{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.08058 0.581938 0.825233 ] [ 0.777187 0.275971 0.456934 ] [ 0.355548 0.848122 0.294814 ] [ 0.926194 0.432205 0.144341 ] [ 0.513674 0.010496 0.971001 ] [ 0.004491 0.006428 0.006336 ] [ 0.570138 0.568556 0.854451 ] [ 0.141874 0.1426 0.718549 ] [ 0.711198 0.716091 0.570033 ] [ 0.292125 0.29908 0.435719 ] [ 0.852437 0.85543 0.284101 ] [ 0.425116 0.425972 0.140636 ] [ 0.57392 0.356 0.972992 ] [ 0.001514 0.228014 0.901627 ] [ 0.150145 0.931177 0.83668 ] [ 0.571175 0.78526 0.741966 ] [ 0.134779 0.339304 0.593098 ] [ 0.7171 0.499597 0.684871 ] [ 0.704528 0.929328 0.450909 ] [ 0.275733 0.507255 0.299491 ] [ 0.847269 0.635848 0.396019 ] [ 0.433181 0.212055 0.265384 ] [ 0.851608 0.075383 0.173354 ] [ 0.008513 0.787304 0.12016 ] [ 0.420433 0.642368 0.021539 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" 6.81287117 "source-unit" "angstrom" } "b" { "source-value" 6.86750861 "source-unit" "angstrom" } "c" { "source-value" 7.60901792 "source-unit" "angstrom" } "alpha" { "source-value" 98.48897082 "source-unit" "degree" } "beta" { "source-value" 99.74751466 "source-unit" "degree" } "gamma" { "source-value" 103.82431037 "source-unit" "degree" } }