{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.248213 0.648826 ] [ 0.25 0.251787 0.148826 ] [ 0.75 0.748213 0.851174 ] [ 0.25 0.751787 0.351174 ] [ 0.75 0.07945 0.389675 ] [ 0.75 0.075728 0.886031 ] [ 0.25 0.424272 0.386031 ] [ 0.25 0.42055 0.889675 ] [ 0.75 0.57945 0.110325 ] [ 0.75 0.575727 0.613969 ] [ 0.25 0.924273 0.113969 ] [ 0.25 0.92055 0.610325 ] [ 0.25 0.020723 0.282943 ] [ 0.75 0.078679 0.078001 ] [ 0.25 0.129556 0.523504 ] [ 0.25 0.21013 0.817537 ] [ 0.75 0.28987 0.317537 ] [ 0.75 0.370444 0.023504 ] [ 0.25 0.421321 0.578001 ] [ 0.75 0.479277 0.782943 ] [ 0.25 0.520723 0.217057 ] [ 0.75 0.578679 0.421999 ] [ 0.25 0.629556 0.976496 ] [ 0.25 0.71013 0.682463 ] [ 0.75 0.78987 0.182463 ] [ 0.75 0.870444 0.476496 ] [ 0.25 0.921321 0.921999 ] [ 0.75 0.979277 0.717057 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "Tm" "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" 3.32779806 "source-unit" "angstrom" } "b" { "source-value" 9.85069756 "source-unit" "angstrom" } "c" { "source-value" 11.66279741 "source-unit" "angstrom" } }