{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.001898 0.75 0.332221 ] [ 0.00034 0 0 ] [ 0.00034 0.5 0 ] [ 0.001898 0.25 0.667779 ] [ 0.501898 0.75 0.832221 ] [ 0.50034 0 0.5 ] [ 0.50034 0.5 0.5 ] [ 0.501898 0.25 0.167779 ] [ 0.995641 0.38749 0.336429 ] [ 0.995641 0.11251 0.336429 ] [ 0.995641 0.88749 0.663571 ] [ 0.995641 0.61251 0.663571 ] [ 0.495641 0.38749 0.836429 ] [ 0.495641 0.11251 0.836429 ] [ 0.495641 0.88749 0.163571 ] [ 0.495641 0.61251 0.163571 ] [ 0.757456 0.001617 0.250426 ] [ 0.757456 0.498383 0.250426 ] [ 0.264628 0.25 0.914172 ] [ 0.002367 0.25 0.182878 ] [ 0.729176 0.25 0.911071 ] [ 0.757456 0.998383 0.749574 ] [ 0.757456 0.501617 0.749574 ] [ 0.264628 0.75 0.085828 ] [ 0.506239 0 0 ] [ 0.506239 0.5 0 ] [ 0.002367 0.75 0.817122 ] [ 0.729176 0.75 0.088929 ] [ 0.257456 0.001617 0.750426 ] [ 0.257456 0.498383 0.750426 ] [ 0.764628 0.25 0.414172 ] [ 0.502367 0.25 0.682878 ] [ 0.229176 0.25 0.411071 ] [ 0.257456 0.998383 0.249574 ] [ 0.257456 0.501617 0.249574 ] [ 0.764628 0.75 0.585828 ] [ 0.006239 0 0.5 ] [ 0.006239 0.5 0.5 ] [ 0.502367 0.75 0.317122 ] [ 0.229176 0.75 0.588929 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" 5.57572696 "source-unit" "angstrom" } "b" { "source-value" 9.2799642 "source-unit" "angstrom" } "c" { "source-value" 9.5672416 "source-unit" "angstrom" } }