{ "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" [ [ 0.804566 0.024936 0.650427 ] [ 0.384636 0.553855 0.85886 ] [ 0.615364 0.446145 0.14114 ] [ 0.195434 0.975064 0.349573 ] [ 0.266801 0.50729 0.54027 ] [ 0.733199 0.49271 0.45973 ] [ 0 0 0 ] [ 0.885806 0.063711 0.878618 ] [ 0.68803 0.471838 0.331043 ] [ 0.31197 0.528162 0.668957 ] [ 0.114194 0.936289 0.121382 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.41419541988 "source-unit" "angstrom" } "b" { "source-value" 3.4990963013 "source-unit" "angstrom" } "c" { "source-value" 11.7672751359 "source-unit" "angstrom" } "alpha" { "source-value" 92.6385987423 "source-unit" "degree" } "beta" { "source-value" 96.0596573408 "source-unit" "degree" } "gamma" { "source-value" 90.1460063212 "source-unit" "degree" } }