{ "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" [ [ 0.703551 0.087107 0.400391 ] [ 0.296059 0.599335 0.913495 ] [ 0.566415 0.566368 0.564651 ] [ 0.351257 0.160686 0.035686 ] [ 0.037308 0.353913 0.163128 ] [ 0.97043 0.8436 0.65194 ] [ 0.161298 0.036144 0.35338 ] [ 0.654307 0.971878 0.845786 ] [ 0.845094 0.652462 0.971552 ] [ 0.723719 0.499624 0.275097 ] [ 0.275225 0.723966 0.498978 ] [ 0.499243 0.275626 0.723623 ] [ 0.97403 0.500868 0.028994 ] [ 0.001287 0.847857 0.153658 ] [ 0.70874 0.581732 0.130983 ] [ 0.208318 0.314683 0.065446 ] [ 0.868721 0.418369 0.290628 ] [ 0.552587 0.356791 0.23786 ] [ 0.754808 0.635601 0.449343 ] [ 0.314649 0.066073 0.208358 ] [ 0.292377 0.870219 0.420264 ] [ 0.236087 0.55194 0.357944 ] [ 0.063324 0.204963 0.310695 ] [ 0.025045 0.970067 0.497114 ] [ 0.789245 0.929608 0.683949 ] [ 0.448614 0.752634 0.636555 ] [ 0.132705 0.71049 0.583633 ] [ 0.931538 0.688011 0.792613 ] [ 0.358833 0.23641 0.550702 ] [ 0.634571 0.450551 0.754254 ] [ 0.582302 0.131685 0.708106 ] [ 0.683849 0.789297 0.928868 ] [ 0.419778 0.2931 0.869552 ] [ 0.847661 0.153868 0.002222 ] [ 0.153968 0.000336 0.847693 ] [ 0.499059 0.027136 0.971858 ] ] } "species" { "source-value" [ "K" "K" "Li" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.47202485 "source-unit" "angstrom" } "b" { "source-value" 8.4808987 "source-unit" "angstrom" } "c" { "source-value" 8.48235565 "source-unit" "angstrom" } "alpha" { "source-value" 104.03098826 "source-unit" "degree" } "beta" { "source-value" 104.1417491 "source-unit" "degree" } "gamma" { "source-value" 104.13254892 "source-unit" "degree" } }