 0.201326 0.38944 ] [ 0.213279 0.527945 0.741091 ] [ 0.309079 0.369078 0.06226 ] [ 0.304199 0.042585 0.730616 ] [ 0.695801 0.957415 0.269384 ] [ 0.690921 0.630922 0.93774 ] [ 0.803492 0.798674 0.61056 ] [ 0.786721 0.472055 0.258909 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "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" 4.65210523 "source-unit" "angstrom" } "b" { "source-value" 5.60830914 "source-unit" "angstrom" } "c" { "source-value" 7.81991547 "source-unit" "angstrom" } "alpha" { "source-value" 92.53352646 "source-unit" "degree" } "beta" { "source-value" 90.00180634 "source-unit" "degree" } "gamma" { "source-value" 90.15121904 "source-unit" "degree" } }