{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.760789 0.683885 ] [ 0.25 0.239211 0.316115 ] [ 0.75 0.426211 0.75 ] [ 0.25 0.442304 0.051537 ] [ 0.25 0.239211 0.183885 ] [ 0.75 0.557696 0.948463 ] [ 0.75 0.556118 0.150605 ] [ 0.25 0.443882 0.849395 ] [ 0.25 0.443882 0.650605 ] [ 0.75 0.557696 0.551537 ] [ 0.25 0.040768 0.75 ] [ 0.25 0.573789 0.25 ] [ 0.75 0.959232 0.25 ] [ 0.25 0.442304 0.448463 ] [ 0.75 0.556118 0.349395 ] [ 0.75 0.760789 0.816115 ] [ 0.25 0.683823 0.75 ] [ 0.75 0.316177 0.25 ] [ 0.25 0.800587 0.594134 ] [ 0.25 0.850671 0.332138 ] [ 0.75 0.149329 0.667862 ] [ 0.25 0.850671 0.167862 ] [ 0.75 0.199413 0.405866 ] [ 0.75 0.199413 0.094134 ] [ 0.75 0.724512 0.452504 ] [ 0.25 0.275488 0.952504 ] [ 0.25 0.275488 0.547496 ] [ 0.75 0.149329 0.832138 ] [ 0.75 0.724512 0.047496 ] [ 0.25 0.800587 0.905866 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Fe" "Fe" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.73826629001 "source-unit" "angstrom" } "b" { "source-value" 7.69172530002 "source-unit" "angstrom" } "c" { "source-value" 26.0767361801 "source-unit" "angstrom" } }