{ "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" [ [ 0.597806 0.540545 0.34234 ] [ 0.343323 0.746574 0.165057 ] [ 0.779345 0.885439 0.259029 ] [ 0.528849 0.186994 0.103492 ] [ 0.220655 0.114561 0.740971 ] [ 0.402194 0.459455 0.65766 ] [ 0.471151 0.813006 0.896508 ] [ 0.70518 0.567598 0.044466 ] [ 0.29482 0.432402 0.955534 ] [ 0.656677 0.253426 0.834943 ] [ 0.48182 0.299091 0.936555 ] [ 0.51818 0.700909 0.063445 ] [ 0.452687 0.361096 0.833538 ] [ 0.547313 0.638904 0.166462 ] [ 0.205912 0.906275 0.937181 ] [ 0.103274 0.187726 0.465522 ] [ 0.149509 0.554427 0.703474 ] [ 0.404925 0.968283 0.645544 ] [ 0.715193 0.733808 0.822046 ] [ 0.284807 0.266192 0.177954 ] [ 0.850491 0.445573 0.296526 ] [ 0.896726 0.812274 0.534478 ] [ 0.358304 0.630064 0.412999 ] [ 0.055701 0.833688 0.220924 ] [ 0.794088 0.093725 0.062819 ] [ 0.641696 0.369936 0.587001 ] [ 0.944299 0.166312 0.779076 ] [ 0.595075 0.031717 0.354456 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "La" "La" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.9348687879 "source-unit" "angstrom" } "b" { "source-value" 10.824964336 "source-unit" "angstrom" } "c" { "source-value" 11.950647159 "source-unit" "angstrom" } "alpha" { "source-value" 93.7036257551 "source-unit" "degree" } "beta" { "source-value" 114.457171405 "source-unit" "degree" } "gamma" { "source-value" 109.237395558 "source-unit" "degree" } }