{ "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" [ [ 0.000635 0.511454 0.994608 ] [ 0.539504 0.813496 0.832583 ] [ 0.501283 0.51546 0.513354 ] [ 0.498717 0.01546 0.486646 ] [ 0.460496 0.313496 0.167417 ] [ 0.999365 0.011454 0.005392 ] [ 0.991487 0.25354 0.703579 ] [ 0.008513 0.75354 0.296421 ] [ 0.020122 0.75931 0.656362 ] [ 0.979878 0.25931 0.343638 ] [ 0.512213 0.259098 0.853691 ] [ 0.487787 0.759098 0.146309 ] [ 0.687665 0.260028 0.954227 ] [ 0.27657 0.249207 0.894167 ] [ 0.926305 0.939484 0.751649 ] [ 0.962501 0.567263 0.746464 ] [ 0.568151 0.263958 0.715751 ] [ 0.30243 0.779198 0.626537 ] [ 0.865752 0.753904 0.50939 ] [ 0.134248 0.253904 0.49061 ] [ 0.69757 0.279198 0.373463 ] [ 0.431849 0.763958 0.284249 ] [ 0.037499 0.067263 0.253536 ] [ 0.073695 0.439484 0.248351 ] [ 0.72343 0.749207 0.105833 ] [ 0.312335 0.760028 0.045773 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "P" "P" "C" "C" "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" 5.33014408 "source-unit" "angstrom" } "b" { "source-value" 6.70510983 "source-unit" "angstrom" } "c" { "source-value" 9.09796293 "source-unit" "angstrom" } "beta" { "source-value" 90.51786946 "source-unit" "degree" } }