{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.71306 0.168046 0.094675 ] [ 0.21306 0.331954 0.905325 ] [ 0.28694 0.668046 0.405325 ] [ 0.78694 0.831954 0.594675 ] [ 0.968309 0.136911 0.424723 ] [ 0.2534 0.220758 0.206502 ] [ 0.7534 0.279242 0.793498 ] [ 0.468309 0.363089 0.575277 ] [ 0.031691 0.636911 0.075277 ] [ 0.7466 0.720758 0.293498 ] [ 0.2466 0.779242 0.706502 ] [ 0.531691 0.863089 0.924723 ] [ 0.110075 0.995749 0.336528 ] [ 0.0305 0.023339 0.157495 ] [ 0.52546 0.026234 0.201442 ] [ 0.43372 0.117423 0.983582 ] [ 0.880449 0.121122 0.879157 ] [ 0.735476 0.170185 0.54685 ] [ 0.235476 0.329815 0.45315 ] [ 0.380449 0.378878 0.120843 ] [ 0.93372 0.382577 0.016418 ] [ 0.02546 0.473766 0.798558 ] [ 0.5305 0.476661 0.842505 ] [ 0.610075 0.504251 0.663472 ] [ 0.889925 0.495749 0.163472 ] [ 0.9695 0.523339 0.342505 ] [ 0.47454 0.526234 0.298558 ] [ 0.56628 0.617423 0.516418 ] [ 0.119551 0.621122 0.620843 ] [ 0.264524 0.670185 0.95315 ] [ 0.764524 0.829815 0.04685 ] [ 0.619551 0.878878 0.379157 ] [ 0.06628 0.882577 0.483582 ] [ 0.97454 0.973766 0.701442 ] [ 0.4695 0.976661 0.657495 ] [ 0.389925 0.004251 0.836528 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "I" "I" "I" "I" "I" "I" "I" "I" "O" "O" "O" "O" "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" 5.39032359 "source-unit" "angstrom" } "b" { "source-value" 5.70445961 "source-unit" "angstrom" } "c" { "source-value" 17.26379043 "source-unit" "angstrom" } }