{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0.004448 0.032848 0.261354 ] [ 0.489681 0.546606 0.262489 ] [ 0.510319 0.453394 0.737511 ] [ 0.995552 0.967152 0.738646 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.077911 0.514469 0.751265 ] [ 0.214521 0.78241 0.043344 ] [ 0.199575 0.781799 0.459398 ] [ 0.283701 0.287225 0.043756 ] [ 0.279366 0.301479 0.459142 ] [ 0.418307 0.019627 0.762585 ] [ 0.581693 0.980373 0.237415 ] [ 0.720634 0.698521 0.540858 ] [ 0.716299 0.712775 0.956244 ] [ 0.800425 0.218201 0.540602 ] [ 0.785479 0.21759 0.956656 ] [ 0.922089 0.485531 0.248735 ] ] } "species" { "source-value" [ "Li" "La" "La" "La" "La" "Ti" "Ti" "Ti" "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" 5.5863977 "source-unit" "angstrom" } "b" { "source-value" 5.62915174 "source-unit" "angstrom" } "c" { "source-value" 7.91297224 "source-unit" "angstrom" } "alpha" { "source-value" 90.17829985 "source-unit" "degree" } "beta" { "source-value" 90.03814522 "source-unit" "degree" } "gamma" { "source-value" 90.27452537 "source-unit" "degree" } }