{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4200819 -36.7008071 -11.4168297 ] [ -0.647507 1.3159779 -6.9033334 ] [ -16.2305881 1.0118534 -10.9875544 ] [ -8.851104 -1.3803605 26.8620413 ] [ -5.2528172 37.9136304 1.8992766 ] [ 11.9154713 9.2644464 -10.933281 ] [ 21.4866269 -11.4247405 11.4796807 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.877398640601244e-09 -5.880117510011064e-08 -1.829177762899508e-08 ] [ -1.037420577204346e-09 2.10842902486948e-09 -1.106035937906778e-08 ] [ -2.600426879565469e-08 1.621167861156991e-09 -1.760400277944817e-08 ] [ -1.418103189706936e-08 -2.211581321375799e-09 4.303773455782404e-08 ] [ -8.415940911176118e-09 6.074433223653216e-08 3.042976564952514e-09 ] [ 1.909068954267338e-08 1.484327942673473e-08 -1.751704720683684e-08 ] [ 3.442537127903238e-08 -1.83044521278069e-08 1.839247603178898e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.223486 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.958418349387611e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3206071 0.5210966 2.8776041 ] [ 3.0313465 3.3812306 0.7110651 ] [ 1.283919 2.4619124 2.0129733 ] [ 3.1528195 3.2751655 5.1363468 ] [ 1.1895233 3.8344398 3.9367399 ] [ 4.9946442 2.8219523 1.9106675 ] [ 4.1960934 1.6323357 3.7923568 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3206071e-10 5.210966000000001e-11 2.8776041e-10 ] [ 3.031346500000001e-10 3.3812306e-10 7.110651e-11 ] [ 1.283919e-10 2.4619124e-10 2.0129733e-10 ] [ 3.1528195e-10 3.2751655e-10 5.136346800000001e-10 ] [ 1.1895233e-10 3.8344398e-10 3.9367399e-10 ] [ 4.9946442e-10 2.8219523e-10 1.9106675e-10 ] [ 4.1960934e-10 1.6323357e-10 3.7923568e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 -1.8e-06 -5.8e-06 ] [ 1.77e-05 -9.8e-06 6.7e-06 ] [ -9.9e-06 8e-07 1.42e-05 ] [ -1.1e-05 -2.6e-06 -2.06e-05 ] [ -1.2e-06 7.8e-06 9.8e-06 ] [ -5.8e-06 2.5e-06 4.9e-06 ] [ 9e-06 3.1e-06 -9.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-15 -2.88391791744e-15 -9.292624400640001e-15 ] [ 2.835852618816e-14 -1.570133088384e-14 1.073458335936e-14 ] [ -1.586154854592e-14 1.28174129664e-15 2.275090801536e-14 ] [ -1.76239428288e-14 -4.16565921408e-15 -3.300483838848e-14 ] [ -1.92261194496e-15 1.249697764224e-14 1.570133088384e-14 ] [ -9.292624400640001e-15 4.005441552e-15 7.850665441919999e-15 ] [ 1.44195895872e-14 4.96674752448e-15 -1.457980724928e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.893559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706646527190543e-18 } }