{ "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" [ [ -279.7968968 -143.7546033 -61.3934644 ] [ -148.5030151 -86.2020087 -64.7560547 ] [ -127.1042232 202.2188655 234.4020506 ] [ 464.4787621 -128.0402917 69.1246167 ] [ 90.925373 155.7780382 -177.3771482 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.482840466253504e-07 -2.303202645396386e-07 -9.83631733315971e-08 ] [ -2.379280589115294e-07 -1.381108430051382e-07 -1.03750636895586e-07 ] [ -2.03643414815985e-07 3.239903385887997e-07 3.755534853388986e-07 ] [ 7.441770134947451e-07 -2.051431618821523e-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 3.87e-05 ] [ -2.63e-05 -2.2e-06 -2.31e-05 ] [ 2.09e-05 2.98e-05 -5.4e-06 ] [ -3e-06 2e-07 -5.31e-05 ] [ -2.01e-05 -2.52e-05 4.28e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.56620336928e-14 -4.16565921408e-15 6.200423522496e-14 ] [ -4.213724512704e-14 -3.52478856576e-15 -3.701027994048e-14 ] [ 3.348549137472e-14 4.774486329984001e-14 -8.65175375232e-15 ] [ -4.8065298624e-15 3.2043532416e-16 -8.507557856448001e-14 ] [ -3.220375007808e-14 -4.037485084416e-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 } }