{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0 0.639266 0.875481 ] [ 0 0.360734 0.124519 ] [ 0.5 0.139266 0.624519 ] [ 0.5 0.860734 0.375481 ] [ 0.749761 0 0 ] [ 0.750239 0.5 0.5 ] [ 0.250239 0 0 ] [ 0.249761 0.5 0.5 ] [ 0.5 0.764654 0.753756 ] [ 0.5 0.235346 0.246244 ] [ 0 0.264654 0.746244 ] [ 0 0.735346 0.253756 ] [ 0 0.929808 0.798933 ] [ 0 0.070192 0.201067 ] [ 0.5 0.429808 0.701067 ] [ 0.5 0.570192 0.298933 ] [ 0.5 0.870543 0.924091 ] [ 0.5 0.129457 0.075909 ] [ 0 0.370543 0.575909 ] [ 0 0.629457 0.424091 ] [ 0 0.883988 0.901662 ] [ 0 0.116012 0.098338 ] [ 0.5 0.383988 0.598338 ] [ 0.5 0.616012 0.401662 ] [ 0.5 0.895551 0.604867 ] [ 0.5 0.104449 0.395133 ] [ 0 0.395551 0.895133 ] [ 0 0.604449 0.104867 ] [ 0.727955 0.646782 0.743429 ] [ 0.727955 0.353218 0.256571 ] [ 0.772045 0.146782 0.756571 ] [ 0.772045 0.853218 0.243429 ] [ 0.272045 0.353218 0.256571 ] [ 0.272045 0.646782 0.743429 ] [ 0.227955 0.853218 0.243429 ] [ 0.227955 0.146782 0.756571 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Cu" "Cu" "Cu" "Cu" "As" "As" "As" "As" "H" "H" "H" "H" "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" 6.01506374 "source-unit" "angstrom" } "b" { "source-value" 8.68327074 "source-unit" "angstrom" } "c" { "source-value" 8.7511122 "source-unit" "angstrom" } }