{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.251568 0.510772 ] [ 0.75 0.748432 0.489228 ] [ 0.75 0.751568 0.989228 ] [ 0.25 0.248432 0.010772 ] [ 0.25 0.923273 0.773385 ] [ 0.75 0.076727 0.226615 ] [ 0.75 0.423273 0.726615 ] [ 0.25 0.576727 0.273385 ] [ 0.51509 0.509495 0.680535 ] [ 0.01509 0.490505 0.319465 ] [ 0.48491 0.009495 0.819465 ] [ 0.98491 0.990505 0.180535 ] [ 0.48491 0.490505 0.319465 ] [ 0.98491 0.509495 0.680535 ] [ 0.51509 0.990505 0.180535 ] [ 0.01509 0.009495 0.819465 ] [ 0.25 0.737405 0.336028 ] [ 0.75 0.262595 0.663972 ] [ 0.75 0.237405 0.163972 ] [ 0.25 0.762595 0.836028 ] [ 0.75 0.090096 0.389995 ] [ 0.25 0.909904 0.610005 ] [ 0.25 0.590096 0.110005 ] [ 0.75 0.409904 0.889995 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "B" "B" "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.27299586 "source-unit" "angstrom" } "b" { "source-value" 7.02144476 "source-unit" "angstrom" } "c" { "source-value" 7.54004013 "source-unit" "angstrom" } }