{ "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" [ [ 0.428122 0.07754 0.663955 ] [ 0.908139 0.264931 0.358299 ] [ 0.265114 0.243177 0.997799 ] [ 0.734886 0.756823 0.002201 ] [ 0.091861 0.735069 0.641701 ] [ 0.571878 0.92246 0.336045 ] [ 0.898122 0.157123 0.708251 ] [ 0.457712 0.473786 0.30478 ] [ 0.229711 0.728554 0.005765 ] [ 0.770289 0.271446 0.994235 ] [ 0.542288 0.526214 0.69522 ] [ 0.101878 0.842877 0.291749 ] [ 0.241505 0.034539 0.251636 ] [ 0.619878 0.090491 0.065509 ] [ 0.096569 0.103442 0.588996 ] [ 0.557485 0.217271 0.411326 ] [ 0.892725 0.347686 0.108209 ] [ 0.361642 0.480405 0.13324 ] [ 0.3568 0.379511 0.736702 ] [ 0.972255 0.191722 0.871336 ] [ 0.243138 0.587413 0.399231 ] [ 0.756862 0.412587 0.600769 ] [ 0.027745 0.808278 0.128664 ] [ 0.6432 0.620489 0.263298 ] [ 0.638358 0.519595 0.86676 ] [ 0.107275 0.652314 0.891791 ] [ 0.442515 0.782729 0.588674 ] [ 0.903431 0.896558 0.411004 ] [ 0.380122 0.909509 0.934491 ] [ 0.758495 0.965461 0.748364 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "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" 6.8940188 "source-unit" "angstrom" } "b" { "source-value" 6.95097453 "source-unit" "angstrom" } "c" { "source-value" 9.56673516 "source-unit" "angstrom" } "alpha" { "source-value" 69.97294245 "source-unit" "degree" } "beta" { "source-value" 84.0583738 "source-unit" "degree" } "gamma" { "source-value" 76.43689068 "source-unit" "degree" } }