{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0.885065 0 0 ] [ 0.872163 0 0.5 ] [ 0.122586 0.255917 0.504599 ] [ 0 0.377976 0.75 ] [ 0.877414 0.255917 0.995401 ] [ 0.5 0.122024 0.25 ] [ 0.122586 0.744083 0.495401 ] [ 0.377414 0.244083 0.004599 ] [ 0.127837 0 0 ] [ 0.114935 0 0.5 ] [ 0.385065 0.5 0 ] [ 0.372163 0.5 0.5 ] [ 0.622586 0.755917 0.504599 ] [ 0.5 0.877976 0.75 ] [ 0.377414 0.755917 0.995401 ] [ 0 0.622024 0.25 ] [ 0.622586 0.244083 0.495401 ] [ 0.877414 0.744083 0.004599 ] [ 0.627837 0.5 0 ] [ 0.614935 0.5 0.5 ] [ 0.250576 0.374949 0.753464 ] [ 0.127787 0.254495 0.004361 ] [ 0 0.132999 0.25 ] [ 0.125482 0.5 0 ] [ 0.750576 0.125051 0.246536 ] [ 0.872213 0.254495 0.495639 ] [ 0.127787 0.745505 0.995639 ] [ 0.249424 0.874949 0.746536 ] [ 0.374518 0 0.5 ] [ 0 0.867001 0.75 ] [ 0.372213 0.245505 0.504361 ] [ 0.249424 0.125051 0.253464 ] [ 0.750576 0.874949 0.753464 ] [ 0.627787 0.754495 0.004361 ] [ 0.5 0.632999 0.25 ] [ 0.625482 0 0 ] [ 0.250576 0.625051 0.246536 ] [ 0.372213 0.754495 0.495639 ] [ 0.627787 0.245505 0.995639 ] [ 0.749424 0.374949 0.746536 ] [ 0.874518 0.5 0.5 ] [ 0.5 0.367001 0.75 ] [ 0.872213 0.745505 0.504361 ] [ 0.749424 0.625051 0.253464 ] [ 0.878698 0.985805 0.75688 ] [ 0.252777 0.36601 0.512577 ] [ 0.127544 0.259345 0.760822 ] [ 0.251437 0.375477 0.000714 ] [ 0.126295 0.249404 0.251509 ] [ 0.002287 0.137821 0.008736 ] [ 0.878698 0.014195 0.24312 ] [ 0.997713 0.137821 0.491264 ] [ 0.12963 0.492548 0.760228 ] [ 0.010365 0.375636 0.000703 ] [ 0.12963 0.507452 0.239772 ] [ 0.751437 0.124523 0.999286 ] [ 0.873705 0.249404 0.248491 ] [ 0.752777 0.13399 0.487423 ] [ 0.872456 0.259345 0.739178 ] [ 0.989635 0.375636 0.499297 ] [ 0.510365 0.124364 0.999297 ] [ 0.127544 0.740655 0.239178 ] [ 0.247223 0.86601 0.987423 ] [ 0.126295 0.750596 0.748491 ] [ 0.248563 0.875477 0.499286 ] [ 0.37037 0.992548 0.739772 ] [ 0.489635 0.124364 0.500703 ] [ 0.37037 0.007452 0.260228 ] [ 0.002287 0.862179 0.991264 ] [ 0.121302 0.985805 0.74312 ] [ 0.997713 0.862179 0.508736 ] [ 0.373705 0.250596 0.751509 ] [ 0.248563 0.124523 0.500714 ] [ 0.372456 0.240655 0.260822 ] [ 0.247223 0.13399 0.012577 ] [ 0.121302 0.014195 0.25688 ] [ 0.378698 0.485805 0.75688 ] [ 0.752777 0.86601 0.512577 ] [ 0.627544 0.759345 0.760822 ] [ 0.751437 0.875477 0.000714 ] [ 0.626295 0.749404 0.251509 ] [ 0.502287 0.637821 0.008736 ] [ 0.378698 0.514195 0.24312 ] [ 0.497713 0.637821 0.491264 ] [ 0.62963 0.992548 0.760228 ] [ 0.510365 0.875636 0.000703 ] [ 0.62963 0.007452 0.239772 ] [ 0.251437 0.624523 0.999286 ] [ 0.373705 0.749404 0.248491 ] [ 0.252777 0.63399 0.487423 ] [ 0.372456 0.759345 0.739178 ] [ 0.489635 0.875636 0.499297 ] [ 0.010365 0.624364 0.999297 ] [ 0.627544 0.240655 0.239178 ] [ 0.747223 0.36601 0.987423 ] [ 0.626295 0.250596 0.748491 ] [ 0.748563 0.375477 0.499286 ] [ 0.87037 0.492548 0.739772 ] [ 0.989635 0.624364 0.500703 ] [ 0.87037 0.507452 0.260228 ] [ 0.502287 0.362179 0.991264 ] [ 0.621302 0.485805 0.74312 ] [ 0.497713 0.362179 0.508736 ] [ 0.873705 0.750596 0.751509 ] [ 0.748563 0.624523 0.500714 ] [ 0.872456 0.740655 0.260822 ] [ 0.747223 0.63399 0.012577 ] [ 0.621302 0.514195 0.25688 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 15.0841016607 "source-unit" "angstrom" } "b" { "source-value" 15.3626733026 "source-unit" "angstrom" } "c" { "source-value" 10.679257345 "source-unit" "angstrom" } }