{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nm" } "basis-atom-coordinates" { "source-value" [ [ 0.996013 0.176045 0.248469 ] [ 0.496013 0.823955 0.251531 ] [ 0.024103 0.674188 0.377863 ] [ 0.524103 0.325812 0.122137 ] [ 0.524103 0.325812 0.877863 ] [ 0.024103 0.674188 0.622137 ] [ 0.496013 0.823955 0.748469 ] [ 0.996013 0.176045 0.751531 ] [ 0.534396 0.19494 0.5 ] [ 0.034396 0.80506 0 ] [ 0.452927 0.638388 0.145261 ] [ 0.354403 0.733445 0.363082 ] [ 0.854403 0.266555 0.136918 ] [ 0.854403 0.266555 0.863082 ] [ 0.849676 0.87329 0.718296 ] [ 0.349676 0.12671 0.781704 ] [ 0.349676 0.12671 0.218296 ] [ 0.849676 0.87329 0.281704 ] [ 0.952927 0.361612 0.645261 ] [ 0.452927 0.638388 0.854739 ] [ 0.91716 0.760715 0.5 ] [ 0.41716 0.239285 0 ] [ 0.354403 0.733445 0.636918 ] [ 0.952927 0.361612 0.354739 ] ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" "Pb" "Pb" "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" 4.2916905 "source-unit" "angstrom" } "b" { "source-value" 4.50342662 "source-unit" "angstrom" } "c" { "source-value" 10.97302073 "source-unit" "angstrom" } }