{ "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" [ [ 0.182975 0.541566 0.679637 ] [ 0.817025 0.458434 0.320363 ] [ 0.389257 0.971318 0.786437 ] [ 0.610743 0.028682 0.213563 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.198704 0.753002 0.220695 ] [ 0.801296 0.246998 0.779305 ] [ 0.874215 0.801399 0.929743 ] [ 0.125785 0.198601 0.070257 ] [ 0.340162 0.31648 0.420559 ] [ 0.659838 0.68352 0.579441 ] [ 0.28198 0.003818 0.098245 ] [ 0.71802 0.996182 0.901755 ] [ 0.172882 0.502046 0.365594 ] [ 0.827118 0.497954 0.634406 ] [ 0.050479 0.842811 0.744236 ] [ 0.949521 0.157189 0.255764 ] [ 0.42738 0.300661 0.612368 ] [ 0.57262 0.699339 0.387632 ] [ 0.115819 0.810059 0.418852 ] [ 0.884181 0.189941 0.581148 ] [ 0.978119 0.774354 0.122629 ] [ 0.021881 0.225646 0.877371 ] [ 0.750925 0.899591 0.539586 ] [ 0.249075 0.100409 0.460414 ] [ 0.379753 0.695395 0.065455 ] [ 0.620247 0.304605 0.934545 ] [ 0.524553 0.347651 0.241582 ] [ 0.475447 0.652349 0.758418 ] [ 0.246809 0.399269 0.014289 ] [ 0.753191 0.600731 0.985711 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 6.61727737076 "source-unit" "angstrom" } "b" { "source-value" 7.3139868286 "source-unit" "angstrom" } "c" { "source-value" 7.62755005622 "source-unit" "angstrom" } "alpha" { "source-value" 69.5168957917 "source-unit" "degree" } "beta" { "source-value" 81.4600654808 "source-unit" "degree" } "gamma" { "source-value" 84.8376389785 "source-unit" "degree" } }