{ "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" [ [ -0.743691 -0.4147408 0.287787 ] [ 0.3651947 -0.8102695 0.7838856 ] [ -3.6570469 0.6274247 2.5705518 ] [ -0.7267337 1.507852 -1.1286377 ] [ 0.6379955 -1.9373196 -5.3616106 ] [ 4.8757231 -4.8202273 4.429571 ] [ -0.7514417 5.8472805 -1.581547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.191524333299373e-09 -6.644880134518887e-10 4.610856031701696e-10 ] [ 5.851064103800697e-10 -1.298194849447306e-09 1.25592318170178e-09 ] [ -5.859235044349116e-09 1.005245185652454e-09 4.118477996515357e-09 ] [ -1.164355743687481e-09 2.415845222026522e-09 -1.808276936293484e-09 ] [ 1.022181474275606e-09 -3.103928170137608e-09 -8.59024715315346e-09 ] [ 7.811769560314501e-09 -7.722855487001908e-09 7.096955096373677e-09 ] [ -1.203942323634207e-09 9.368376112359733e-09 -2.533917628096378e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.377709 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.623998246206575e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1467334 1.5999061 2.2401797 ] [ 1.8157432 1.4929676 4.7161416 ] [ 2.5721704 3.9892798 5.3093892 ] [ 0.9343236 3.543647 3.2418267 ] [ 4.2978787 2.7034004 2.4890112 ] [ 4.2201196 2.1640477 4.8575688 ] [ 3.1042641 4.7601284 2.9912039 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1467334e-10 1.5999061e-10 2.2401797e-10 ] [ 1.8157432e-10 1.4929676e-10 4.7161416e-10 ] [ 2.5721704e-10 3.9892798e-10 5.3093892e-10 ] [ 9.343236000000001e-11 3.543647e-10 3.2418267e-10 ] [ 4.2978787e-10 2.7034004e-10 2.4890112e-10 ] [ 4.220119600000001e-10 2.1640477e-10 4.8575688e-10 ] [ 3.1042641e-10 4.7601284e-10 2.9912039e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-06 2.72e-05 4.1e-05 ] [ -9.5e-06 5.5e-06 -2.92e-05 ] [ -3e-05 4.9e-06 4.8e-06 ] [ 2.55e-05 -5.38e-05 3.41e-05 ] [ 1.5e-05 -9.5e-06 -4.09e-05 ] [ -2.5e-05 8.8e-06 -1.4e-06 ] [ 3.11e-05 1.69e-05 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-14 4.357920408576e-14 6.56892414528e-14 ] [ -1.52206778976e-14 8.8119714144e-15 -4.678355732736e-14 ] [ -4.8065298624e-14 7.850665441919999e-15 7.69044777984e-15 ] [ 4.08555038304e-14 -8.619710219904001e-14 5.463422276928e-14 ] [ 2.4032649312e-14 -1.52206778976e-14 -6.552902379072e-14 ] [ -4.005441552e-14 1.409915426304e-14 -2.24304726912e-15 ] [ 4.982769290688e-14 2.707678489152e-14 -1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.651699 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.148549269679874e-18 } }