{ "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" [ [ 0.891355 0.767406 0.227713 ] [ 0.349884 0.598501 0.321 ] [ 0.650116 0.401499 0.679 ] [ 0 0 0 ] [ 0.108645 0.232594 0.772287 ] [ 0.143256 0.226197 0.428066 ] [ 0.617196 0.299944 0.017755 ] [ 0.382804 0.700056 0.982245 ] [ 0.856744 0.773803 0.571934 ] [ 0.23814 0.389761 0.376204 ] [ 0.236208 0.660982 0.135106 ] [ 0.077606 0.737669 0.442752 ] [ 0.636439 0.791995 0.462649 ] [ 0.672883 0.788876 0.040131 ] [ 0.327117 0.211124 0.959869 ] [ 0.061539 0.044517 0.270362 ] [ 0.763792 0.339018 0.864894 ] [ 0.922394 0.262331 0.557248 ] [ 0.239077 0.814956 0.92919 ] [ 0.760923 0.185044 0.07081 ] [ 0.3665 0.504517 0.830304 ] [ 0.938461 0.955483 0.729638 ] [ 0.76186 0.610239 0.623796 ] [ 0.6335 0.495483 0.169696 ] [ 0.363561 0.208005 0.537351 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "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" 5.25870376916 "source-unit" "angstrom" } "b" { "source-value" 8.03152942532 "source-unit" "angstrom" } "c" { "source-value" 8.51125435606 "source-unit" "angstrom" } "alpha" { "source-value" 113.461017801 "source-unit" "degree" } "beta" { "source-value" 87.830600384 "source-unit" "degree" } "gamma" { "source-value" 102.156514362 "source-unit" "degree" } }