{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6019204 0.5573639 0.7414744 ] [ 0.4872526 -0.1188961 0.0787816 ] [ -2.6237489 0.3519925 0.5054427 ] [ 0.6731919 0.5099066 -0.223734 ] [ -0.1857519 -0.5597314 -2.9682695 ] [ 3.1955315 -2.9185424 2.7317457 ] [ -0.9445549 2.177907 -0.8654409 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.643827924625845e-10 8.929954098579092e-10 1.187972948601708e-09 ] [ 7.80664724144014e-10 -1.904925517242989e-10 1.262220376692173e-10 ] [ -4.203709146429717e-09 5.63954154196944e-10 8.098084770940281e-10 ] [ 1.078572323491932e-09 8.169604333116173e-10 -3.584613840780672e-10 ] [ -2.976073514491795e-10 -8.967885630076532e-10 -4.755691997133706e-09 ] [ 5.119805860329955e-09 -4.676020400093523e-09 4.37673909451093e-09 ] [ -1.513343777842082e-09 3.489391677676665e-09 -1.386589176664111e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.184149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.75320417761437e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0292614 1.6100695 2.3608947 ] [ 1.161348 1.4384929 4.5648147 ] [ 2.3884292 3.1774165 5.6185621 ] [ 1.3485744 3.6821723 3.464672 ] [ 4.2458788 2.3620664 2.4408419 ] [ 4.483373 3.3985099 4.595044 ] [ 3.4343683 4.5846496 2.8004915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0292614e-10 1.6100695e-10 2.3608947e-10 ] [ 1.161348e-10 1.4384929e-10 4.5648147e-10 ] [ 2.3884292e-10 3.1774165e-10 5.6185621e-10 ] [ 1.3485744e-10 3.6821723e-10 3.464672e-10 ] [ 4.2458788e-10 2.3620664e-10 2.4408419e-10 ] [ 4.483373e-10 3.3985099e-10 4.595044e-10 ] [ 3.4343683e-10 4.5846496e-10 2.8004915e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.2e-06 -1.65e-05 -2.47e-05 ] [ 2.28e-05 -2.49e-05 7.1e-06 ] [ -5.25e-05 2.69e-05 -4.81e-05 ] [ 2.07e-05 3.7e-06 4.62e-05 ] [ -4.03e-05 7.3e-06 9.5e-06 ] [ 4.1e-05 -1.4e-06 1.68e-05 ] [ 1.64e-05 5e-06 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.313784829056e-14 -2.64359142432e-14 -3.957376253376001e-14 ] [ 3.652962695424e-14 -3.989419785791999e-14 1.137545400768e-14 ] [ -8.4114272592e-14 4.309855109952001e-14 -7.706469546047999e-14 ] [ 3.316505605055999e-14 5.928053496960001e-15 7.402055988096e-14 ] [ -6.456771781824e-14 1.169588933184e-14 1.52206778976e-14 ] [ 6.56892414528e-14 -2.24304726912e-15 2.691656722944e-14 ] [ 2.627569658112e-14 8.010883104e-15 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.244274 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.56392557494693e-18 } }