{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.377841 0.72072 ] [ 0.75 0.622159 0.27928 ] [ 0.75 0.877841 0.77928 ] [ 0.25 0.122159 0.22072 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.153359 0.38295 ] [ 0.5 0 0 ] [ 0.75 0.346641 0.88295 ] [ 0.25 0.653359 0.11705 ] [ 0.25 0.846641 0.61705 ] [ 0 0 0 ] [ 0.25 0.352794 0.93925 ] [ 0.75 0.647206 0.06075 ] [ 0.75 0.852794 0.56075 ] [ 0.25 0.147206 0.43925 ] [ 0.75 0.390412 0.690664 ] [ 0.25 0.609588 0.309336 ] [ 0.25 0.890412 0.809336 ] [ 0.75 0.109588 0.190664 ] [ 0.060627 0.60003 0.372177 ] [ 0.560627 0.39997 0.627823 ] [ 0.939373 0.10003 0.127823 ] [ 0.439373 0.89997 0.872177 ] [ 0.939373 0.39997 0.627823 ] [ 0.439373 0.60003 0.372177 ] [ 0.060627 0.89997 0.872177 ] [ 0.560627 0.10003 0.127823 ] [ 0.25 0.329244 0.489281 ] [ 0.75 0.670756 0.510719 ] [ 0.75 0.829244 0.010719 ] [ 0.25 0.170756 0.989281 ] [ 0.75 0.124923 0.945847 ] [ 0.25 0.875077 0.054153 ] [ 0.25 0.624923 0.554153 ] [ 0.75 0.375077 0.445847 ] [ 0.75 0.22057 0.749511 ] [ 0.25 0.77943 0.250489 ] [ 0.25 0.72057 0.750489 ] [ 0.75 0.27943 0.249511 ] [ 0.435115 0.138646 0.374502 ] [ 0.935115 0.861354 0.625498 ] [ 0.564885 0.638646 0.125498 ] [ 0.064885 0.361354 0.874502 ] [ 0.564885 0.861354 0.625498 ] [ 0.064885 0.138646 0.374502 ] [ 0.435115 0.361354 0.874502 ] [ 0.935115 0.638646 0.125498 ] [ 0.75 0.507723 0.986005 ] [ 0.25 0.034625 0.733542 ] [ 0.25 0.465375 0.233542 ] [ 0.75 0.534625 0.766458 ] [ 0.75 0.992277 0.486005 ] [ 0.25 0.007723 0.513995 ] [ 0.25 0.492277 0.013995 ] [ 0.75 0.965375 0.266458 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "V" "V" "V" "V" "V" "V" "V" "V" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.64176972 "source-unit" "angstrom" } "b" { "source-value" 7.671489 "source-unit" "angstrom" } "c" { "source-value" 14.42506957 "source-unit" "angstrom" } }