{ "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" [ [ 0.001147 0.06176 0.812912 ] [ 0.000896 0.811989 0.562355 ] [ 0.998853 0.93824 0.187088 ] [ 0.000927 0.438078 0.68617 ] [ 0.999073 0.561922 0.31383 ] [ 0.997737 0.690601 0.93497 ] [ 0.999104 0.188011 0.437645 ] [ 0.002263 0.309399 0.06503 ] [ 0.500004 0.623474 0.123511 ] [ 0.499996 0.376526 0.876489 ] [ 0.499987 0.751825 0.748092 ] [ 0.49998 0.874545 0.374459 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.50002 0.125455 0.625541 ] [ 0.500013 0.248175 0.251908 ] [ 0.724916 0.913305 0.781526 ] [ 0.275367 0.964174 0.591942 ] [ 0.724633 0.035826 0.408058 ] [ 0.272917 0.592118 0.716226 ] [ 0.725392 0.662101 0.530353 ] [ 0.725429 0.78652 0.155868 ] [ 0.274652 0.712259 0.342668 ] [ 0.725348 0.287741 0.657332 ] [ 0.727083 0.407882 0.283774 ] [ 0.272766 0.840285 0.964745 ] [ 0.274608 0.337899 0.469647 ] [ 0.731088 0.537989 0.904198 ] [ 0.268912 0.462011 0.095802 ] [ 0.727234 0.159715 0.035255 ] [ 0.275084 0.086695 0.218474 ] [ 0.274571 0.21348 0.844132 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.13407093 "source-unit" "angstrom" } "b" { "source-value" 7.869847 "source-unit" "angstrom" } "c" { "source-value" 7.87012594 "source-unit" "angstrom" } "alpha" { "source-value" 82.08116031 "source-unit" "degree" } "beta" { "source-value" 83.68505013 "source-unit" "degree" } "gamma" { "source-value" 70.98362438 "source-unit" "degree" } }