{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2485751 -4.1237346 0.6382902 ] [ -1.9600595 0.2128169 -5.0546885 ] [ -7.3303491 3.5171624 1.1238196 ] [ -0.5809493 1.4593231 3.0135368 ] [ -1.2289351 -7.9735739 2.2211555 ] [ 4.3639826 8.538077 -4.2766559 ] [ 8.9848855 -1.6300709 2.3345423 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.602614485014213e-09 -6.606951220937335e-09 1.022653644151187e-09 ] [ -3.140361532149723e-09 3.409702645003146e-10 -8.098503806848509e-09 ] [ -1.174451404708293e-08 5.635115415263361e-09 1.800557503951226e-09 ] [ -9.307833939986561e-10 2.338093372276445e-09 4.82821824665913e-09 ] [ -1.968971101922453e-09 -1.277507379205225e-08 3.558683442580587e-09 ] [ 6.991870952902568e-09 1.367950746869282e-08 -6.851958154638239e-09 ] [ 1.439537360726541e-08 -2.61166150774335e-09 3.740349124144617e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.339731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.816825204404545e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8104961 1.7333715 3.8220746 ] [ 2.2942135 3.5750266 0.7698533 ] [ 1.1115145 3.9732454 2.9255685 ] [ 3.1167964 5.0672669 3.7313522 ] [ 3.4321574 1.7177494 1.8295347 ] [ 4.1107317 5.2040979 1.3662788 ] [ 4.5329335 3.0869393 3.5272997 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8104961e-10 1.7333715e-10 3.8220746e-10 ] [ 2.2942135e-10 3.5750266e-10 7.698533e-11 ] [ 1.1115145e-10 3.9732454e-10 2.9255685e-10 ] [ 3.1167964e-10 5.0672669e-10 3.7313522e-10 ] [ 3.4321574e-10 1.7177494e-10 1.8295347e-10 ] [ 4.1107317e-10 5.2040979e-10 1.3662788e-10 ] [ 4.532933500000001e-10 3.0869393e-10 3.5272997e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.94e-05 -2.52e-05 1.16e-05 ] [ -2.81e-05 8.4e-06 -2.08e-05 ] [ 1.73e-05 -6.1e-06 5.4e-06 ] [ -1.98e-05 3.2e-05 -1.82e-05 ] [ -1.86e-05 1.95e-05 -1.81e-05 ] [ 2.46e-05 8.2e-06 -1.86e-05 ] [ -4.9e-06 -3.69e-05 5.87e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.710399303959999e-14 -4.037485117679999e-14 1.85852489544e-14 ] [ -4.50211634154e-14 1.34582837256e-14 -3.332527398719999e-14 ] [ 2.77176557682e-14 -9.773277467399999e-15 8.6517538236e-15 ] [ -3.17230973532e-14 5.126965228799999e-14 -2.915961473879999e-14 ] [ -2.98004853924e-14 3.1242444363e-14 -2.899939707539999e-14 ] [ 3.94135451964e-14 1.31378483988e-14 -2.98004853924e-14 ] [ -7.850665506599998e-15 -5.91203177946e-14 9.404776841579999e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.714404 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.998378080803613e-18 } }