{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.787397 0.523773 0.222109 ] [ 0.787397 0.976227 0.722109 ] [ 0.212603 0.023773 0.277891 ] [ 0.212603 0.476227 0.777891 ] [ 0.916652 0.243805 0.488356 ] [ 0.615494 0.903985 0.155207 ] [ 0.916652 0.256195 0.988356 ] [ 0.615494 0.596015 0.655207 ] [ 0.384506 0.403985 0.344793 ] [ 0.083348 0.743805 0.011644 ] [ 0.384506 0.096015 0.844793 ] [ 0.083348 0.756195 0.511644 ] [ 0.978528 0.626201 0.102861 ] [ 0.877972 0.942933 0.18208 ] [ 0.777464 0.346972 0.080662 ] [ 0.978528 0.873799 0.602861 ] [ 0.882124 0.667291 0.400106 ] [ 0.748054 0.365137 0.382544 ] [ 0.877972 0.557067 0.68208 ] [ 0.611963 0.722379 0.147288 ] [ 0.777464 0.153028 0.580662 ] [ 0.882124 0.832709 0.900106 ] [ 0.556431 0.971768 0.294547 ] [ 0.748054 0.134863 0.882544 ] [ 0.443569 0.471768 0.205453 ] [ 0.611963 0.777621 0.647288 ] [ 0.5 0.5 0.5 ] [ 0.388037 0.222379 0.352712 ] [ 0.556431 0.528232 0.794547 ] [ 0.251946 0.865137 0.117456 ] [ 0.443569 0.028232 0.705453 ] [ 0.5 0 0 ] [ 0.117876 0.167291 0.099894 ] [ 0.222536 0.846972 0.419338 ] [ 0.388037 0.277621 0.852712 ] [ 0.122028 0.442933 0.31792 ] [ 0.251946 0.634863 0.617456 ] [ 0.117876 0.332709 0.599894 ] [ 0.021472 0.126201 0.397139 ] [ 0.222536 0.653028 0.919338 ] [ 0.122028 0.057067 0.81792 ] [ 0.021472 0.373799 0.897139 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "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" 6.91817314 "source-unit" "angstrom" } "b" { "source-value" 9.88335697 "source-unit" "angstrom" } "c" { "source-value" 10.87753451 "source-unit" "angstrom" } "beta" { "source-value" 105.68921799 "source-unit" "degree" } }