{ "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" [ [ 0.0221122 0.00357 0.1110342 ] [ 0.2725629 2.182164 0.260904 ] [ 0.3472204 2.881652 2.59775 ] [ 1.734388 0.2655593 2.566686 ] [ 2.338795 2.363947 0.0295877 ] [ 1.600298 1.908592 1.497057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.21122e-12 3.57e-13 1.110342e-11 ] [ 2.725629e-11 2.182164e-10 2.60904e-11 ] [ 3.472204e-11 2.881652e-10 2.59775e-10 ] [ 1.734388e-10 2.655593e-11 2.566686e-10 ] [ 2.338795e-10 2.363947e-10 2.95877e-12 ] [ 1.600298e-10 1.908592e-10 1.497057e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1614209 -11.6052422 -2.8275306 ] [ -40.2694868 10.5416412 -24.3130479 ] [ -13.5411166 12.6802511 14.1114735 ] [ -0.2860032 -24.6153014 11.0948211 ] [ 31.6401325 10.5190637 -41.7077357 ] [ 23.617895 2.4795876 43.6420196 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.860801412888495e-09 -1.859364773156156e-08 -4.530203421916596e-09 ] [ -6.451883028257422e-08 1.688957107550206e-08 -3.895379692577054e-08 ] [ -2.169526043604678e-08 2.031600185829348e-08 2.260907292673875e-08 ] [ -4.582276405139866e-10 -3.943806041702551e-08 1.777586297837854e-08 ] [ 5.069308057051425e-08 1.685339793284594e-08 -6.682315904504553e-08 ] [ 3.784003920150921e-08 3.972737281945582e-09 6.992222348761537e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 58.594245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.38783294524273e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.4267231 0.0150466 0.0603442 ] [ -0.3075198 1.8467464 -0.1699978 ] [ 0.1039407 2.9215842 2.7744001 ] [ 1.6338339 0.2617243 2.4481639 ] [ 2.6488966 2.4780952 -0.0152358 ] [ 2.6629482 2.0822875 1.9653444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.267231e-11 1.50466e-12 6.03442e-12 ] [ -3.075198e-11 1.8467464e-10 -1.699978e-11 ] [ 1.039407e-11 2.9215842e-10 2.7744001e-10 ] [ 1.6338339e-10 2.617243e-11 2.4481639e-10 ] [ 2.6488966e-10 2.4780952e-10 -1.52358e-12 ] [ 2.6629482e-10 2.0822875e-10 1.9653444e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4875536 -0.8049049 0.8197807 ] [ -0.9323893 1.1799339 -1.3899239 ] [ -0.4887955 -0.0691015 0.1005318 ] [ 0.0264069 0.6360125 -0.5550824 ] [ -0.6135879 -0.4487302 1.0764346 ] [ 1.5208121 -0.4932098 -0.0517408 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.811469793068748e-10 -1.289599812747362e-09 1.313433471723059e-09 ] [ -1.493852337944077e-09 1.890462508669365e-09 -2.226903577271157e-09 ] [ -7.831367224522464e-10 -1.107128077622112e-10 1.610696996069415e-10 ] [ 4.230851780780352e-11 1.01900435803656e-09 -8.893400438975539e-10 ] [ -9.830761881857684e-10 -7.189450354869082e-10 1.7246383499402e-09 ] [ 2.436609591249752e-09 -7.902092107094439e-10 -8.289790010148866e-11 ] ] } "relaxed-potential-energy" { "source-value" -22.681106 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.63391377670866e-18 } }