{ "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" [ [ 0.800166 0.720254 0.56551 ] [ 0.199834 0.279746 0.43449 ] [ 0.79777 0.889602 0.106074 ] [ 0.20223 0.110398 0.893926 ] [ 0.704724 0.305588 0.103867 ] [ 0.295276 0.694412 0.896133 ] [ 0.2983 0.767597 0.28182 ] [ 0.7017 0.232403 0.71818 ] [ 0.788722 0.466361 0.252297 ] [ 0.211278 0.533639 0.747703 ] [ 0.569975 0.768428 0.894063 ] [ 0.430025 0.231572 0.105937 ] [ 0.295467 0.649947 0.418395 ] [ 0.704533 0.350053 0.581605 ] [ 0.731502 0.367613 0.915782 ] [ 0.268498 0.632387 0.084218 ] [ 0.452812 0.115367 0.703193 ] [ 0.547188 0.884633 0.296807 ] [ 0.927785 0.115423 0.704003 ] [ 0.072215 0.884577 0.295997 ] [ 0.115239 0.84887 0.902646 ] [ 0.884761 0.15113 0.097354 ] ] } "species" { "source-value" [ "Ba" "Ba" "Zn" "Zn" "P" "P" "P" "P" "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" 5.38061082532 "source-unit" "angstrom" } "b" { "source-value" 7.59433458338 "source-unit" "angstrom" } "c" { "source-value" 7.68512446089 "source-unit" "angstrom" } "alpha" { "source-value" 102.731200223 "source-unit" "degree" } "beta" { "source-value" 93.1184237982 "source-unit" "degree" } "gamma" { "source-value" 94.0023276315 "source-unit" "degree" } }