{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.3933155 12.2240813 1.327564 ] [ -13.0926331 -8.2390243 -4.3456235 ] [ -7.7725099 -4.3939568 6.1749273 ] [ 1.7447942 -15.3215647 2.977715 ] [ 19.9668743 7.1142527 -15.2482007 ] [ 9.54679 8.6162118 9.1136178 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.665192724389002e-08 1.958513743097634e-08 2.126992020939576e-09 ] [ -2.097671083035498e-08 -1.320037222041821e-08 -6.962456431861299e-09 ] [ -1.245293374931368e-08 -7.03989491576541e-09 9.893324236708708e-09 ] [ 2.795468498378723e-09 -2.454785295865922e-08 4.77082539571131e-09 ] [ 3.19904594574751e-08 1.139828944431141e-08 -2.443031087208244e-08 ] [ 1.529564386770486e-08 1.380469321955508e-08 1.460162549036648e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0536172 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.688080859020504e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.3098598 6.3391291 2.1016072 ] [ 3.1344936 4.1203073 1.0079251 ] [ 2.3195842 1.8159857 3.9448601 ] [ 4.1207241 2.9920853 2.8975218 ] [ 4.8128886 4.0880497 -0.6968293 ] [ 4.3856918 5.1086028 4.1625091 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.3098598e-10 6.339129100000001e-10 2.1016072e-10 ] [ 3.1344936e-10 4.120307300000001e-10 1.0079251e-10 ] [ 2.3195842e-10 1.8159857e-10 3.9448601e-10 ] [ 4.1207241e-10 2.9920853e-10 2.8975218e-10 ] [ 4.8128886e-10 4.0880497e-10 -6.968293e-11 ] [ 4.3856918e-10 5.1086028e-10 4.162509100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.56e-05 -3.02e-05 -1.93e-05 ] [ -7.17e-05 4.64e-05 -1.1e-05 ] [ -2.8e-06 -7.7e-06 -2.67e-05 ] [ 5.89e-05 9.4e-06 4.85e-05 ] [ 3.2e-06 -1e-05 1.75e-05 ] [ -1.32e-05 -8e-06 -9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.10157218304e-14 -4.838573434679999e-14 -3.09220090362e-14 ] [ -1.148760646578e-13 7.43409958176e-14 -1.7623942974e-14 ] [ -4.486094575199999e-15 -1.23367600818e-14 -4.277811612779999e-14 ] [ 9.436820374259999e-14 1.50604603596e-14 7.770556674899999e-14 ] [ 5.1269652288e-15 -1.602176634e-14 2.8038091095e-14 ] [ -2.11487315688e-14 -1.2817413072e-14 -1.45798073694e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.12112 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.743105841191008e-18 } }