{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.987367 0.9158902 3.8842739 ] [ 0.0437917 -10.2220228 -1.9004603 ] [ -10.8827581 2.3466614 -4.7282876 ] [ -3.137967 -1.412879 -3.8129358 ] [ 0.7589099 1.0392463 3.6594813 ] [ 4.2552446 1.1753347 -5.8041024 ] [ 5.975412 6.1577691 8.7020309 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.786289565149434e-09 1.467417865659836e-09 6.223292831363638e-09 ] [ 7.016203792508736e-11 -1.637748594744455e-08 -3.044873061418554e-09 ] [ -1.743610059764183e-08 3.759766032013797e-09 -7.57555184913854e-09 ] [ -5.027577364241914e-09 -2.263681701819283e-09 -6.108996595371345e-09 ] [ 1.215907699073666e-09 1.665056125112903e-09 5.863135383114791e-09 ] [ 6.817653413905448e-09 1.883093777954982e-09 -9.299197170009168e-09 ] [ 9.573665406047772e-09 9.865833688304657e-09 1.394219046145918e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0374179 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.673009809379433e-19 } "relaxed-configuration-positions" { "source-value" [ [ 3.1139167 1.5201641 2.0001294 ] [ 2.5919572 2.7901548 3.7338396 ] [ 1.4722748 5.293333 1.1355793 ] [ 5.2898346 1.7347946 1.6807035 ] [ 6.0614016 3.2783736 3.0531855 ] [ 2.9889969 5.6356621 2.6940768 ] [ 4.2577033 4.2626378 3.8811857 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1139167e-10 1.5201641e-10 2.0001294e-10 ] [ 2.5919572e-10 2.7901548e-10 3.7338396e-10 ] [ 1.4722748e-10 5.293333e-10 1.1355793e-10 ] [ 5.2898346e-10 1.7347946e-10 1.6807035e-10 ] [ 6.0614016e-10 3.2783736e-10 3.0531855e-10 ] [ 2.9889969e-10 5.6356621e-10 2.6940768e-10 ] [ 4.2577033e-10 4.2626378e-10 3.8811857e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0188431 -0.1345978 0.2173798 ] [ -0.1317103 -0.4402214 -0.1509378 ] [ 0.0027934 0.2433309 0.0199157 ] [ -0.1434727 -0.4589913 -0.3533142 ] [ 0.1608365 0.3908853 0.3458959 ] [ 0.0563657 0.0109256 0.090346 ] [ 0.0363444 0.3886688 -0.1692854 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.018997428339648e-11 -2.156494483711142e-10 3.482808333941799e-10 ] [ -2.110231633785543e-10 -7.053124350558451e-10 -2.418290143549863e-10 ] [ 4.47552017254272e-12 3.898590790982227e-10 3.190846892686656e-11 ] [ -2.298686056630522e-10 -7.353851300105991e-10 -5.660717510366554e-10 ] [ 2.576884800712992e-10 6.262672890743942e-10 5.541863242105747e-10 ] [ 9.030780675502656e-11 1.750474088821248e-11 1.447502489827968e-10 ] [ 5.823014797700351e-11 6.22716064594391e-10 -2.712251101227763e-10 ] ] } "relaxed-potential-energy" { "source-value" -15.451353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.475579653632794e-18 } }