{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.214638 0.052419 0.72592 ] [ 0.785362 0.552419 0.27408 ] [ 0.760095 0.28517 0.893857 ] [ 0.239905 0.78517 0.106143 ] [ 0.613132 0.866234 0.490847 ] [ 0.386868 0.366234 0.509153 ] [ 0.568786 0.145166 0.91233 ] [ 0.004325 0.227632 0.822366 ] [ 0.995675 0.727632 0.177634 ] [ 0.859449 0.38383 0.077031 ] [ 0.846809 0.989988 0.529895 ] [ 0.718285 0.697401 0.494049 ] [ 0.569852 0.382849 0.3691 ] [ 0.431214 0.645166 0.08767 ] [ 0.153191 0.489988 0.470105 ] [ 0.577951 0.405357 0.728412 ] [ 0.140551 0.88383 0.922969 ] [ 0.430148 0.882849 0.6309 ] [ 0.281715 0.197401 0.505951 ] [ 0.422049 0.905357 0.271588 ] ] } "species" { "source-value" [ "Mo" "Mo" "P" "P" "P" "P" "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" 4.98972689677 "source-unit" "angstrom" } "b" { "source-value" 8.45887775 "source-unit" "angstrom" } "c" { "source-value" 7.11275216876 "source-unit" "angstrom" } "beta" { "source-value" 106.712979503 "source-unit" "degree" } }