{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pna2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.757581 0.487989 0.147052 ] [ 0.257581 0.987989 0.352948 ] [ 0.757581 0.012011 0.647052 ] [ 0.257581 0.512011 0.852948 ] [ 0.751928 0.990554 0.166962 ] [ 0.251928 0.490554 0.333038 ] [ 0.751928 0.509446 0.666962 ] [ 0.251928 0.009446 0.833038 ] [ 0.249116 0.233149 0.094438 ] [ 0.749116 0.733149 0.405562 ] [ 0.249116 0.266851 0.594438 ] [ 0.749116 0.766851 0.905562 ] [ 0.805187 0.756575 0.056878 ] [ 0.947632 0.235297 0.123465 ] [ 0.376138 0.421532 0.153294 ] [ 0.366473 0.047729 0.160689 ] [ 0.866473 0.547729 0.339311 ] [ 0.876138 0.921532 0.346706 ] [ 0.447632 0.735297 0.376535 ] [ 0.305187 0.256575 0.443122 ] [ 0.805187 0.743425 0.556878 ] [ 0.947632 0.264703 0.623465 ] [ 0.376138 0.078468 0.653294 ] [ 0.366473 0.452271 0.660689 ] [ 0.866473 0.952271 0.839311 ] [ 0.876138 0.578468 0.846706 ] [ 0.447632 0.764703 0.876535 ] [ 0.305187 0.243425 0.943122 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "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" 5.05945897 "source-unit" "angstrom" } "b" { "source-value" 6.83575809 "source-unit" "angstrom" } "c" { "source-value" 10.11209676 "source-unit" "angstrom" } }