{ "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" [ [ 0.955129 0.926253 0.75428 ] [ 0.865656 0.719999 0.498161 ] [ 0.781232 0.575083 0.97785 ] [ 0.420111 0.84453 0.498034 ] [ 0.678062 0.367583 0.751438 ] [ 0.758587 0.502695 0.272234 ] [ 0.241413 0.497305 0.727766 ] [ 0.321938 0.632417 0.248562 ] [ 0.579889 0.15547 0.501966 ] [ 0.218768 0.424917 0.02215 ] [ 0.134344 0.280001 0.501839 ] [ 0.044871 0.073747 0.24572 ] [ 0.837459 0.995039 0.386074 ] [ 0.764993 0.830699 0.870016 ] [ 0.603374 0.876634 0.598295 ] [ 0.685588 0.705025 0.387198 ] [ 0.632464 0.543847 0.864443 ] [ 0.259339 0.838419 0.362117 ] [ 0.884549 0.445131 0.613804 ] [ 0.170408 0.686706 0.855712 ] [ 0.947639 0.57824 0.115234 ] [ 0.466087 0.571549 0.624195 ] [ 0.553697 0.682238 0.138837 ] [ 0.120707 0.860631 0.149866 ] [ 0.02196 0.731263 0.628755 ] [ 0.97804 0.268737 0.371245 ] [ 0.879293 0.139369 0.850134 ] [ 0.446303 0.317762 0.861163 ] [ 0.533913 0.428451 0.375805 ] [ 0.052361 0.42176 0.884766 ] [ 0.829592 0.313294 0.144288 ] [ 0.115451 0.554869 0.386196 ] [ 0.740661 0.161581 0.637883 ] [ 0.367536 0.456153 0.135557 ] [ 0.314412 0.294975 0.612802 ] [ 0.396626 0.123366 0.401705 ] [ 0.235007 0.169301 0.129984 ] [ 0.162541 0.004961 0.613926 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.12772033 "source-unit" "angstrom" } "b" { "source-value" 8.17500612 "source-unit" "angstrom" } "c" { "source-value" 10.58374002 "source-unit" "angstrom" } "alpha" { "source-value" 72.19743436 "source-unit" "degree" } "beta" { "source-value" 75.68331388 "source-unit" "degree" } "gamma" { "source-value" 61.91100141 "source-unit" "degree" } }