{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.531853 0.75 0.279218 ] [ 0.468147 0.25 0.720782 ] [ 0.239169 0.25 0.998143 ] [ 0.760831 0.75 0.001857 ] [ 0.258407 0.25 0.320997 ] [ 0.832236 0.25 0.379928 ] [ 0.741593 0.75 0.679003 ] [ 0.167764 0.75 0.620072 ] [ 0.152522 0.75 0.934563 ] [ 0.847478 0.25 0.065437 ] [ 0.876227 0.25 0.701198 ] [ 0.123773 0.75 0.298802 ] [ 0.058323 0.75 0.418463 ] [ 0.941677 0.25 0.581537 ] [ 0.218329 0.75 0.815915 ] [ 0.781671 0.25 0.184085 ] [ 0.710682 0.468731 0.374579 ] [ 0.289318 0.968731 0.625421 ] [ 0.289318 0.531269 0.625421 ] [ 0.710682 0.031269 0.374579 ] [ 0.240476 0.938436 0.305262 ] [ 0.759524 0.438436 0.694738 ] [ 0.759524 0.061564 0.694738 ] [ 0.240476 0.561564 0.305262 ] [ 0.393778 0.25 0.924696 ] [ 0.606222 0.75 0.075304 ] [ 0.029456 0.25 0.828567 ] [ 0.970544 0.75 0.171433 ] [ 0.224232 0.559981 0.021008 ] [ 0.775768 0.059981 0.978992 ] [ 0.775768 0.440019 0.978992 ] [ 0.224232 0.940019 0.021008 ] [ 0.93053 0.75 0.617108 ] [ 0.633011 0.75 0.807087 ] [ 0.044233 0.25 0.11288 ] [ 0.955767 0.75 0.88712 ] [ 0.42861 0.25 0.464484 ] [ 0.57139 0.75 0.535516 ] [ 0.06947 0.25 0.382892 ] [ 0.366989 0.25 0.192913 ] ] } "species" { "source-value" [ "Ag" "Ag" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "P" "P" "P" "P" "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" 8.34042650945 "source-unit" "angstrom" } "b" { "source-value" 6.50796281 "source-unit" "angstrom" } "c" { "source-value" 10.7122043536 "source-unit" "angstrom" } "beta" { "source-value" 109.397160521 "source-unit" "degree" } }