{ "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" [ [ 0.858708 0.453874 0.881068 ] [ 0.04798 0.467245 0.215388 ] [ 0.536948 0.641005 0.432941 ] [ 0.031448 0.946457 0.69573 ] [ 0.44686 0.64537 0.749092 ] [ 0.381931 0.272718 0.994643 ] [ 0.178151 0.059333 0.113846 ] [ 0.530953 0.25351 0.380069 ] [ 0.080803 0.875768 0.364387 ] [ 0.48936 0.637429 0.084851 ] [ 0.009767 0.563356 0.554078 ] [ 0.312351 0.247493 0.677301 ] [ 0.517065 0.953783 0.864073 ] [ 0.233407 0.912596 0.898212 ] [ 0.008316 0.222122 0.065507 ] [ 0.808625 0.452071 0.3856 ] [ 0.505649 0.134611 0.154314 ] [ 0.286527 0.42636 0.384036 ] [ 0.403877 0.764301 0.281727 ] [ 0.308382 0.042498 0.517836 ] [ 0.962869 0.982225 0.227434 ] [ 0.661908 0.707316 0.950038 ] [ 0.193305 0.514768 0.019894 ] [ 0.685574 0.458657 0.09615 ] [ 0.254572 0.741107 0.58544 ] [ 0.105902 0.466235 0.697053 ] [ 0.762682 0.729091 0.640762 ] [ 0.572017 0.110961 0.80292 ] [ 0.090399 0.213429 0.811006 ] [ 0.599465 0.379807 0.690203 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.01652345 "source-unit" "angstrom" } "b" { "source-value" 10.72862561 "source-unit" "angstrom" } "c" { "source-value" 12.48975814 "source-unit" "angstrom" } "alpha" { "source-value" 109.2010993 "source-unit" "degree" } "beta" { "source-value" 90.59944008 "source-unit" "degree" } "gamma" { "source-value" 91.91375961 "source-unit" "degree" } }