{ "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" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.1714814 9.4372668 6.3346023 ] [ 11.6246126 -5.1109075 -10.4401861 ] [ -3.5511803 -12.6742443 -7.2507839 ] [ 3.9821892 -2.778418 4.6485105 ] [ -4.843476 -8.9302403 11.310526 ] [ -2.5063666 4.2666624 -8.4018543 ] [ 7.4657026 15.789881 3.7991856 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.950086293958205e-08 1.512016823121203e-08 1.014915170712591e-08 ] [ 1.86246825335771e-08 -8.188576507571375e-09 -1.672702208622113e-08 ] [ -5.68961805290553e-09 -2.030637790376766e-08 -1.161703644705305e-08 ] [ 6.380170435842255e-09 -4.451516362409895e-09 7.44773484464332e-09 ] [ -7.760104010605901e-09 -1.430782222678598e-08 1.812146032615054e-08 ] [ -4.015641969673985e-09 6.835946746126419e-09 -1.346125453082795e-08 ] [ 1.196137416356577e-08 2.529817818341413e-08 6.086966346400021e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6913452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.39250700827423e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8005508 4.123566 3.4153036 ] [ 5.5062375 2.7028544 1.6428177 ] [ 3.3942491 1.1076492 1.8634974 ] [ 5.5243724 2.1888822 4.248445 ] [ 3.1569486 1.8350529 4.1344984 ] [ 3.0238268 3.486402 1.1159469 ] [ 5.1539208 4.5676314 3.5009006 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8005508e-10 4.123566000000001e-10 3.4153036e-10 ] [ 5.506237500000001e-10 2.7028544e-10 1.6428177e-10 ] [ 3.3942491e-10 1.1076492e-10 1.8634974e-10 ] [ 5.5243724e-10 2.1888822e-10 4.248445e-10 ] [ 3.1569486e-10 1.8350529e-10 4.1344984e-10 ] [ 3.0238268e-10 3.486402e-10 1.1159469e-10 ] [ 5.1539208e-10 4.5676314e-10 3.5009006e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.9e-06 1.5e-06 2e-07 ] [ 1.3e-06 5.7e-06 -1.7e-06 ] [ 1e-06 -2e-07 -1.2e-06 ] [ -4e-07 -1.7e-06 2.8e-06 ] [ -3.2e-06 1.2e-06 -7e-07 ] [ -2.5e-06 -4.6e-06 2e-06 ] [ 2e-06 -1.8e-06 -1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.04413557952e-15 2.4032649312e-15 3.2043532416e-16 ] [ 2.08282960704e-15 9.13240673856e-15 -2.72370025536e-15 ] [ 1.6021766208e-15 -3.2043532416e-16 -1.92261194496e-15 ] [ -6.408706483200001e-16 -2.72370025536e-15 4.48609453824e-15 ] [ -5.126965186560001e-15 1.92261194496e-15 -1.12152363456e-15 ] [ -4.005441552e-15 -7.370012455680001e-15 3.2043532416e-15 ] [ 3.2043532416e-15 -2.88391791744e-15 -2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.968507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.039089844688114e-18 } }