{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.2014 0.361911 0.750011 ] [ 0.2986 0.638089 0.250011 ] [ 0.7986 0.861911 0.749989 ] [ 0.7014 0.138089 0.249989 ] [ 0.706614 0.029493 0.971811 ] [ 0.793386 0.970507 0.471811 ] [ 0.293386 0.529493 0.528189 ] [ 0.206614 0.470507 0.028189 ] [ 0.244642 0.16524 0.373469 ] [ 0.255358 0.83476 0.873469 ] [ 0.755358 0.66524 0.126531 ] [ 0.744642 0.33476 0.626531 ] [ 0.804186 0.073547 0.646808 ] [ 0.512352 0.920541 0.834889 ] [ 0.043775 0.003419 0.842072 ] [ 0.208529 0.149932 0.485995 ] [ 0.291471 0.850068 0.985995 ] [ 0.456225 0.996581 0.342072 ] [ 0.987648 0.079459 0.334889 ] [ 0.695814 0.926453 0.146808 ] [ 0.195814 0.573547 0.853192 ] [ 0.487648 0.420541 0.665111 ] [ 0.956225 0.503419 0.657928 ] [ 0.791471 0.649932 0.014005 ] [ 0.708529 0.350068 0.514005 ] [ 0.543775 0.496581 0.157928 ] [ 0.012352 0.579459 0.165111 ] [ 0.304186 0.426453 0.353192 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sn" "Sn" "Sn" "Sn" "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" 5.37542362 "source-unit" "angstrom" } "b" { "source-value" 5.62216303 "source-unit" "angstrom" } "c" { "source-value" 14.19081836 "source-unit" "angstrom" } }