{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.507998 0.400441 0.139589 ] [ 0.530129 0.777499 0.137756 ] [ 0.990342 0.625037 0.308064 ] [ 0.562835 0.744827 0.603747 ] [ 0.006142 0.156634 0.393519 ] [ 0.030084 0.128881 0.764406 ] [ 0.486656 0.300379 0.624287 ] [ 0.064938 0.606525 0.747803 ] [ 0.653888 0.673453 0.33011 ] [ 0.152076 0.330914 0.671897 ] [ 0.86306 0.329702 0.162602 ] [ 0.228231 0.59522 0.091714 ] [ 0.8335 0.930179 0.155677 ] [ 0.268748 0.552855 0.459033 ] [ 0.150851 0.899807 0.472219 ] [ 0.360008 0.150656 0.328327 ] [ 0.897069 0.859706 0.768051 ] [ 0.723673 0.089034 0.593639 ] [ 0.766071 0.458818 0.557831 ] [ 0.32773 0.155125 0.929038 ] [ 0.643357 0.465485 0.901066 ] [ 0.399534 0.769118 0.859624 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "O" "O" "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" 5.51738207 "source-unit" "angstrom" } "b" { "source-value" 7.30063194 "source-unit" "angstrom" } "c" { "source-value" 7.31495764 "source-unit" "angstrom" } "alpha" { "source-value" 116.76358491 "source-unit" "degree" } "beta" { "source-value" 95.12665598 "source-unit" "degree" } "gamma" { "source-value" 94.42721195 "source-unit" "degree" } }