{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.43103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 1.064941 0.134389 -2.800296 ] [ 0.840025 1.908201 -0.4317 ] [ 1.065401 -0.124733 0.901915 ] [ 0.863525 0.045284 0.580935 ] [ 0.52426 -0.569451 2.419823 ] [ -0.405089 -1.718388 -1.214743 ] [ -2.612053 0.503208 -0.365248 ] [ -1.341008 -0.17851 0.909315 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -35.243726 } }