{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.026773 2.5022 1.482523 ] [ 1.327692 1.758529 3.84576 ] [ 1.586091 4.007002 3.406328 ] [ 4.160839 1.404559 1.89873 ] [ 3.792152 2.753975 4.110825 ] [ 3.943377 3.908391 2.363825 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026773e-10 2.5022e-10 1.482523e-10 ] [ 1.327692e-10 1.758529e-10 3.84576e-10 ] [ 1.586091e-10 4.007002e-10 3.406328e-10 ] [ 4.160839e-10 1.404559e-10 1.89873e-10 ] [ 3.792152e-10 2.753975e-10 4.110825e-10 ] [ 3.943377e-10 3.908391e-10 2.363825e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7777724 0.5996804 2.0153184 ] [ 2.1523791 0.9442299 -1.0228879 ] [ 3.0825618 -1.4256987 -0.9427973 ] [ -1.1765124 2.9820391 1.9550706 ] [ -3.0541915 -4.3938168 3.5129827 ] [ -1.7820093 1.2935661 -5.5176865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.246128755583506e-09 9.607939168319924e-10 3.228896023948063e-09 ] [ 3.448491473118545e-09 1.512823070440322e-09 -1.638847079079208e-09 ] [ 4.938808448131165e-09 -2.284221125444953e-09 -1.510527792213364e-09 ] [ -1.884980661361298e-09 4.777753328331474e-09 3.132368407333428e-09 ] [ -4.893354216746083e-09 -7.03967055303827e-09 5.62841875121486e-09 ] [ -2.855093638508174e-09 2.072521362879435e-09 -8.840308311203778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.64486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.788324189408909e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9638513 2.5280404 1.5128585 ] [ 1.5478793 1.7160577 3.6783566 ] [ 1.8397184 3.9896476 3.4006643 ] [ 4.0193487 1.579514 2.1428859 ] [ 3.6426811 2.6413499 4.2050033 ] [ 3.8234452 3.8800464 2.1682223 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9638513e-10 2.5280404e-10 1.5128585e-10 ] [ 1.5478793e-10 1.7160577e-10 3.6783566e-10 ] [ 1.8397184e-10 3.9896476e-10 3.4006643e-10 ] [ 4.0193487e-10 1.579514e-10 2.1428859e-10 ] [ 3.6426811e-10 2.6413499e-10 4.205003300000001e-10 ] [ 3.8234452e-10 3.8800464e-10 2.1682223e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.82e-05 2.09e-05 1.37e-05 ] [ 2.95e-05 2.34e-05 -4.58e-05 ] [ 4.8e-06 -6.03e-05 3.61e-05 ] [ 1.52e-05 -8.55e-05 -1.19e-05 ] [ -3.54e-05 7.38e-05 9.7e-06 ] [ 2.41e-05 2.77e-05 -1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.120314691456e-14 3.348549137472e-14 2.194981970496e-14 ] [ 4.72642103136e-14 3.749093292672001e-14 -7.337968923264e-14 ] [ 7.69044777984e-15 -9.661125023424001e-14 5.783857601088001e-14 ] [ 2.435308463616e-14 -1.369861010784e-13 -1.906590178752e-14 ] [ -5.671705237632e-14 1.1824063461504e-13 1.554111322176e-14 ] [ 3.861245656128e-14 4.438029239616e-14 -2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -26.223076 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.201399929266158e-18 } }