{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.688887 0.213322 0.151762 ] [ 0.188887 0.713322 0.348238 ] [ 0.811113 0.213322 0.651762 ] [ 0.311113 0.713322 0.848238 ] [ 0.689814 0.712714 0.153058 ] [ 0.189814 0.212714 0.346942 ] [ 0.810186 0.712714 0.653058 ] [ 0.310186 0.212714 0.846942 ] [ 0.813687 0.463253 0.904285 ] [ 0.313687 0.963253 0.595715 ] [ 0.686313 0.463253 0.404285 ] [ 0.186313 0.963253 0.095715 ] [ 0.885824 0.969894 0.117144 ] [ 0.114176 0.469894 0.882856 ] [ 0.690035 0.646451 0.842768 ] [ 0.706992 0.278814 0.836631 ] [ 0.74406 0.457378 0.050692 ] [ 0.25594 0.957378 0.949308 ] [ 0.309965 0.146451 0.157232 ] [ 0.293008 0.778814 0.163369 ] [ 0.793008 0.278814 0.336631 ] [ 0.809965 0.646451 0.342768 ] [ 0.206992 0.778814 0.663369 ] [ 0.24406 0.957378 0.449308 ] [ 0.75594 0.457378 0.550692 ] [ 0.614176 0.969894 0.617144 ] [ 0.190035 0.146451 0.657232 ] [ 0.385824 0.469894 0.382856 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 5.12656511 "source-unit" "angstrom" } "b" { "source-value" 6.9505108 "source-unit" "angstrom" } "c" { "source-value" 10.32139365 "source-unit" "angstrom" } }