{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.321328 0.059844 0.75 ] [ 0.821328 0.440156 0.25 ] [ 0.178672 0.559844 0.75 ] [ 0.678672 0.940156 0.25 ] [ 0.0737 0.098739 0.25 ] [ 0.5737 0.401261 0.75 ] [ 0.4263 0.598739 0.25 ] [ 0.9263 0.901261 0.75 ] [ 0.18307 0.052099 0.46113 ] [ 0.68307 0.447901 0.53887 ] [ 0.31693 0.552099 0.03887 ] [ 0.81693 0.947901 0.96113 ] [ 0.81693 0.947901 0.53887 ] [ 0.31693 0.552099 0.46113 ] [ 0.68307 0.447901 0.96113 ] [ 0.18307 0.052099 0.03887 ] [ 0.490968 0.195228 0.448179 ] [ 0.990968 0.304772 0.551821 ] [ 0.009032 0.695228 0.051821 ] [ 0.509032 0.804772 0.948179 ] [ 0.509032 0.804772 0.551821 ] [ 0.009032 0.695228 0.448179 ] [ 0.990968 0.304772 0.948179 ] [ 0.490968 0.195228 0.051821 ] [ 0.760135 0.196405 0.061973 ] [ 0.260135 0.303595 0.938027 ] [ 0.739865 0.696405 0.438027 ] [ 0.239865 0.803595 0.561973 ] [ 0.239865 0.803595 0.938027 ] [ 0.739865 0.696405 0.061973 ] [ 0.260135 0.303595 0.561973 ] [ 0.760135 0.196405 0.438027 ] [ 0.917297 0.138897 0.105869 ] [ 0.417297 0.361103 0.894131 ] [ 0.582703 0.638897 0.394131 ] [ 0.082703 0.861103 0.605869 ] [ 0.082703 0.861103 0.894131 ] [ 0.582703 0.638897 0.105869 ] [ 0.417297 0.361103 0.605869 ] [ 0.917297 0.138897 0.394131 ] [ 0.353682 0.085418 0.190862 ] [ 0.853682 0.414582 0.809138 ] [ 0.146318 0.585418 0.309138 ] [ 0.646318 0.914582 0.690862 ] [ 0.646318 0.914582 0.809138 ] [ 0.146318 0.585418 0.190862 ] [ 0.853682 0.414582 0.690862 ] [ 0.353682 0.085418 0.309138 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.21222507 "source-unit" "angstrom" } "b" { "source-value" 7.37401507 "source-unit" "angstrom" } "c" { "source-value" 10.88064591 "source-unit" "angstrom" } }