{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2cm" } "basis-atom-coordinates" { "source-value" [ [ 0.064172 0 0 ] [ 0.064172 0 0.5 ] [ 0.564172 0.5 0 ] [ 0.564172 0.5 0.5 ] [ 0.129941 0.634099 0.25 ] [ 0.129941 0.365901 0.75 ] [ 0.629941 0.134099 0.25 ] [ 0.629941 0.865901 0.75 ] [ 0.998558 0.672362 0.101572 ] [ 0.998558 0.672362 0.398428 ] [ 0.931514 0.05316 0.25 ] [ 0.998558 0.327638 0.601572 ] [ 0.998558 0.327638 0.898428 ] [ 0.931514 0.94684 0.75 ] [ 0.498558 0.172362 0.101572 ] [ 0.498558 0.172362 0.398428 ] [ 0.431514 0.55316 0.25 ] [ 0.498558 0.827638 0.601572 ] [ 0.498558 0.827638 0.898428 ] [ 0.431514 0.44684 0.75 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "B" "B" "B" "B" "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" 4.20752414 "source-unit" "angstrom" } "b" { "source-value" 6.52939951 "source-unit" "angstrom" } "c" { "source-value" 8.47066385 "source-unit" "angstrom" } }