{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.04515 0.25 0.333481 ] [ 0.45485 0.25 0.833481 ] [ 0.95485 0.75 0.666519 ] [ 0.54515 0.75 0.166519 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.977799 0.25 0.679229 ] [ 0.522201 0.25 0.179229 ] [ 0.022201 0.75 0.320771 ] [ 0.477799 0.75 0.820771 ] [ 0.847007 0.052491 0.620739 ] [ 0.652993 0.052491 0.120739 ] [ 0.932908 0.25 0.845478 ] [ 0.28182 0.25 0.640011 ] [ 0.21818 0.25 0.140011 ] [ 0.567092 0.25 0.345478 ] [ 0.847007 0.447509 0.620739 ] [ 0.652993 0.447509 0.120739 ] [ 0.347007 0.552491 0.879261 ] [ 0.152993 0.552491 0.379261 ] [ 0.71818 0.75 0.359989 ] [ 0.78182 0.75 0.859989 ] [ 0.432908 0.75 0.654522 ] [ 0.067092 0.75 0.154522 ] [ 0.347007 0.947509 0.879261 ] [ 0.152993 0.947509 0.379261 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "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" 5.01923914 "source-unit" "angstrom" } "b" { "source-value" 6.48591044 "source-unit" "angstrom" } "c" { "source-value" 9.42873277 "source-unit" "angstrom" } }