{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.623539 0.849302 0.098841 ] [ 0.123539 0.650698 0.901159 ] [ 0.376461 0.349302 0.401159 ] [ 0.876461 0.150698 0.598841 ] [ 0.615298 0.466409 0.715889 ] [ 0.115298 0.033591 0.284111 ] [ 0.384702 0.966409 0.784111 ] [ 0.884702 0.533591 0.215889 ] [ 0.045452 0.003252 0.460681 ] [ 0.545452 0.496748 0.539319 ] [ 0.954548 0.503252 0.039319 ] [ 0.454548 0.996748 0.960681 ] [ 0.210139 0.210255 0.25192 ] [ 0.710139 0.289745 0.74808 ] [ 0.789861 0.710255 0.24808 ] [ 0.289861 0.789745 0.75192 ] [ 0.905173 0.819779 0.955353 ] [ 0.405173 0.680221 0.044647 ] [ 0.094827 0.319779 0.544647 ] [ 0.594827 0.180221 0.455353 ] [ 0.150499 0.094137 0.751535 ] [ 0.650499 0.405863 0.248465 ] [ 0.849501 0.594137 0.748465 ] [ 0.349501 0.905863 0.251535 ] [ 0.655682 0.981369 0.677411 ] [ 0.155682 0.518631 0.322589 ] [ 0.344318 0.481369 0.822589 ] [ 0.844318 0.018631 0.177411 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "P" "P" "P" "P" "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" 4.61144725 "source-unit" "angstrom" } "b" { "source-value" 8.35200492 "source-unit" "angstrom" } "c" { "source-value" 8.56061789 "source-unit" "angstrom" } }