{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.540099 0.25 0.682349 ] [ 0.040099 0.75 0.817651 ] [ 0.459901 0.75 0.317651 ] [ 0.959901 0.25 0.182349 ] [ 0.954828 0.25 0.350362 ] [ 0.454828 0.75 0.149638 ] [ 0.045172 0.75 0.649638 ] [ 0.545172 0.25 0.850362 ] [ 0.823259 0.42152 0.129433 ] [ 0.323259 0.57848 0.370567 ] [ 0.176741 0.92152 0.870567 ] [ 0.676741 0.07848 0.629433 ] [ 0.176741 0.57848 0.870567 ] [ 0.676741 0.42152 0.629433 ] [ 0.823259 0.07848 0.129433 ] [ 0.323259 0.92152 0.370567 ] [ 0.239572 0.25 0.128445 ] [ 0.739572 0.75 0.371555 ] [ 0.760428 0.75 0.871555 ] [ 0.260428 0.25 0.628445 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cl" "Cl" "Cl" "Cl" "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" 4.92801763 "source-unit" "angstrom" } "b" { "source-value" 6.99402017 "source-unit" "angstrom" } "c" { "source-value" 8.77017924 "source-unit" "angstrom" } }