{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4716332 1.7410499 1.6588587 ] [ -0.5821659 0.2070634 -0.0161479 ] [ -2.4431278 -2.0860638 1.2994213 ] [ 0.0489843 -1.5888076 -0.4514478 ] [ -0.83465 0.9766133 -0.8851731 ] [ 2.6030084 1.5408506 0.2754446 ] [ -0.2636821 -0.7907057 -1.8809557 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.357816307433091e-09 2.789469445426178e-09 2.657784626350681e-09 ] [ -9.327325944069907e-10 3.317521385033587e-10 -2.587178785501632e-11 ] [ -3.914322242786538e-09 -3.342242649857207e-09 2.081902427429543e-09 ] [ 7.848150024625345e-11 -2.545550391669358e-09 -7.232991106715943e-10 ] [ -1.33725671655072e-09 1.564706996822337e-09 -1.41820364618106e-09 ] [ 4.170479202226015e-09 2.468714807465653e-09 4.413108984456077e-10 ] [ -4.224652959434477e-10 -1.266850186473299e-09 -3.013623247300499e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.921619 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.793971841828508e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6441659 0.9797184 1.8519555 ] [ 1.1421645 2.2448094 3.9085524 ] [ 1.3282313 3.5123869 1.9862765 ] [ 4.1291764 1.5717494 1.9324074 ] [ 3.0579443 0.9174617 3.8717097 ] [ 3.6454025 3.8765406 1.548971 ] [ 3.3380672 3.3704544 3.8007645 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6441659e-10 9.797184e-11 1.8519555e-10 ] [ 1.1421645e-10 2.2448094e-10 3.9085524e-10 ] [ 1.3282313e-10 3.5123869e-10 1.9862765e-10 ] [ 4.1291764e-10 1.5717494e-10 1.9324074e-10 ] [ 3.0579443e-10 9.174617e-11 3.8717097e-10 ] [ 3.6454025e-10 3.8765406e-10 1.548971e-10 ] [ 3.3380672e-10 3.3704544e-10 3.8007645e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.59e-05 -3.33e-05 -9.3e-06 ] [ 7.3e-06 -8.2e-06 8e-06 ] [ 5.3e-06 -3.4e-06 2.2e-06 ] [ 8e-06 -3.5e-06 9.6e-06 ] [ -6.3e-06 4e-07 -1.2e-06 ] [ 2.32e-05 4.06e-05 -2.75e-05 ] [ -1.7e-06 7.5e-06 1.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.751814068672e-14 -5.335248147264001e-14 -1.490024257344e-14 ] [ 1.169588933184e-14 -1.313784829056e-14 1.28174129664e-14 ] [ 8.491536090240001e-15 -5.44740051072e-15 3.52478856576e-15 ] [ 1.28174129664e-14 -5.6076181728e-15 1.538089555968e-14 ] [ -1.009371271104e-14 6.408706483200001e-16 -1.92261194496e-15 ] [ 3.717049760256e-14 6.504837080448e-14 -4.4059857072e-14 ] [ -2.72370025536e-15 1.2016324656e-14 2.899939683648e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }