{ "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" [ [ 1.691051 2.220945 1.919277 ] [ 2.666072 2.808957 4.219459 ] [ 1.090931 4.286689 3.184511 ] [ 3.947256 1.730986 2.765408 ] [ 5.245402 2.932614 3.956238 ] [ 3.932067 4.011287 2.276365 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.691051e-10 2.220945e-10 1.919277e-10 ] [ 2.666072e-10 2.808957e-10 4.219459e-10 ] [ 1.090931e-10 4.286689e-10 3.184511e-10 ] [ 3.947256e-10 1.730986e-10 2.765408e-10 ] [ 5.245402000000001e-10 2.932614e-10 3.956238e-10 ] [ 3.932067e-10 4.011287e-10 2.276365e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1277197 -2.135518 -2.7075669 ] [ -2.4574246 -0.5738925 5.0936072 ] [ -1.1602036 0.761377 0.2562226 ] [ -0.1480432 -3.5498168 -1.5611128 ] [ 4.0188397 0.7174018 2.3599664 ] [ 2.8745514 4.7804484 -3.4411166 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.01115937975559e-09 -3.421477012897574e-09 -4.338000386431932e-09 ] [ -3.937228241498792e-09 -9.194771463524641e-10 8.16085837137855e-09 ] [ -1.858851083287995e-09 1.219860429014842e-09 4.105138594405902e-10 ] [ -2.371913539084186e-10 -5.68743348508307e-09 -2.501178430591627e-09 ] [ 6.438891010082886e-09 1.149404391679837e-09 3.781082991953541e-09 ] [ 4.605539048367909e-09 7.659122663420767e-09 -5.513276565966786e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.697409 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.713913860293551e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.711837 1.9556376 1.763902 ] [ 2.6576249 3.2727867 5.0714199 ] [ 1.691326 4.0128812 2.9437823 ] [ 3.8733423 1.1112899 2.3476119 ] [ 4.6777981 2.8462421 3.7503171 ] [ 3.9608506 4.7926404 2.4442247 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.711837e-10 1.9556376e-10 1.763902e-10 ] [ 2.6576249e-10 3.272786700000001e-10 5.0714199e-10 ] [ 1.691326e-10 4.0128812e-10 2.9437823e-10 ] [ 3.8733423e-10 1.1112899e-10 2.3476119e-10 ] [ 4.677798100000001e-10 2.8462421e-10 3.7503171e-10 ] [ 3.9608506e-10 4.7926404e-10 2.4442247e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.32e-05 5.76e-05 -2.61e-05 ] [ 2.61e-05 3.4e-05 5.98e-05 ] [ -7.42e-05 -3.32e-05 -1.7e-06 ] [ 4.76e-05 -9.9e-06 9e-06 ] [ -3.1e-05 -5.09e-05 -8.6e-06 ] [ 1.82e-05 2.4e-06 -3.24e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114873139456e-14 9.228537335808e-14 -4.181680980288e-14 ] [ 4.181680980288e-14 5.44740051072e-14 9.581016192383999e-14 ] [ -1.1888150526336e-13 -5.319226381056e-14 -2.72370025536e-15 ] [ 7.626360715008e-14 -1.586154854592e-14 1.44195895872e-14 ] [ -4.96674752448e-14 -8.155078999872e-14 -1.377871893888e-14 ] [ 2.915961449856e-14 3.84522388992e-15 -5.191052251392001e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }