{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8495841 0.5267621 0.8966685 ] [ 0.1884113 0.623136 2.979456 ] [ 1.483282 2.75051 2.967402 ] [ 1.97645 1.30316 2.052926 ] [ 2.403862 2.938822 1.215589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.495841e-11 5.267621e-11 8.966685e-11 ] [ 1.884113e-11 6.23136e-11 2.979456e-10 ] [ 1.483282e-10 2.75051e-10 2.967402e-10 ] [ 1.97645e-10 1.30316e-10 2.052926e-10 ] [ 2.403862e-10 2.938822e-10 1.215589e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -279.7968965 -143.7546031 -61.3934641 ] [ -148.5030151 -86.2020087 -64.7560547 ] [ -127.104223 202.2188649 234.4020503 ] [ 464.4787616 -128.0402913 69.1246167 ] [ 90.925373 155.7780382 -177.3771482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.482840461446974e-07 -2.303202642192032e-07 -9.836317285094413e-08 ] [ -2.379280589115294e-07 -1.381108430051382e-07 -1.03750636895586e-07 ] [ -2.036434144955496e-07 3.239903376274937e-07 3.755534848582456e-07 ] [ 7.441770126936567e-07 -2.051431612412817e-07 1.107498447985013e-07 ] [ 1.456785068581195e-07 2.495839308381293e-07 -2.841895199102168e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 300.73087 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.818239690668441e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4255746 -0.1014662 0.3197863 ] [ -0.2474683 0.7255112 3.2426653 ] [ 1.2079106 3.1736598 3.6150326 ] [ 2.8816039 0.7317837 2.0496437 ] [ 2.6339686 3.6129016 0.8849136 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.255746000000001e-11 -1.014662e-11 3.197863000000001e-11 ] [ -2.474683e-11 7.255112000000001e-11 3.2426653e-10 ] [ 1.2079106e-10 3.1736598e-10 3.6150326e-10 ] [ 2.8816039e-10 7.317837e-11 2.0496437e-10 ] [ 2.6339686e-10 3.6129016e-10 8.849136e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.85e-05 -2.6e-06 3.88e-05 ] [ -2.62e-05 -2.1e-06 -2.3e-05 ] [ 2.09e-05 2.97e-05 -5.5e-06 ] [ -3.1e-06 3e-07 -5.31e-05 ] [ -2.01e-05 -2.53e-05 4.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.56620336928e-14 -4.16565921408e-15 6.216445288704e-14 ] [ -4.197702746496e-14 -3.36457090368e-15 -3.68500622784e-14 ] [ 3.348549137472e-14 4.758464563776e-14 -8.8119714144e-15 ] [ -4.96674752448e-15 4.8065298624e-16 -8.507557856448001e-14 ] [ -3.220375007808e-14 -4.053506850624e-14 6.857315937023999e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.120343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.781675356987693e-18 } }