{ "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 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1891854 0.1814029 -2.8871782 ] [ 0.7774808 2.2803896 -0.5162556 ] [ 0.9270771 -0.2146667 0.7003736 ] [ 0.8003557 -0.0168107 0.6699597 ] [ 0.5946819 -0.7583955 2.4089143 ] [ -0.3044771 -2.0377648 -1.3032771 ] [ -2.5552903 0.6145343 -0.1528966 ] [ -1.4290135 -0.048689 1.0803599 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.905285045676696e-09 2.906394853253203e-10 -4.625769412123427e-09 ] [ 1.24566156088088e-09 3.653586903435464e-09 -8.271326526770766e-10 ] [ 1.485341255299064e-09 -3.439339680042873e-10 1.122122207745531e-09 ] [ 1.282311190864018e-09 -2.693371051928256e-11 1.073393768218182e-09 ] [ 9.527854369929236e-10 -1.215083539419927e-09 3.859506172970798e-09 ] [ -4.878260911889836e-10 -3.264859121249188e-09 -2.088080100044024e-09 ] [ -4.094026378017018e-09 9.845924881396935e-10 -2.449673579198093e-10 ] [ -2.289532020507581e-09 -7.800837749013121e-11 1.730927373829826e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.859604 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.745341915994616e-18 } }