{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4081322 -2.6839569 -1.9992147 ] [ -1.8451586 0.1929513 2.221043 ] [ 1.1349852 1.2716355 -0.952076 ] [ 0.333209 0.2795512 0.7634511 ] [ 2.8445686 -0.1244087 1.5069785 ] [ -0.9353946 1.2712124 -0.9676141 ] [ -0.1240774 -0.2069848 -0.5725678 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.25607648983567e-09 -4.300172996414844e-09 -3.203095052299686e-09 ] [ -2.956269970588059e-09 3.091420618129671e-10 3.558503168391494e-09 ] [ 1.818446752394012e-09 2.037384668279318e-09 -1.525393908424781e-09 ] [ 5.338596696401472e-10 4.478903969565849e-10 1.223183503544043e-09 ] [ 4.557501307181787e-09 -1.99324710564121e-10 2.414445720748253e-09 ] [ -1.498667359342568e-09 2.036706787351058e-09 -1.550288688976433e-09 ] [ -1.987939094496499e-10 -3.316262074209638e-10 -9.173547429828902e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.613201 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.020857575565118e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8425085 1.848538 2.0817009 ] [ 1.7983 2.5289351 4.0004259 ] [ 2.6656468 3.9119761 1.0557414 ] [ 2.1431011 4.779401 3.0961051 ] [ 4.9330697 2.5518425 2.7720499 ] [ 4.9347995 4.0335194 1.0491216 ] [ 3.8915274 3.730601 4.4195562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8425085e-10 1.848538e-10 2.0817009e-10 ] [ 1.7983e-10 2.5289351e-10 4.0004259e-10 ] [ 2.6656468e-10 3.9119761e-10 1.0557414e-10 ] [ 2.1431011e-10 4.779401e-10 3.0961051e-10 ] [ 4.9330697e-10 2.5518425e-10 2.7720499e-10 ] [ 4.9347995e-10 4.033519400000001e-10 1.0491216e-10 ] [ 3.891527400000001e-10 3.730601e-10 4.4195562e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.36e-05 1.06e-05 1.72e-05 ] [ -6.6e-06 6.5e-06 4.1e-06 ] [ 2.1e-05 -7.3e-06 -1.04e-05 ] [ 3.04e-05 -1.84e-05 2.49e-05 ] [ -1.36e-05 -2.39e-05 -1.48e-05 ] [ -1.8e-05 1.74e-05 -7.2e-06 ] [ -3.68e-05 1.52e-05 -1.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.781136825088e-14 1.698307218048e-14 2.755743787776e-14 ] [ -1.057436569728e-14 1.04141480352e-14 6.568924145279999e-15 ] [ 3.36457090368e-14 -1.169588933184e-14 -1.666263685632e-14 ] [ 4.870616927232e-14 -2.948004982272e-14 3.989419785791999e-14 ] [ -2.178960204288e-14 -3.829202123712e-14 -2.371221398784e-14 ] [ -2.88391791744e-14 2.787787320192e-14 -1.153567166976e-14 ] [ -5.896009964544001e-14 2.435308463616e-14 -2.227025502912e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.4213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.310546970154304e-18 } }