{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.685931 0.5 ] [ 0.5 0.314069 0 ] [ 0 0.314069 0.5 ] [ 0.5 0.685931 0 ] [ 0.435642 0.215576 0.222207 ] [ 0.935642 0.784424 0.277793 ] [ 0.564358 0.215576 0.777793 ] [ 0.064358 0.784424 0.722207 ] [ 0.935642 0.215576 0.277793 ] [ 0.435642 0.784424 0.222207 ] [ 0.064358 0.215576 0.722207 ] [ 0.564358 0.784424 0.777793 ] [ 0.091627 0.5 0.125838 ] [ 0.591627 0.5 0.374162 ] [ 0.908373 0.5 0.874162 ] [ 0.408373 0.5 0.625838 ] [ 0.77383 0 0.098074 ] [ 0.27383 0 0.401926 ] [ 0.22617 0 0.901926 ] [ 0.72617 0 0.598074 ] [ 0.411308 0.825307 0.895539 ] [ 0.911308 0.174693 0.604461 ] [ 0.588692 0.825307 0.104461 ] [ 0.088692 0.174693 0.395539 ] [ 0.588692 0.174693 0.104461 ] [ 0.088692 0.825307 0.395539 ] [ 0.411308 0.174693 0.895539 ] [ 0.911308 0.825307 0.604461 ] [ 0.343931 0.675947 0.699674 ] [ 0.843931 0.324053 0.800326 ] [ 0.656069 0.675947 0.300326 ] [ 0.156069 0.324053 0.199674 ] [ 0.656069 0.324053 0.300326 ] [ 0.156069 0.675947 0.199674 ] [ 0.343931 0.324053 0.699674 ] [ 0.843931 0.675947 0.800326 ] [ 0.83914 0 0.218621 ] [ 0.33914 0 0.281379 ] [ 0.16086 0 0.781379 ] [ 0.66086 0 0.718621 ] [ 0.666873 0.5 0.940806 ] [ 0.166873 0.5 0.559194 ] [ 0.333127 0.5 0.059194 ] [ 0.833127 0.5 0.440806 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "As" "As" "As" "As" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.26716437 "source-unit" "angstrom" } "b" { "source-value" 7.96645561 "source-unit" "angstrom" } "c" { "source-value" 14.58860801 "source-unit" "angstrom" } }