{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45404e-10 0.0 0.0 ] "source-value" [ 5.45404 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.69758e-13 5.32364e-10 0.0 ] "source-value" [ 0.00269758 5.32364 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.64471e-12 4.33477e-12 5.272210000000001e-10 ] "source-value" [ -0.0264471 0.0433477 5.27221 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.01665971260096e-10 3.859472046608775e-10 5.007700761084269e-10 ] [ -4.93502442738816e-12 3.064460792131469e-10 7.83832868193984e-12 ] [ 1.447704364082189e-10 -3.590503442038733e-10 -5.950740317910529e-10 ] [ 1.349670381008679e-10 -5.993422303088639e-11 -1.735618707193191e-10 ] [ 9.69925682699904e-12 1.12344624650496e-11 1.595961777687917e-10 ] [ 1.44332080884768e-10 -2.242720425089357e-10 -6.378120931508928e-11 ] [ -6.774691688689344e-11 2.240607154126522e-10 4.243018710038708e-10 ] [ -1.594208996464762e-10 -2.844320122256928e-10 -2.60089341737568e-10 ] ] "source-value" [ [ -0.12587 0.2408893 0.3125561 ] [ -0.0030802 0.1912686 0.0048923 ] [ 0.0903586 -0.2241016 -0.371416 ] [ 0.0842398 -0.037408 -0.1083288 ] [ 0.0060538 0.007012 0.0996121 ] [ 0.090085 -0.1399796 -0.0398091 ] [ -0.0422843 0.1398477 0.2648284 ] [ -0.0995027 -0.1775285 -0.162335 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.65045e-12 3.66931e-12 2.59636e-12 ] [ 1.48655e-10 1.36127e-10 1.37402e-10 ] [ -1.76096e-12 2.76119e-10 2.70854e-10 ] [ 1.17184e-10 4.14313e-10 4.05378e-10 ] [ 2.72197e-10 2.31604e-12 2.74475e-10 ] [ 4.08411e-10 1.50063e-10 4.06205e-10 ] [ 2.69936e-10 2.73466e-10 -1.81062e-11 ] [ 4.07246e-10 4.14715e-10 1.4277e-10 ] ] "source-value" [ [ 0.0265045 0.0366931 0.0259636 ] [ 1.48655 1.36127 1.37402 ] [ -0.0176096 2.76119 2.70854 ] [ 1.17184 4.14313 4.05378 ] [ 2.72197 0.0231604 2.74475 ] [ 4.08411 1.50063 4.06205 ] [ 2.69936 2.73466 -0.181062 ] [ 4.07246 4.14715 1.4277 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 5.219942219565279e-18 "source-value" 32.580317 } }