{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.279768 0.037807 0.004055 ] [ 0.41598 0.500772 0.333556 ] [ 0.58402 0.000772 0.666444 ] [ 0.720232 0.537807 0.995945 ] [ 0.915901 0.000491 0.333735 ] [ 0.084099 0.500491 0.666265 ] [ 0.469858 0.726013 0.980782 ] [ 0.530142 0.226013 0.019218 ] [ 0.267253 0.807958 0.641245 ] [ 0.401017 0.308053 0.691262 ] [ 0.286112 0.911891 0.114796 ] [ 0.453819 0.589198 0.449094 ] [ 0.619534 0.912516 0.782354 ] [ 0.380466 0.412516 0.217646 ] [ 0.546181 0.089198 0.550906 ] [ 0.713888 0.411891 0.885204 ] [ 0.598983 0.808053 0.308738 ] [ 0.767997 0.692831 0.642026 ] [ 0.959614 0.766718 0.977853 ] [ 0.732747 0.307958 0.358755 ] [ 0.900416 0.192795 0.691327 ] [ 0.817092 0.555952 0.115572 ] [ 0.953149 0.910538 0.449112 ] [ 0.125588 0.586468 0.782434 ] [ 0.874412 0.086468 0.217566 ] [ 0.046851 0.410538 0.550888 ] [ 0.182908 0.055952 0.884428 ] [ 0.099584 0.692795 0.308673 ] [ 0.040386 0.266718 0.022147 ] [ 0.232003 0.192831 0.357974 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.42271272 "source-unit" "angstrom" } "b" { "source-value" 5.27472278 "source-unit" "angstrom" } "c" { "source-value" 14.93741325 "source-unit" "angstrom" } "beta" { "source-value" 100.23461929 "source-unit" "degree" } }