{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.797161 0.819991 0.526139 ] [ 0.202839 0.180009 0.473861 ] [ 0.297161 0.680009 0.026139 ] [ 0.702839 0.319991 0.973861 ] [ 0.242271 0.11369 0.977336 ] [ 0.257729 0.61369 0.522664 ] [ 0.742271 0.38631 0.477336 ] [ 0.757729 0.88631 0.022664 ] [ 0.809606 0.594238 0.232847 ] [ 0.690394 0.094238 0.267153 ] [ 0.309606 0.905762 0.732847 ] [ 0.190394 0.405762 0.767153 ] [ 0.669472 0.686487 0.085569 ] [ 0.257859 0.060153 0.691453 ] [ 0.206364 0.887711 0.941158 ] [ 0.169472 0.813513 0.585569 ] [ 0.899539 0.37004 0.75547 ] [ 0.830528 0.186487 0.414431 ] [ 0.793636 0.112289 0.058842 ] [ 0.242141 0.560153 0.808547 ] [ 0.757859 0.439847 0.191453 ] [ 0.706364 0.612289 0.441158 ] [ 0.742141 0.939847 0.308547 ] [ 0.600461 0.87004 0.74453 ] [ 0.399539 0.12996 0.25547 ] [ 0.330528 0.313513 0.914431 ] [ 0.293636 0.387711 0.558842 ] [ 0.100461 0.62996 0.24453 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "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" 5.21133230595 "source-unit" "angstrom" } "b" { "source-value" 9.72318166 "source-unit" "angstrom" } "c" { "source-value" 7.06202685654 "source-unit" "angstrom" } "beta" { "source-value" 91.8408691802 "source-unit" "degree" } }