{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.563087 0.000385 ] [ 0.5 0.436913 0.500385 ] [ 0 0.939429 0.78341 ] [ 0.5 0.060571 0.28341 ] [ 0 0.582809 0.303894 ] [ 0.5 0.417191 0.803894 ] [ 0 0.318205 0.260264 ] [ 0.5 0.681795 0.760264 ] [ 0 0.252981 0.902587 ] [ 0.5 0.747019 0.402587 ] [ 0 0.903597 0.085901 ] [ 0.5 0.096403 0.585901 ] [ 0 0.938886 0.47976 ] [ 0.5 0.061114 0.97976 ] [ 0 0.27474 0.672354 ] [ 0.5 0.72526 0.172354 ] [ 0 0.695146 0.574645 ] [ 0.5 0.304854 0.074645 ] [ 0 0.524031 0.71784 ] [ 0.5 0.475969 0.21784 ] [ 0 0.815664 0.288398 ] [ 0.5 0.184336 0.788398 ] [ 0 0.157363 0.089259 ] [ 0.5 0.842637 0.589259 ] [ 0 0.184964 0.472503 ] [ 0.5 0.815036 0.972503 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "P" "P" "P" "P" "P" "P" "P" "P" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.77270867 "source-unit" "angstrom" } "b" { "source-value" 9.26319628 "source-unit" "angstrom" } "c" { "source-value" 10.47778153 "source-unit" "angstrom" } }