{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.784976 0.25 0.100954 ] [ 0.215024 0.75 0.899046 ] [ 0.414993 0.25 0.681891 ] [ 0.585007 0.75 0.318109 ] [ 0.705282 0.75 0.777802 ] [ 0.294718 0.25 0.222198 ] [ 0.068783 0.75 0.361329 ] [ 0.931217 0.25 0.638671 ] [ 0.832911 0.25 0.432894 ] [ 0.167089 0.75 0.567106 ] [ 0.182702 0.25 0.688969 ] [ 0.817298 0.75 0.311031 ] [ 0.823543 0.75 0.98345 ] [ 0.176457 0.25 0.01655 ] [ 0.870381 0.996679 0.728333 ] [ 0.129619 0.496679 0.271667 ] [ 0.476355 0.997548 0.201149 ] [ 0.523645 0.497548 0.798851 ] [ 0.427667 0.25 0.485441 ] [ 0.572333 0.75 0.514559 ] [ 0.870381 0.503321 0.728333 ] [ 0.523645 0.002452 0.798851 ] [ 0.129619 0.003321 0.271667 ] [ 0.476355 0.502452 0.201149 ] ] } "species" { "source-value" [ "Ba" "Ba" "V" "V" "V" "V" "V" "V" "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" 7.60944199612 "source-unit" "angstrom" } "b" { "source-value" 5.63805898 "source-unit" "angstrom" } "c" { "source-value" 8.38260297505 "source-unit" "angstrom" } "beta" { "source-value" 107.404009571 "source-unit" "degree" } }