{ "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" [ [ 0.709896 0.654623 0.789791 ] [ 0.290104 0.345377 0.210209 ] [ 0 0 0 ] [ 0.770324 0.569246 0.282787 ] [ 0.229676 0.430754 0.717213 ] [ 0.676314 0.951263 0.319013 ] [ 0.236755 0.816222 0.716562 ] [ 0.180301 0.856265 0.376295 ] [ 0.373261 0.844107 0.189797 ] [ 0.626739 0.155893 0.810203 ] [ 0.819699 0.143735 0.623705 ] [ 0.763245 0.183778 0.283438 ] [ 0.323686 0.048737 0.680987 ] [ 0.312098 0.896109 0.783564 ] [ 0.235636 0.950436 0.233888 ] [ 0.680898 0.69217 0.448337 ] [ 0.97683 0.67056 0.127308 ] [ 0.122631 0.681788 0.624197 ] [ 0.426481 0.401884 0.846952 ] [ 0.573519 0.598116 0.153048 ] [ 0.877369 0.318212 0.375803 ] [ 0.02317 0.32944 0.872692 ] [ 0.319102 0.30783 0.551663 ] [ 0.764364 0.049564 0.766112 ] [ 0.687902 0.103891 0.216436 ] ] } "species" { "source-value" [ "Ca" "Ca" "Fe" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.98505332 "source-unit" "angstrom" } "b" { "source-value" 6.46598752 "source-unit" "angstrom" } "c" { "source-value" 6.89970001 "source-unit" "angstrom" } "alpha" { "source-value" 70.68889981 "source-unit" "degree" } "beta" { "source-value" 78.08335661 "source-unit" "degree" } "gamma" { "source-value" 75.94755591 "source-unit" "degree" } }