{ "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" [ [ 0.55508 0.402178 0.753269 ] [ 0.44492 0.597822 0.246731 ] [ 0.096853 0.246968 0.270255 ] [ 0.903147 0.753032 0.729745 ] [ 0.008793 0.945824 0.179831 ] [ 0.991207 0.054176 0.820169 ] [ 0.095019 0.612358 0.04607 ] [ 0.904981 0.387642 0.95393 ] [ 0.695145 0.193406 0.422843 ] [ 0.304855 0.806594 0.577157 ] [ 0.723818 0.812332 0.472272 ] [ 0.276182 0.187668 0.527728 ] [ 0.435394 0.978315 0.726438 ] [ 0.564606 0.021685 0.273562 ] [ 0.253704 0.048443 0.933011 ] [ 0.746296 0.951557 0.066989 ] [ 0.164455 0.975728 0.155904 ] [ 0.835545 0.024272 0.844096 ] [ 0.226652 0.494149 0.068136 ] [ 0.773348 0.505851 0.931864 ] [ 0.752977 0.325364 0.4097 ] [ 0.247023 0.674636 0.5903 ] [ 0.665138 0.788598 0.61035 ] [ 0.334862 0.211402 0.38965 ] [ 0.308304 0.103177 0.789302 ] [ 0.691696 0.896823 0.210698 ] ] } "species" { "source-value" [ "Sr" "Sr" "Zn" "Zn" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "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" 6.25379547 "source-unit" "angstrom" } "b" { "source-value" 6.36218143 "source-unit" "angstrom" } "c" { "source-value" 7.82673613 "source-unit" "angstrom" } "alpha" { "source-value" 74.55343532 "source-unit" "degree" } "beta" { "source-value" 66.58183185 "source-unit" "degree" } "gamma" { "source-value" 72.30159096 "source-unit" "degree" } }