{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.363177 -3.1794309 -1.4436354 ] [ -3.8986171 2.8467335 4.5937031 ] [ -2.587724 0.9652029 0.250981 ] [ 4.8082043 -1.8121036 -1.5098076 ] [ 2.8285256 -3.8391987 2.8429681 ] [ 0.3158989 0.1441578 -6.9267674 ] [ 1.8968894 4.874639 2.1925584 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.388403561012282e-09 -5.094009855429102e-09 -2.312958886839256e-09 ] [ -6.246273171071096e-09 4.560969859348156e-09 7.359923709716484e-09 ] [ -4.14599089388306e-09 1.54642552070836e-09 4.021158904650048e-10 ] [ 7.703592517490029e-09 -2.903310022387515e-09 -2.418978438626158e-09 ] [ 4.531797587654293e-09 -6.151074399745753e-09 4.554937023500197e-09 ] [ 5.061258321164372e-10 2.309662568659622e-10 -1.10979047859996e-08 ] [ 3.03915184892334e-09 7.810032640639892e-09 3.512865808218654e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.113392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.664479601458576e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1607878 1.4747917 2.5155742 ] [ 2.087123 3.222443 4.408591 ] [ 1.6265843 3.9898557 2.3368732 ] [ 4.662552 1.9701961 2.143022 ] [ 3.963397 1.9741294 4.2887619 ] [ 3.2183476 3.2160183 0.9366898 ] [ 4.0624134 4.2742707 3.130003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1607878e-10 1.4747917e-10 2.5155742e-10 ] [ 2.087123e-10 3.222443e-10 4.408591e-10 ] [ 1.6265843e-10 3.989855700000001e-10 2.3368732e-10 ] [ 4.662552e-10 1.9701961e-10 2.143022e-10 ] [ 3.963397e-10 1.9741294e-10 4.2887619e-10 ] [ 3.2183476e-10 3.2160183e-10 9.366898e-11 ] [ 4.0624134e-10 4.2742707e-10 3.130003e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 -1.54e-05 -1.37e-05 ] [ 3e-05 -5.25e-05 -4.56e-05 ] [ 1.13e-05 6.79e-05 -2.12e-05 ] [ 1.34e-05 4.4e-06 -4.1e-06 ] [ -1.8e-06 5.73e-05 6.6e-06 ] [ -3.69e-05 -2.3e-05 8.09e-05 ] [ -1.37e-05 -3.86e-05 -2.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-15 -2.467351996032e-14 -2.194981970496e-14 ] [ 4.8065298624e-14 -8.4114272592e-14 -7.305925390848e-14 ] [ 1.810459581504e-14 1.0878779255232e-13 -3.396614436096001e-14 ] [ 2.146916671872e-14 7.04957713152e-15 -6.568924145279999e-15 ] [ -2.88391791744e-15 9.180472037184001e-14 1.057436569728e-14 ] [ -5.912031730752001e-14 -3.68500622784e-14 1.2961608862272e-13 ] [ -2.194981970496e-14 -6.184401756288e-14 -4.646312200320001e-15 ] ] } "relaxed-potential-energy" { "source-value" -32.399964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.191046483556165e-18 } }