{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.742105 0.331945 0.939235 ] [ 0.124566 0.593722 0.687989 ] [ 0.875434 0.406278 0.312011 ] [ 0.257895 0.668055 0.060765 ] [ 0.820279 0.79544 0.972077 ] [ 0.697851 0.648368 0.598556 ] [ 0.302149 0.351632 0.401444 ] [ 0.179721 0.20456 0.027923 ] [ 0.626278 0.650884 0.964827 ] [ 0.067947 0.729082 0.873626 ] [ 0.730338 0.033589 0.929212 ] [ 0.114592 0.282898 0.871296 ] [ 0.788996 0.449528 0.72426 ] [ 0.885969 0.806428 0.590224 ] [ 0.431599 0.729821 0.650789 ] [ 0.265275 0.424351 0.544777 ] [ 0.734725 0.575649 0.455223 ] [ 0.568401 0.270179 0.349211 ] [ 0.114031 0.193572 0.409776 ] [ 0.211004 0.550472 0.27574 ] [ 0.885408 0.717102 0.128704 ] [ 0.269662 0.966411 0.070788 ] [ 0.932053 0.270918 0.126374 ] [ 0.373722 0.349116 0.035173 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "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" 5.66458166132 "source-unit" "angstrom" } "b" { "source-value" 6.40504304882 "source-unit" "angstrom" } "c" { "source-value" 9.57206438901 "source-unit" "angstrom" } "alpha" { "source-value" 74.8382307485 "source-unit" "degree" } "beta" { "source-value" 76.6148465667 "source-unit" "degree" } "gamma" { "source-value" 80.6813797816 "source-unit" "degree" } }