{ "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" [ [ 0.873555 0.731898 0.729566 ] [ 0.126445 0.268102 0.270434 ] [ 0.206201 0.680616 0.492677 ] [ 0.38876 0.401869 0.781897 ] [ 0.793799 0.319384 0.507323 ] [ 0.895856 0.297319 0.99317 ] [ 0.61124 0.598131 0.218103 ] [ 0.767425 0.081368 0.256657 ] [ 0.232575 0.918632 0.743343 ] [ 0.104144 0.702681 0.00683 ] [ 0.856116 0.305092 0.188049 ] [ 0.826442 0.314737 0.310882 ] [ 0.173558 0.685263 0.689118 ] [ 0.143884 0.694908 0.811951 ] [ 0.487901 0.986617 0.230441 ] [ 0.512099 0.013383 0.769559 ] [ 0.779501 0.040295 0.020851 ] [ 0.541117 0.67684 0.44963 ] [ 0.458883 0.32316 0.55037 ] [ 0.220499 0.959705 0.979149 ] [ 0.391376 0.417091 0.274766 ] [ 0.080574 0.337454 0.768689 ] [ 0.173298 0.053037 0.506039 ] [ 0.5 0.5 0 ] [ 0.840633 0.128007 0.743524 ] [ 0.159367 0.871993 0.256476 ] [ 0.826702 0.946963 0.493961 ] [ 0.608624 0.582909 0.725234 ] [ 0.784148 0.669129 0.969071 ] [ 0 0.5 0.5 ] [ 0.919426 0.662546 0.231311 ] [ 0.215852 0.330871 0.030929 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.70404165996 "source-unit" "angstrom" } "b" { "source-value" 8.75529574803 "source-unit" "angstrom" } "c" { "source-value" 12.0276420256 "source-unit" "angstrom" } "alpha" { "source-value" 84.9913957729 "source-unit" "degree" } "beta" { "source-value" 85.6744369852 "source-unit" "degree" } "gamma" { "source-value" 61.352505357 "source-unit" "degree" } }