{ "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" [ [ 0.199829 0.245784 0.597649 ] [ 0.733886 0.266851 0.079025 ] [ 0.266114 0.733149 0.920975 ] [ 0.800171 0.754216 0.402351 ] [ 0.732512 0.771739 0.086043 ] [ 0.731422 0.229342 0.424005 ] [ 0.267488 0.228261 0.913957 ] [ 0.268578 0.770658 0.575995 ] [ 0.750143 0.970198 0.74681 ] [ 0.249857 0.029802 0.25319 ] [ 0.636581 0.310452 0.800819 ] [ 0.657755 0.656025 0.712242 ] [ 0.311859 0.633211 0.341262 ] [ 0.846276 0.570025 0.793692 ] [ 0.342245 0.343975 0.287758 ] [ 0.153724 0.429975 0.206308 ] [ 0.688141 0.366789 0.658738 ] [ 0.363419 0.689548 0.199181 ] [ 0.748531 0.277277 0.730017 ] [ 0.843543 0.355402 0.457592 ] [ 0.567609 0.666018 0.080412 ] [ 0.891977 0.119342 0.314585 ] [ 0.389538 0.082855 0.818869 ] [ 0.191881 0.107319 0.052885 ] [ 0.432391 0.333982 0.919588 ] [ 0.610462 0.917145 0.181131 ] [ 0.944982 0.615908 0.139222 ] [ 0.719024 0.677331 0.773677 ] [ 0.496215 0.637379 0.624874 ] [ 0.503785 0.362621 0.375126 ] [ 0.055018 0.384092 0.860778 ] [ 0.679369 0.069244 0.549444 ] [ 0.280976 0.322669 0.226323 ] [ 0.156457 0.644598 0.542408 ] [ 0.808119 0.892681 0.947115 ] [ 0.251469 0.722723 0.269983 ] [ 0.320631 0.930756 0.450556 ] [ 0.108023 0.880658 0.685415 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Cr" "Cr" "Cr" "Cr" "Cd" "Cd" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.898466629 "source-unit" "angstrom" } "b" { "source-value" 7.92149305462 "source-unit" "angstrom" } "c" { "source-value" 11.6171077137 "source-unit" "angstrom" } "alpha" { "source-value" 72.6901281973 "source-unit" "degree" } "beta" { "source-value" 75.4348578724 "source-unit" "degree" } "gamma" { "source-value" 68.5928354011 "source-unit" "degree" } }