{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.798666 0.795124 0.398776 ] [ 0.998997 0.330084 0.575915 ] [ 0.636421 0.259265 0.131676 ] [ 0.363579 0.740735 0.868324 ] [ 0.001003 0.669916 0.424085 ] [ 0.427286 0.91437 0.757665 ] [ 0.201334 0.204876 0.601224 ] [ 0.572714 0.08563 0.242335 ] [ 0.36972 0.695079 0.202799 ] [ 0.63028 0.304921 0.797201 ] [ 0.799388 0.333042 0.953093 ] [ 0.396638 0.156094 0.75443 ] [ 0.603362 0.843906 0.24557 ] [ 0.711656 0.426682 0.697402 ] [ 0.859008 0.728034 0.486436 ] [ 0.140992 0.271966 0.513564 ] [ 0.536655 0.220399 0.235421 ] [ 0.463345 0.779601 0.764579 ] [ 0.200612 0.666958 0.046907 ] [ 0.288344 0.573318 0.302598 ] ] } "species" { "source-value" [ "K" "Mg" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "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" 5.35742624832 "source-unit" "angstrom" } "b" { "source-value" 6.73464923181 "source-unit" "angstrom" } "c" { "source-value" 7.12883771588 "source-unit" "angstrom" } "alpha" { "source-value" 114.694428929 "source-unit" "degree" } "beta" { "source-value" 91.1008909518 "source-unit" "degree" } "gamma" { "source-value" 107.311946812 "source-unit" "degree" } }