{ "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" [ [ 0.608629 0.630268 0.667973 ] [ 0.391371 0.369732 0.332027 ] [ 0.051031 0.190368 0.779593 ] [ 0.948969 0.809632 0.220407 ] [ 0.371577 0.570783 0.222975 ] [ 0.628423 0.429217 0.777025 ] [ 0.421108 0.171904 0.442499 ] [ 0.578892 0.828096 0.557501 ] [ 0.079631 0.285024 0.245671 ] [ 0.920369 0.714976 0.754329 ] [ 0.51594 0.239676 0.14185 ] [ 0.48406 0.760324 0.85815 ] [ 0.294218 0.517507 0.545927 ] [ 0.705782 0.482493 0.454073 ] [ 0.838942 0.616366 0.111096 ] [ 0.161058 0.383634 0.888904 ] [ 0.946096 0.20311 0.591371 ] [ 0.053904 0.79689 0.408629 ] [ 0.2464 0.055431 0.767778 ] [ 0.7536 0.944569 0.232222 ] [ 0.850583 0.112966 0.871603 ] [ 0.149417 0.887034 0.128397 ] ] } "species" { "source-value" [ "Re" "Re" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.21133659866 "source-unit" "angstrom" } "b" { "source-value" 9.35416989003 "source-unit" "angstrom" } "c" { "source-value" 9.87288730006 "source-unit" "angstrom" } "alpha" { "source-value" 102.105534479 "source-unit" "degree" } "beta" { "source-value" 96.7029394615 "source-unit" "degree" } "gamma" { "source-value" 94.7937732938 "source-unit" "degree" } }