{ "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" [ [ 0.150057 0.663945 0.393301 ] [ 0.997343 0.002547 0.998292 ] [ 0.560813 0.385429 0.2118 ] [ 0.912883 0.410563 0.716201 ] [ 0.345508 0.192019 0.69474 ] [ 0.630534 0.812471 0.371538 ] [ 0.590667 0.225844 0.139996 ] [ 0.035294 0.474431 0.89283 ] [ 0.317274 0.236674 0.55545 ] [ 0.732456 0.860841 0.549261 ] [ 0.413707 0.05358 0.058141 ] [ 0.799093 0.236127 0.148262 ] [ 0.104617 0.334947 0.96898 ] [ 0.094563 0.678471 0.006415 ] [ 0.191036 0.08075 0.367121 ] [ 0.408815 0.433651 0.589154 ] [ 0.634447 0.941292 0.664958 ] [ 0.943381 0.833972 0.630352 ] [ 0.670711 0.752847 0.992407 ] ] } "species" { "source-value" [ "K" "Y" "H" "H" "H" "H" "C" "C" "C" "C" "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" 6.25021255 "source-unit" "angstrom" } "b" { "source-value" 6.67613381 "source-unit" "angstrom" } "c" { "source-value" 7.36286578 "source-unit" "angstrom" } "alpha" { "source-value" 108.02460497 "source-unit" "degree" } "beta" { "source-value" 113.67807185 "source-unit" "degree" } "gamma" { "source-value" 97.94563309 "source-unit" "degree" } }