{ "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" [ [ 0.725838 0.714943 0.988742 ] [ 0.274162 0.285057 0.011258 ] [ 0.049411 0.239949 0.397325 ] [ 0.950589 0.760051 0.602675 ] [ 0.648972 0.190709 0.744333 ] [ 0.351028 0.809291 0.255667 ] [ 0.158177 0.629607 0.372537 ] [ 0.682299 0.911365 0.377166 ] [ 0.841823 0.370393 0.627463 ] [ 0.317701 0.088635 0.622834 ] [ 0.20768 0.0419 0.202091 ] [ 0.79232 0.9581 0.797909 ] [ 0.355138 0.657182 0.082953 ] [ 0.644862 0.342818 0.917047 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "P" "P" "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" 4.65463601739 "source-unit" "angstrom" } "b" { "source-value" 5.34507020647 "source-unit" "angstrom" } "c" { "source-value" 7.51918309313 "source-unit" "angstrom" } "alpha" { "source-value" 90.3126507599 "source-unit" "degree" } "beta" { "source-value" 103.585250745 "source-unit" "degree" } "gamma" { "source-value" 104.025245902 "source-unit" "degree" } }