{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.161041 0.717149 0.25 ] [ 0.161041 0.782851 0.75 ] [ 0.838959 0.217149 0.25 ] [ 0.838959 0.282851 0.75 ] [ 0.246169 0.02597 0.101126 ] [ 0.246169 0.02597 0.398874 ] [ 0.246169 0.47403 0.601126 ] [ 0.246169 0.47403 0.898874 ] [ 0.753831 0.52597 0.101126 ] [ 0.753831 0.52597 0.398874 ] [ 0.753831 0.97403 0.898874 ] [ 0.753831 0.97403 0.601126 ] [ 0.033101 0.75 0 ] [ 0.033101 0.75 0.5 ] [ 0.399768 0.371628 0.128302 ] [ 0.399768 0.128372 0.628302 ] [ 0.399768 0.128372 0.871698 ] [ 0.399768 0.371628 0.371698 ] [ 0.600232 0.628372 0.871698 ] [ 0.600232 0.628372 0.628302 ] [ 0.600232 0.871628 0.128302 ] [ 0.600232 0.871628 0.371698 ] [ 0.966899 0.25 0 ] [ 0.966899 0.25 0.5 ] [ 0.059201 0.139699 0.426712 ] [ 0.059201 0.360301 0.573288 ] [ 0.059201 0.360301 0.926712 ] [ 0.059201 0.139699 0.073288 ] [ 0.134392 0.83041 0.410192 ] [ 0.134392 0.83041 0.089808 ] [ 0.134392 0.66959 0.589808 ] [ 0.134392 0.66959 0.910192 ] [ 0.21152 0.018398 0.25 ] [ 0.21152 0.481602 0.75 ] [ 0.291341 0.031898 0.556284 ] [ 0.291341 0.468102 0.056284 ] [ 0.291341 0.468102 0.443716 ] [ 0.291341 0.031898 0.943716 ] [ 0.342462 0.069884 0.75 ] [ 0.342462 0.430116 0.25 ] [ 0.374385 0.203422 0.379377 ] [ 0.374385 0.296578 0.620623 ] [ 0.374385 0.296578 0.879377 ] [ 0.374385 0.203422 0.120623 ] [ 0.430005 0.899358 0.117808 ] [ 0.430005 0.600642 0.617808 ] [ 0.430005 0.899358 0.382192 ] [ 0.430005 0.600642 0.882192 ] [ 0.569995 0.100642 0.882192 ] [ 0.569995 0.399358 0.117808 ] [ 0.569995 0.399358 0.382192 ] [ 0.569995 0.100642 0.617808 ] [ 0.625615 0.703422 0.120623 ] [ 0.625615 0.703422 0.379377 ] [ 0.625615 0.796578 0.879377 ] [ 0.625615 0.796578 0.620623 ] [ 0.657538 0.569884 0.75 ] [ 0.657538 0.930116 0.25 ] [ 0.708659 0.531898 0.556284 ] [ 0.708659 0.531898 0.943716 ] [ 0.708659 0.968102 0.056284 ] [ 0.708659 0.968102 0.443716 ] [ 0.78848 0.518398 0.25 ] [ 0.78848 0.981602 0.75 ] [ 0.865608 0.16959 0.589808 ] [ 0.865608 0.33041 0.089808 ] [ 0.865608 0.33041 0.410192 ] [ 0.865608 0.16959 0.910192 ] [ 0.940799 0.860301 0.926712 ] [ 0.940799 0.639699 0.073288 ] [ 0.940799 0.639699 0.426712 ] [ 0.940799 0.860301 0.573288 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "P" "P" "P" "P" "P" "P" "P" "P" "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" "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" 8.69622552 "source-unit" "angstrom" } "b" { "source-value" 8.88429655 "source-unit" "angstrom" } "c" { "source-value" 11.96309183 "source-unit" "angstrom" } }