{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.74768 0 ] [ 0.5 0.25232 0 ] [ 0.5 0 0.5 ] [ 0 0.750958 0.5 ] [ 0 0.249042 0.5 ] [ 0.5 0.5 0.5 ] [ 0.7615 0 0.269391 ] [ 0.757649 0.5 0.276938 ] [ 0.743511 0.748232 0.727647 ] [ 0.256489 0.748232 0.272353 ] [ 0.743511 0.251768 0.727647 ] [ 0.2385 0 0.730609 ] [ 0.256489 0.251768 0.272353 ] [ 0.242351 0.5 0.723062 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "Cr" "Cr" "Cr" "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" 5.14133688 "source-unit" "angstrom" } "b" { "source-value" 5.93028377 "source-unit" "angstrom" } "c" { "source-value" 5.16194127 "source-unit" "angstrom" } "beta" { "source-value" 109.51455398 "source-unit" "degree" } }