{ "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" [ [ 0.77514 0.267456 0.947546 ] [ 0.22486 0.732544 0.052454 ] [ 0.617366 0.389883 0.588697 ] [ 0.382634 0.610117 0.411303 ] [ 0.842512 0.08331 0.288067 ] [ 0.157488 0.91669 0.711933 ] [ 0.890255 0.71916 0.302535 ] [ 0.109745 0.28084 0.697465 ] [ 0.320488 0.20874 0.182425 ] [ 0.679512 0.79126 0.817575 ] [ 0.039773 0.438935 0.83227 ] [ 0.960227 0.561065 0.16773 ] [ 0.441775 0.052156 0.199628 ] [ 0.558225 0.947844 0.800372 ] [ 0.061062 0.727468 0.474436 ] [ 0.938938 0.272532 0.525564 ] [ 0.99631 0.117587 0.715401 ] [ 0.00369 0.882413 0.284599 ] [ 0.43268 0.367177 0.358414 ] [ 0.56732 0.632823 0.641586 ] [ 0.608039 0.743257 0.950183 ] [ 0.391961 0.256743 0.049817 ] [ 0.421034 0.288332 0.704752 ] [ 0.578966 0.711668 0.295248 ] [ 0.999442 0.829354 0.851946 ] [ 0.000558 0.170646 0.148054 ] ] } "species" { "source-value" [ "Ca" "Ca" "Zn" "Zn" "Zn" "Zn" "P" "P" "P" "P" "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" 5.04255695405 "source-unit" "angstrom" } "b" { "source-value" 8.53745980385 "source-unit" "angstrom" } "c" { "source-value" 9.08796752839 "source-unit" "angstrom" } "alpha" { "source-value" 113.476303345 "source-unit" "degree" } "beta" { "source-value" 102.211319271 "source-unit" "degree" } "gamma" { "source-value" 94.0964332905 "source-unit" "degree" } }