{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.711373 0.743675 0.683267 ] [ 0.720873 0.997121 0.565779 ] [ 0.220873 0.997121 0.934221 ] [ 0.279127 0.002879 0.434221 ] [ 0.288627 0.243675 0.816733 ] [ 0.720873 0.502879 0.065779 ] [ 0.220873 0.502879 0.434221 ] [ 0.288627 0.256325 0.316733 ] [ 0.211373 0.743675 0.816733 ] [ 0.779127 0.497121 0.565779 ] [ 0.211373 0.756325 0.316733 ] [ 0.711373 0.756325 0.183267 ] [ 0.279127 0.497121 0.934221 ] [ 0.779127 0.002879 0.065779 ] [ 0.788627 0.256325 0.183267 ] [ 0.788627 0.243675 0.683267 ] [ 0.783671 0.231555 0.93773 ] [ 0.680845 0.986201 0.814226 ] [ 0.319155 0.486201 0.685774 ] [ 0.180845 0.513799 0.185774 ] [ 0.319155 0.013799 0.185774 ] [ 0.680845 0.513799 0.314226 ] [ 0.283671 0.231555 0.56227 ] [ 0.180845 0.986201 0.685774 ] [ 0.216329 0.768445 0.06227 ] [ 0.783671 0.268445 0.43773 ] [ 0.716329 0.768445 0.43773 ] [ 0.819155 0.013799 0.314226 ] [ 0.283671 0.268445 0.06227 ] [ 0.819155 0.486201 0.814226 ] [ 0.716329 0.731555 0.93773 ] [ 0.216329 0.731555 0.56227 ] [ 0.812236 0.923584 0.411559 ] [ 0.208085 0.675609 0.158617 ] [ 0.791915 0.324391 0.841383 ] [ 0.884321 0.022655 0.728438 ] [ 0.884321 0.477345 0.228438 ] [ 0.291915 0.175609 0.158617 ] [ 0.087815 0.290084 0.47918 ] [ 0.412185 0.790084 0.47918 ] [ 0.312236 0.576416 0.588441 ] [ 0.791915 0.175609 0.341383 ] [ 0.587815 0.290084 0.02082 ] [ 0.412185 0.709916 0.97918 ] [ 0.384321 0.022655 0.771562 ] [ 0.812236 0.576416 0.911559 ] [ 0.208085 0.824391 0.658617 ] [ 0.687764 0.423584 0.411559 ] [ 0.587815 0.209916 0.52082 ] [ 0.615679 0.522655 0.728438 ] [ 0.187764 0.423584 0.088441 ] [ 0.087815 0.209916 0.97918 ] [ 0.115679 0.977345 0.271562 ] [ 0.115679 0.522655 0.771562 ] [ 0.912185 0.709916 0.52082 ] [ 0.187764 0.076416 0.588441 ] [ 0.312236 0.923584 0.088441 ] [ 0.291915 0.324391 0.658617 ] [ 0.384321 0.477345 0.271562 ] [ 0.615679 0.977345 0.228438 ] [ 0.912185 0.790084 0.02082 ] [ 0.708085 0.824391 0.841383 ] [ 0.687764 0.076416 0.911559 ] [ 0.708085 0.675609 0.341383 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.70614552 "source-unit" "angstrom" } "b" { "source-value" 11.27700031 "source-unit" "angstrom" } "c" { "source-value" 16.05586242 "source-unit" "angstrom" } }