{ "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" [ [ 0.622729 0.352016 0.233843 ] [ 0.175675 0.024885 0.34993 ] [ 0.048141 0.64987 0.091397 ] [ 0.273803 0.333541 0.548881 ] [ 0.726197 0.666459 0.451119 ] [ 0.377271 0.647984 0.766157 ] [ 0.951859 0.35013 0.908604 ] [ 0.824325 0.975115 0.65007 ] [ 0.854563 0.452597 0.712064 ] [ 0.747098 0.131495 0.497281 ] [ 0.474904 0.534191 0.952705 ] [ 0.525096 0.465809 0.047295 ] [ 0.807455 0.522953 0.621375 ] [ 0.252902 0.868505 0.502719 ] [ 0.192545 0.477047 0.378625 ] [ 0.145437 0.547403 0.287936 ] [ 0.703028 0.203605 0.405889 ] [ 0.296972 0.796395 0.594111 ] [ 0.608262 0.849955 0.204114 ] [ 0.391738 0.150045 0.795886 ] [ 0.93375 0.837065 0.885376 ] [ 0.06625 0.162935 0.114624 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.98730079581 "source-unit" "angstrom" } "b" { "source-value" 10.1902894313 "source-unit" "angstrom" } "c" { "source-value" 11.4769351216 "source-unit" "angstrom" } "alpha" { "source-value" 95.8510087837 "source-unit" "degree" } "beta" { "source-value" 99.8792719561 "source-unit" "degree" } "gamma" { "source-value" 89.9699959338 "source-unit" "degree" } }