{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9685462 -3.7487365 0.9712078 ] [ -4.342051 1.8643687 -7.1719713 ] [ -2.9461346 -1.5826469 3.3815479 ] [ 4.2816498 0.5801272 -0.0606464 ] [ 0.5976104 0.0739195 -1.3278297 ] [ 0.1108115 -0.1864459 0.5668601 ] [ 6.2666601 2.999414 3.6408316 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.358311940204681e-09 -6.00613797783962e-09 1.556046431098602e-09 ] [ -6.956732598521261e-09 2.987047943691289e-09 -1.149076474190858e-08 ] [ -4.72022797784996e-09 -2.535679862161596e-09 5.417836987495336e-09 ] [ 6.859959208012996e-09 9.294662369301658e-10 -9.716624421568512e-11 ] [ 9.574774112269362e-10 1.184320947212256e-10 -2.127417701743878e-09 ] [ 1.775395946157792e-10 -2.987192620240147e-10 9.0820999948435e-10 ] [ 1.004029630272019e-08 4.805590986900212e-09 5.833255269789857e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.582476158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.944112788009312e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1463856 1.6800861 2.944446 ] [ 1.824095 4.0267262 2.4092205 ] [ 1.5946203 3.1919016 4.7250665 ] [ 4.5046122 1.4670652 2.5587711 ] [ 3.9723226 2.5687997 4.5806314 ] [ 4.2436501 3.8398605 2.3197578 ] [ 3.2500872 4.8967467 4.2319568 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1463856e-10 1.6800861e-10 2.944446e-10 ] [ 1.824095e-10 4.0267262e-10 2.4092205e-10 ] [ 1.5946203e-10 3.1919016e-10 4.7250665e-10 ] [ 4.504612200000001e-10 1.4670652e-10 2.5587711e-10 ] [ 3.9723226e-10 2.5687997e-10 4.5806314e-10 ] [ 4.2436501e-10 3.8398605e-10 2.3197578e-10 ] [ 3.2500872e-10 4.896746699999999e-10 4.2319568e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.56e-05 -4.53e-05 1.44e-05 ] [ 4.46e-05 3.33e-05 -5.5e-06 ] [ 3.89e-05 2.96e-05 1.04e-05 ] [ -4.4e-06 5.06e-05 -5.2e-06 ] [ -3.85e-05 -4e-07 -2.47e-05 ] [ -3.9e-05 -2.63e-05 3.64e-05 ] [ -1.72e-05 -4.15e-05 -2.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.499395528448e-14 -7.257860092224001e-14 2.307134333952e-14 ] [ 7.145707728768e-14 5.335248147264001e-14 -8.8119714144e-15 ] [ 6.232467054911999e-14 4.742442797568e-14 1.666263685632e-14 ] [ -7.04957713152e-15 8.107013701248e-14 -8.33131842816e-15 ] [ -6.16837999008e-14 -6.408706483200001e-16 -3.957376253376001e-14 ] [ -6.248488821120001e-14 -4.213724512704e-14 5.831922899712e-14 ] [ -2.755743787776e-14 -6.64903297632e-14 -4.133615681664e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.103202158928926 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.298276105265201e-18 } }