{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.998564 0.885191 0.261191 ] [ 0.998564 0.114809 0.761191 ] [ 0.498564 0.385191 0.261191 ] [ 0.498564 0.614809 0.761191 ] [ 0.258108 0.842446 0.057363 ] [ 0.156058 0.144737 0.112993 ] [ 0.733375 0.910626 0.38498 ] [ 0.733375 0.089374 0.88498 ] [ 0.258108 0.157554 0.557363 ] [ 0.156058 0.855263 0.612993 ] [ 0.078714 0.275726 0.487402 ] [ 0.078714 0.724274 0.987402 ] [ 0.758108 0.342446 0.057363 ] [ 0.656058 0.644737 0.112993 ] [ 0.233375 0.410626 0.38498 ] [ 0.233375 0.589374 0.88498 ] [ 0.758108 0.657554 0.557363 ] [ 0.656058 0.355263 0.612993 ] [ 0.578714 0.775726 0.487402 ] [ 0.578714 0.224274 0.987402 ] [ 0.140135 0.877212 0.015414 ] [ 0.816426 0.025333 0.434826 ] [ 0.816426 0.974667 0.934826 ] [ 0.140135 0.122788 0.515414 ] [ 0.172768 0.240019 0.202489 ] [ 0.798561 0.192506 0.312438 ] [ 0.798561 0.807494 0.812438 ] [ 0.172768 0.759981 0.702489 ] [ 0.990646 0.511033 0.46125 ] [ 0.984389 0.431579 0.09562 ] [ 0.984389 0.568421 0.59562 ] [ 0.990646 0.488967 0.96125 ] [ 0.640135 0.377212 0.015414 ] [ 0.316426 0.525333 0.434826 ] [ 0.316426 0.474667 0.934826 ] [ 0.640135 0.622788 0.515414 ] [ 0.672768 0.740019 0.202489 ] [ 0.298561 0.692506 0.312438 ] [ 0.298561 0.307494 0.812438 ] [ 0.672768 0.259981 0.702489 ] [ 0.490646 0.011033 0.46125 ] [ 0.484389 0.931579 0.09562 ] [ 0.484389 0.068421 0.59562 ] [ 0.490646 0.988967 0.96125 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.44791892266 "source-unit" "angstrom" } "b" { "source-value" 5.8529707 "source-unit" "angstrom" } "c" { "source-value" 9.3884425819 "source-unit" "angstrom" } "beta" { "source-value" 106.952076363 "source-unit" "degree" } }