{ "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" [ [ 0.57785 0.654852 0.651609 ] [ 0 0.5 0.5 ] [ 0.42215 0.345148 0.348391 ] [ 0.28523 0.067511 0.06792 ] [ 0.71477 0.932489 0.93208 ] [ 0.352984 0.212797 0.712196 ] [ 0.647016 0.787203 0.287804 ] [ 0.075978 0.640817 0.146308 ] [ 0.785708 0.073296 0.568682 ] [ 0.5 0.5 0 ] [ 0.214292 0.926704 0.431318 ] [ 0.924022 0.359183 0.853692 ] [ 0.256558 0.465717 0.77459 ] [ 0.679294 0.330871 0.625654 ] [ 0.320706 0.669129 0.374346 ] [ 0.105416 0.179733 0.488252 ] [ 0.743442 0.534283 0.22541 ] [ 0.467944 0.960837 0.649494 ] [ 0.402205 0.751849 0.062872 ] [ 0.894584 0.820267 0.511748 ] [ 0.532056 0.039163 0.350506 ] [ 0.197545 0.390407 0.077333 ] [ 0.802455 0.609593 0.922667 ] [ 0.597795 0.248151 0.937128 ] [ 0.982911 0.895787 0.206464 ] [ 0.017089 0.104213 0.793536 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "V" "V" "V" "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" 5.2006635 "source-unit" "angstrom" } "b" { "source-value" 7.26682945 "source-unit" "angstrom" } "c" { "source-value" 8.39236101 "source-unit" "angstrom" } "alpha" { "source-value" 90.59617121 "source-unit" "degree" } "beta" { "source-value" 102.66111688 "source-unit" "degree" } "gamma" { "source-value" 98.17344884 "source-unit" "degree" } }