{ "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" [ [ 1.5155805 0.1695122 -3.6048716 ] [ 0.990538 2.6723132 -0.6216653 ] [ 1.2459138 -0.1217308 1.0672563 ] [ 0.9864485 -0.0724084 0.7297795 ] [ 0.5765649 -0.9388825 3.0944972 ] [ -0.4724724 -2.3600208 -1.5410751 ] [ -3.0992093 0.7403727 -0.3727004 ] [ -1.743364 -0.0891557 1.2487793 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.428227664046037e-09 2.715884860179348e-10 -5.775641046090194e-09 ] [ 1.587016838689092e-09 4.281517767769769e-09 -9.960176178286e-10 ] [ 1.996173978338149e-09 -1.950342433981272e-10 1.709933106349294e-09 ] [ 1.580464737344349e-09 -1.160110465853256e-10 1.169235662872203e-09 ] [ 9.237588107645466e-10 -1.504255603571505e-09 4.957931107818424e-09 ] [ -7.569842394899015e-10 -3.781170181513986e-09 -2.469074516459213e-09 ] [ -4.965480724335496e-09 1.186207840391492e-09 -5.971318723624534e-10 ] [ -2.793177065356776e-09 -1.428431793279138e-10 2.000765015482876e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.599174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.703616477250031e-18 } }