{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9749943 -3.1532288 4.8157925 ] [ -1.7106936 2.5339774 -0.2311046 ] [ -5.3301077 2.2502106 -3.8521289 ] [ -0.1282067 3.9107186 0.7589492 ] [ 5.4891237 -3.0846554 -3.3921403 ] [ 0.0052191 -2.3171568 2.5731165 ] [ 2.6496595 -0.1398657 -0.6724845 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.562113085743186e-09 -5.052029505015858e-09 7.715750217692445e-09 ] [ -2.740833313853342e-09 4.059879381364072e-09 -3.702703901299164e-10 ] [ -8.53977401364348e-09 3.60523484489912e-09 -6.171790914736122e-09 ] [ -2.054097790622478e-10 6.265661963069192e-09 1.215970674632992e-09 ] [ 8.794545733275624e-09 -4.942162805821922e-09 -5.43480792790975e-09 ] [ 8.3619200705094e-12 -3.712494482274211e-09 4.122587132859861e-09 ] [ 4.245222538956122e-09 -2.240895564380538e-10 -1.077438952627173e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.480519 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.121123235999304e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5030344 2.9798135 3.6180757 ] [ 2.8133201 5.5390326 0.8258083 ] [ 0.9621038 4.0071742 1.4836841 ] [ 2.3125267 5.2384896 3.2271599 ] [ 3.2118328 3.0597968 1.0979227 ] [ 4.9043223 4.6884195 1.7246378 ] [ 3.9272589 3.3178067 3.5052644 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5030344e-10 2.9798135e-10 3.6180757e-10 ] [ 2.8133201e-10 5.5390326e-10 8.258083e-11 ] [ 9.621038e-11 4.0071742e-10 1.4836841e-10 ] [ 2.3125267e-10 5.2384896e-10 3.2271599e-10 ] [ 3.2118328e-10 3.0597968e-10 1.0979227e-10 ] [ 4.904322299999999e-10 4.6884195e-10 1.7246378e-10 ] [ 3.9272589e-10 3.317806700000001e-10 3.5052644e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.82e-05 -8.8e-06 7.32e-05 ] [ 1.21e-05 1.8e-05 1.9e-05 ] [ 1.35e-05 -5.5e-06 -2.36e-05 ] [ -6.54e-05 2.37e-05 5.25e-05 ] [ 1.79e-05 -4.2e-05 -7.97e-05 ] [ 5.11e-05 -1.79e-05 -2.51e-05 ] [ 1.9e-05 3.26e-05 -1.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.72249137588e-14 -1.40991543792e-14 1.172793296088e-13 ] [ 1.93863372714e-14 2.8839179412e-14 3.0441356046e-14 ] [ 2.162938455899999e-14 -8.811971486999999e-15 -3.78113685624e-14 ] [ -1.047823518636e-13 3.79715862258e-14 8.4114273285e-14 ] [ 2.86789617486e-14 -6.729141862799998e-14 -1.276934777298e-13 ] [ 8.187122599739999e-14 -2.86789617486e-14 -4.02146335134e-14 ] [ 3.0441356046e-14 5.22309582684e-14 -2.62756967976e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.032609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.53001313258581e-18 } }