{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.510294 0.836263 0 ] [ 0.009347 0.669379 0.247426 ] [ 0.509347 0.330621 0.252574 ] [ 0.010294 0.163737 0.5 ] [ 0.509347 0.330621 0.747426 ] [ 0.009347 0.669379 0.752574 ] [ 0.002016 0.172201 0 ] [ 0.502016 0.827799 0.5 ] [ 0.11287 0.872169 0 ] [ 0.656582 0.178389 0 ] [ 0.107405 0.316934 0.225863 ] [ 0.607405 0.683066 0.274137 ] [ 0.156582 0.821611 0.5 ] [ 0.61287 0.127831 0.5 ] [ 0.607405 0.683066 0.725863 ] [ 0.107405 0.316934 0.774137 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "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" 5.00897424 "source-unit" "angstrom" } "b" { "source-value" 5.46588948 "source-unit" "angstrom" } "c" { "source-value" 6.4028841 "source-unit" "angstrom" } }