{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.637032 0.28108 0.472579 ] [ 0.862968 0.78108 0.027421 ] [ 0.362968 0.71892 0.527421 ] [ 0.137032 0.21892 0.972579 ] [ 0.17657 0.557768 0.8604 ] [ 0.32343 0.057768 0.6396 ] [ 0.82343 0.442232 0.1396 ] [ 0.67657 0.942232 0.3604 ] [ 0.883467 0.428578 0.694186 ] [ 0.616533 0.928578 0.805814 ] [ 0.116533 0.571422 0.305814 ] [ 0.383467 0.071422 0.194186 ] [ 0.704107 0.41512 0.547894 ] [ 0.795893 0.91512 0.952106 ] [ 0.295893 0.58488 0.452106 ] [ 0.204107 0.08488 0.047894 ] [ 0.826392 0.928608 0.720536 ] [ 0.673608 0.428608 0.779464 ] [ 0.173608 0.071392 0.279464 ] [ 0.326392 0.571392 0.220536 ] [ 0.062662 0.429277 0.858305 ] [ 0.437338 0.929277 0.641695 ] [ 0.937338 0.570723 0.141695 ] [ 0.562662 0.070723 0.358305 ] [ 0.083951 0.253545 0.634302 ] [ 0.416049 0.753545 0.865698 ] [ 0.916049 0.746455 0.365698 ] [ 0.583951 0.246455 0.134302 ] [ 0.080092 0.623518 0.639771 ] [ 0.419908 0.123518 0.860229 ] [ 0.919908 0.376482 0.360229 ] [ 0.580092 0.876482 0.139771 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "W" "W" "W" "W" "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" 7.51197876215 "source-unit" "angstrom" } "b" { "source-value" 3.95383225 "source-unit" "angstrom" } "c" { "source-value" 11.8605587769 "source-unit" "angstrom" } "beta" { "source-value" 107.561919999 "source-unit" "degree" } }