{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.770502 0.544158 0.383696 ] [ 0.729498 0.044158 0.116304 ] [ 0.229498 0.455842 0.616304 ] [ 0.270502 0.955842 0.883696 ] [ 0.02087 0.727478 0.652349 ] [ 0.52087 0.772522 0.152349 ] [ 0.97913 0.272522 0.347651 ] [ 0.47913 0.227478 0.847651 ] [ 0.961656 0.486562 0.229176 ] [ 0.538344 0.986562 0.270824 ] [ 0.038344 0.513438 0.770824 ] [ 0.461656 0.013438 0.729176 ] [ 0.794829 0.281461 0.477423 ] [ 0.705171 0.781461 0.022577 ] [ 0.205171 0.718539 0.522577 ] [ 0.294829 0.218539 0.977423 ] [ 0.806263 0.762571 0.538796 ] [ 0.693737 0.262571 0.961204 ] [ 0.193737 0.237429 0.461204 ] [ 0.306263 0.737429 0.038796 ] [ 0.01953 0.935433 0.779967 ] [ 0.51953 0.564567 0.279967 ] [ 0.98047 0.064567 0.220033 ] [ 0.48047 0.435433 0.720033 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "P" "P" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.64432293801 "source-unit" "angstrom" } "b" { "source-value" 8.20691729 "source-unit" "angstrom" } "c" { "source-value" 9.17571450055 "source-unit" "angstrom" } "beta" { "source-value" 94.6634540988 "source-unit" "degree" } }