{ "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" [ [ 0.9066893 0.9379891 0.1369545 ] [ 0.7550462 2.78121 2.963246 ] [ 2.797941 0.0158314 0.1688765 ] [ 2.09203 0.1495358 1.796908 ] [ 2.487588 2.015226 1.460751 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.066893000000001e-11 9.379891e-11 1.369545e-11 ] [ 7.550462e-11 2.78121e-10 2.963246e-10 ] [ 2.797941e-10 1.58314e-12 1.688765e-11 ] [ 2.09203e-10 1.495358e-11 1.796908e-10 ] [ 2.487588e-10 2.015226e-10 1.460751e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 26.1950258 162.1589482 -185.7167948 ] [ -58.4562002 32.5750556 52.2018106 ] [ -23.9910569 -7.2994617 -215.7048397 ] [ 102.1367114 -251.4859816 488.9108634 ] [ -45.8844801 64.0514395 -139.6910395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.196905791801282e-08 2.598072756595583e-07 -2.97551106718471e-07 ] [ -9.365715730124428e-08 5.219099250358012e-08 8.363652050674963e-08 ] [ -3.843791047346253e-08 -1.169502688016502e-08 -3.455972511607517e-07 ] [ 1.636410511304768e-07 -4.02924960178459e-07 7.833215549946224e-07 ] [ -7.351504127378284e-08 1.026217188954857e-07 -2.238097176221493e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 164.81258 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.640588624897297e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.5313667 0.7304145 -0.6979741 ] [ 1.4624348 2.638003 3.8522902 ] [ 3.504568 -0.1463405 0.2061493 ] [ 1.143266 -0.0536958 2.2952659 ] [ 2.397659 2.7314111 0.8710047 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.313667e-11 7.304145e-11 -6.979741000000001e-11 ] [ 1.4624348e-10 2.638003e-10 3.8522902e-10 ] [ 3.504568e-10 -1.463405e-11 2.061493e-11 ] [ 1.143266e-10 -5.369580000000001e-12 2.2952659e-10 ] [ 2.397659e-10 2.7314111e-10 8.710047e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.4e-06 -3.6e-06 2.8e-06 ] [ 2.1e-06 -4e-07 5.4e-06 ] [ -9.3e-06 4.5e-06 4.3e-06 ] [ 9.4e-06 1.95e-05 -1.72e-05 ] [ -8.6e-06 -1.99e-05 4.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.025393037312e-14 -5.76783583488e-15 4.48609453824e-15 ] [ 3.36457090368e-15 -6.408706483200001e-16 8.65175375232e-15 ] [ -1.490024257344e-14 7.2097947936e-15 6.889359469440001e-15 ] [ 1.506046023552e-14 3.12424441056e-14 -2.755743787776e-14 ] [ -1.377871893888e-14 -3.188331475392e-14 7.370012455680001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.138168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.784531236814269e-18 } }