{ "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" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4537734 -1.3654108 -5.2248845 ] [ -3.534461 -5.7563197 -2.0461284 ] [ -10.0960248 -0.884201 7.7654283 ] [ -11.9212903 11.2404911 -4.4232366 ] [ 7.0623503 -9.3050381 10.5900548 ] [ 12.1089956 -3.8114751 -12.5595615 ] [ 7.8342037 9.8819536 5.8983278 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.329201753420927e-09 -2.187629261547825e-09 -8.371187792280297e-09 ] [ -5.662830781329389e-09 -9.222640845190469e-09 -3.278259085634911e-09 ] [ -1.6175614897577e-08 -1.416646170287981e-09 1.244158767275869e-08 ] [ -1.910001260842982e-08 1.800925204673047e-08 -7.086806268786882e-09 ] [ 1.131513253855987e-08 -1.490831449947325e-08 1.696713821355082e-08 ] [ 1.940074965169007e-08 -6.106656295981342e-09 -2.012263580279978e-08 ] [ 1.255177801072486e-08 1.583263502575039e-08 9.450162902974698e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.4131225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.264071831826448e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.9546418 3.07097 1.0684365 ] [ 1.2005571 1.2930169 2.5226208 ] [ 1.1895734 2.7737009 4.4336098 ] [ 1.583035 4.6906866 2.909719 ] [ 3.4842698 2.9345248 5.1772039 ] [ 4.3384706 3.2664179 1.4199822 ] [ 4.0000404 4.5411959 3.446021 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9546418e-10 3.07097e-10 1.0684365e-10 ] [ 1.2005571e-10 1.2930169e-10 2.5226208e-10 ] [ 1.1895734e-10 2.7737009e-10 4.4336098e-10 ] [ 1.583035e-10 4.6906866e-10 2.909719e-10 ] [ 3.4842698e-10 2.9345248e-10 5.1772039e-10 ] [ 4.3384706e-10 3.2664179e-10 1.4199822e-10 ] [ 4.0000404e-10 4.5411959e-10 3.446021e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.41e-05 5.4e-06 6.3e-06 ] [ 1.6e-06 9.4e-06 1.07e-05 ] [ 3.5e-06 -7.8e-06 3.2e-06 ] [ 1e-06 -6.5e-06 -5.5e-06 ] [ -1.71e-05 -1.4e-06 9.2e-06 ] [ -9.1e-06 1.85e-05 2e-07 ] [ 6.1e-06 -1.75e-05 -2.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.259069035328e-14 8.65175375232e-15 1.009371271104e-14 ] [ 2.56348259328e-15 1.506046023552e-14 1.714328984256e-14 ] [ 5.6076181728e-15 -1.249697764224e-14 5.126965186560001e-15 ] [ 1.6021766208e-15 -1.04141480352e-14 -8.8119714144e-15 ] [ -2.739722021568e-14 -2.24304726912e-15 1.474002491136e-14 ] [ -1.457980724928e-14 2.96402674848e-14 3.2043532416e-16 ] [ 9.77327738688e-15 -2.8038090864e-14 -3.84522388992e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.267203 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.805204922840762e-18 } }