{ "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" [ [ 0.65171 0.75 0.708145 ] [ 0.15171 0.25 0.791855 ] [ 0.34829 0.25 0.291855 ] [ 0.84829 0.75 0.208145 ] [ 0.194064 0.75 0.749422 ] [ 0.694064 0.25 0.750578 ] [ 0.805936 0.25 0.250578 ] [ 0.305936 0.75 0.249422 ] [ 0.474398 0.75 0.98358 ] [ 0.974398 0.25 0.51642 ] [ 0.525602 0.25 0.01642 ] [ 0.025602 0.75 0.48358 ] [ 0.799115 0.944308 0.923183 ] [ 0.299115 0.055692 0.576817 ] [ 0.200885 0.444308 0.076817 ] [ 0.700885 0.555692 0.423183 ] [ 0.200885 0.055692 0.076817 ] [ 0.700885 0.944308 0.423183 ] [ 0.799115 0.555692 0.923183 ] [ 0.299115 0.444308 0.576817 ] [ 0.414423 0.75 0.505623 ] [ 0.914423 0.25 0.994377 ] [ 0.585577 0.25 0.494377 ] [ 0.085577 0.75 0.005623 ] [ 0.928377 0.515477 0.669991 ] [ 0.428377 0.484523 0.830009 ] [ 0.071623 0.015477 0.330009 ] [ 0.571623 0.984523 0.169991 ] [ 0.071623 0.484523 0.330009 ] [ 0.571623 0.515477 0.169991 ] [ 0.928377 0.984523 0.669991 ] [ 0.428377 0.015477 0.830009 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33441854 "source-unit" "angstrom" } "b" { "source-value" 7.39880671 "source-unit" "angstrom" } "c" { "source-value" 9.2603968 "source-unit" "angstrom" } }