{ "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" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.0846601 -4.6797757 -0.8505619 ] [ -19.5535204 -13.0868969 1.5357199 ] [ -6.5153611 10.5888962 -7.4790969 ] [ 8.6255553 -4.4792787 -7.8301984 ] [ 7.8573934 -11.1220658 5.0166365 ] [ 5.220378 8.3055646 -0.8336293 ] [ 16.4502149 14.4735562 10.4411301 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.936175988253459e-08 -7.497827217127956e-09 -1.362750390723228e-09 ] [ -3.132819323921586e-08 -2.0967520252e-08 2.460494519877314e-09 ] [ -1.043875923048977e-08 1.696528193171796e-08 -1.198283419787776e-08 ] [ 1.381966304307753e-08 -7.176595611187417e-09 -1.254536081270557e-08 ] [ 1.258893200590822e-08 -1.781951379975925e-08 8.037537715351938e-09 ] [ 8.363967583338663e-09 1.33069814246641e-08 -1.335621374873869e-09 ] [ 2.635614971991581e-08 2.318919336347489e-08 1.672853454095117e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -15.611688 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.501268152482391e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6841038 2.4891357 1.4324613 ] [ 1.6715647 2.7554192 5.0003325 ] [ 2.4250139 4.2715529 3.128869 ] [ 5.2352907 2.3549242 1.8682365 ] [ 3.5638093 1.7910958 3.6371745 ] [ 4.2127248 4.5818102 1.4116613 ] [ 4.0408617 3.8440259 5.0044129 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6841038e-10 2.4891357e-10 1.4324613e-10 ] [ 1.6715647e-10 2.7554192e-10 5.0003325e-10 ] [ 2.4250139e-10 4.2715529e-10 3.128869e-10 ] [ 5.2352907e-10 2.3549242e-10 1.8682365e-10 ] [ 3.5638093e-10 1.7910958e-10 3.6371745e-10 ] [ 4.2127248e-10 4.5818102e-10 1.4116613e-10 ] [ 4.0408617e-10 3.8440259e-10 5.0044129e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.54e-05 -1.94e-05 -0.0001707 ] [ 0.0001626 4.51e-05 -0.0001121 ] [ -2.31e-05 -8.6e-06 9.65e-05 ] [ -3.13e-05 -7.98e-05 -2.28e-05 ] [ -1.15e-05 6.64e-05 0.0001249 ] [ -5.33e-05 1.74e-05 1.38e-05 ] [ -6.89e-05 -2.1e-05 7.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.069528616832e-14 -3.108222644352e-14 -2.7349154917056e-13 ] [ 2.6051391854208e-13 7.225816559807999e-14 -1.7960399919168e-13 ] [ -3.701027994048e-14 -1.377871893888e-14 1.546100439072e-13 ] [ -5.014812823104e-14 -1.2785369433984e-13 -3.652962695424e-14 ] [ -1.84250311392e-14 1.0638452762112e-13 2.0011185993792e-13 ] [ -8.539601388864e-14 2.787787320192e-14 2.211003736704e-14 ] [ -1.1038996917312e-13 -3.36457090368e-14 1.1279323410432e-13 ] ] } "relaxed-potential-energy" { "source-value" -25.048536 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.013217876446715e-18 } }