{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.352656 0.25 ] [ 0 0.647344 0.75 ] [ 0.5 0.852656 0.25 ] [ 0.5 0.147344 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.264411 0.966477 0.25 ] [ 0.264411 0.033523 0.75 ] [ 0 0.75611 0.554742 ] [ 0 0.24389 0.054742 ] [ 0 0.75611 0.945258 ] [ 0 0.24389 0.445258 ] [ 0.735589 0.033523 0.75 ] [ 0.735589 0.966477 0.25 ] [ 0.764411 0.466477 0.25 ] [ 0.764411 0.533523 0.75 ] [ 0.5 0.25611 0.554742 ] [ 0.5 0.74389 0.054742 ] [ 0.5 0.25611 0.945258 ] [ 0.5 0.74389 0.445258 ] [ 0.235589 0.533523 0.75 ] [ 0.235589 0.466477 0.25 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Ag" "Ag" "Ag" "Ag" "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" 5.86423812 "source-unit" "angstrom" } "b" { "source-value" 8.4597461 "source-unit" "angstrom" } "c" { "source-value" 7.10952302 "source-unit" "angstrom" } }