{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.747678 0 0.503364 ] [ 0.75041 0.738968 0.003907 ] [ 0.75041 0.261032 0.003907 ] [ 0.247678 0.5 0.503364 ] [ 0.25041 0.238968 0.003907 ] [ 0.25041 0.761032 0.003907 ] [ 0.999095 0.744376 0.997965 ] [ 0.999095 0.255624 0.997965 ] [ 0.501711 0.5 0.498309 ] [ 0.499095 0.244376 0.997965 ] [ 0.499095 0.755624 0.997965 ] [ 0.001711 0 0.498309 ] [ 0.998749 0.5 0.501776 ] [ 0.498749 0 0.501776 ] [ 0.893642 0.758393 0.508891 ] [ 0.893642 0.241607 0.508891 ] [ 0.889545 0 0.028374 ] [ 0.890098 0.5 0.037939 ] [ 0.613556 0 0.982749 ] [ 0.608142 0.5 0.952833 ] [ 0.605856 0.241878 0.489821 ] [ 0.605856 0.758122 0.489821 ] [ 0.393642 0.258393 0.508891 ] [ 0.393642 0.741607 0.508891 ] [ 0.389545 0.5 0.028374 ] [ 0.390098 0 0.037939 ] [ 0.113556 0.5 0.982749 ] [ 0.108142 0 0.952833 ] [ 0.105856 0.741878 0.489821 ] [ 0.105856 0.258122 0.489821 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Co" "Co" "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" 11.89324545 "source-unit" "angstrom" } "b" { "source-value" 5.85460379 "source-unit" "angstrom" } "c" { "source-value" 5.04062 "source-unit" "angstrom" } "beta" { "source-value" 124.94651674 "source-unit" "degree" } }