{ "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" [ [ 0.000331 0.749106 0.75145 ] [ 0.998021 0.748528 0.250276 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.001979 0.251472 0.749724 ] [ 0.999669 0.250894 0.24855 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.499949 0.624073 0.373407 ] [ 0.500051 0.375927 0.626593 ] [ 0.499978 0.125958 0.373282 ] [ 0.499785 0.12644 0.876715 ] [ 0.500022 0.874042 0.626718 ] [ 0.500215 0.87356 0.123285 ] [ 0.500129 0.624369 0.876226 ] [ 0.499871 0.375631 0.123774 ] [ 0.275974 0.568457 0.693355 ] [ 0.276246 0.565552 0.187521 ] [ 0.726361 0.681491 0.560545 ] [ 0.721168 0.675964 0.058495 ] [ 0.273639 0.318509 0.439455 ] [ 0.724026 0.431543 0.306645 ] [ 0.278832 0.324036 0.941506 ] [ 0.723754 0.434448 0.812479 ] [ 0.273445 0.068526 0.690489 ] [ 0.726192 0.181868 0.560707 ] [ 0.276089 0.072249 0.186859 ] [ 0.723749 0.184617 0.06155 ] [ 0.273808 0.818132 0.439293 ] [ 0.726555 0.931474 0.309511 ] [ 0.276251 0.815383 0.93845 ] [ 0.723911 0.927751 0.813141 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Fe" "Fe" "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" 5.12331303 "source-unit" "angstrom" } "b" { "source-value" 5.88650982 "source-unit" "angstrom" } "c" { "source-value" 10.19457918 "source-unit" "angstrom" } "alpha" { "source-value" 90.05442899 "source-unit" "degree" } "beta" { "source-value" 99.54100317 "source-unit" "degree" } "gamma" { "source-value" 106.7109758 "source-unit" "degree" } }