{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.463646 2.399639 1.70499 ] [ 1.562869 2.634357 3.942252 ] [ 0.7671946 4.252199 0.5443388 ] [ 2.243771 4.169464 2.448835 ] [ 3.362616 2.323379 2.490002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.463646e-10 2.399639e-10 1.70499e-10 ] [ 1.562869e-10 2.634357e-10 3.942252e-10 ] [ 7.671945999999999e-11 4.252199e-10 5.443388e-11 ] [ 2.243771e-10 4.169464e-10 2.448835e-10 ] [ 3.362616e-10 2.323379e-10 2.490002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7325571 -4.8960489 -5.4078329 ] [ -2.6507074 -0.8805987 5.2934379 ] [ 0.0520809 0.268983 -0.0303229 ] [ 0.9282647 8.6084728 0.277137 ] [ 7.4029189 -3.1008083 -0.1324192 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.184568963021049e-09 -7.844335081873558e-09 -8.664303441573065e-09 ] [ -4.246901424861553e-09 -1.410874649446873e-09 8.481022447036648e-09 ] [ 8.344280037022271e-11 4.309582739926464e-10 -4.858264145485632e-11 ] [ 1.487244000253926e-09 1.379229386095271e-08 4.440224221586496e-10 ] [ 1.186078358725845e-08 -4.968042563842593e-09 -2.121589463850393e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.5957295 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.056752360202087e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.169935 1.8785761 1.5487044 ] [ 1.3554995 2.7436122 3.8759961 ] [ 0.9679031 4.1349606 0.7939096 ] [ 2.4157262 4.6202131 2.6297004 ] [ 3.4910329 2.401676 2.2821073 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.169935e-10 1.8785761e-10 1.5487044e-10 ] [ 1.3554995e-10 2.7436122e-10 3.8759961e-10 ] [ 9.679031000000001e-11 4.1349606e-10 7.939096000000001e-11 ] [ 2.4157262e-10 4.6202131e-10 2.6297004e-10 ] [ 3.4910329e-10 2.401676e-10 2.2821073e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.27e-05 1.05e-05 1e-05 ] [ -2.05e-05 -7.7e-06 -3.4e-06 ] [ -1.03e-05 -4.6e-06 5.1e-06 ] [ 1.62e-05 -7e-07 -7.1e-06 ] [ 1.9e-06 2.5e-06 -4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.034764308416e-14 1.68228545184e-14 1.6021766208e-14 ] [ -3.28446207264e-14 -1.233675998016e-14 -5.44740051072e-15 ] [ -1.650241919424e-14 -7.370012455680001e-15 8.17110076608e-15 ] [ 2.595526125696e-14 -1.12152363456e-15 -1.137545400768e-14 ] [ 3.04413557952e-15 4.005441552e-15 -7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.393797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.665269855474118e-18 } }