{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.308402 0.958298 0.921905 ] [ 0.808402 0.041702 0.578095 ] [ 0.691598 0.458298 0.078095 ] [ 0.191598 0.541702 0.421905 ] [ 0.691598 0.041702 0.078095 ] [ 0.191598 0.958298 0.421905 ] [ 0.308402 0.541702 0.921905 ] [ 0.808402 0.458298 0.578095 ] [ 0.680893 0.75 0.772365 ] [ 0.180893 0.25 0.727635 ] [ 0.319107 0.25 0.227635 ] [ 0.819107 0.75 0.272365 ] [ 0.153673 0.75 0.707097 ] [ 0.653673 0.25 0.792903 ] [ 0.846327 0.25 0.292903 ] [ 0.346327 0.75 0.207097 ] [ 0.535582 0.75 0.495325 ] [ 0.035582 0.25 0.004675 ] [ 0.464418 0.25 0.504675 ] [ 0.964418 0.75 0.995325 ] [ 0.938349 0.011673 0.828995 ] [ 0.438349 0.988327 0.671005 ] [ 0.061651 0.511673 0.171005 ] [ 0.561651 0.488327 0.328995 ] [ 0.061651 0.988327 0.171005 ] [ 0.561651 0.011673 0.328995 ] [ 0.938349 0.488327 0.828995 ] [ 0.438349 0.511673 0.671005 ] [ 0.576845 0.75 0.015377 ] [ 0.076845 0.25 0.484623 ] [ 0.423155 0.25 0.984623 ] [ 0.923155 0.75 0.515377 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.31598274 "source-unit" "angstrom" } "b" { "source-value" 9.58859709 "source-unit" "angstrom" } "c" { "source-value" 12.64362028 "source-unit" "angstrom" } }