{ "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" [ [ -12.2926767 -8.2428117 -15.1696661 ] [ -16.0107467 -7.4191795 12.3584899 ] [ -13.3635206 16.0348465 -2.6245787 ] [ 13.5159332 -9.2756356 -11.5963724 ] [ 9.5625073 -15.5311748 8.5616143 ] [ 10.2825403 14.2161098 -8.6394731 ] [ 8.3059632 10.2178453 17.1099859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.969503921579289e-08 -1.320644019539671e-08 -2.430448437076232e-08 ] [ -2.565204404429075e-08 -1.188683594041863e-08 1.980048358617293e-08 ] [ -2.141072027689919e-08 2.569065618041671e-08 -4.205038632589657e-09 ] [ 2.165491218133453e-08 -1.486120650138018e-08 -1.857943674537039e-08 ] [ 1.532082563228933e-08 -2.488368515811812e-08 1.371721826776696e-08 ] [ 1.647444567109382e-08 2.277671876028577e-08 -1.38419618168505e-08 ] [ 1.330762005226516e-08 1.637079285461116e-08 2.741321939119765e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 155.74645 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.495333209625962e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.7046178 0.1966879 -1.9374448 ] [ -2.7995885 0.6529318 8.0249476 ] [ -1.8350431 9.0461283 2.6748169 ] [ 9.2489405 -0.780232 -2.7090904 ] [ 6.5051565 -2.7628573 6.700524 ] [ 7.654438 8.8351175 -0.4724382 ] [ 5.7640834 6.9001877 9.2018329 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.046178e-11 1.966879e-11 -1.9374448e-10 ] [ -2.7995885e-10 6.529318e-11 8.024947600000001e-10 ] [ -1.8350431e-10 9.046128299999999e-10 2.6748169e-10 ] [ 9.2489405e-10 -7.80232e-11 -2.7090904e-10 ] [ 6.5051565e-10 -2.7628573e-10 6.700524e-10 ] [ 7.654438e-10 8.835117500000001e-10 -4.724382e-11 ] [ 5.7640834e-10 6.900187700000001e-10 9.2018329e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 -0.0 0.0 ] [ -0.0 0.0 -0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 6.2172489e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.961130833274518e-34 } }