{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.060429 2.678734 2.453953 ] [ 2.544795 1.257014 4.108114 ] [ 3.849483 1.551428 2.063601 ] [ 4.178567 2.654376 4.014408 ] [ 4.257126 3.923601 2.295059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.060429e-10 2.678734e-10 2.453953e-10 ] [ 2.544795e-10 1.257014e-10 4.108114e-10 ] [ 3.849483e-10 1.551428e-10 2.063601e-10 ] [ 4.178567e-10 2.654376e-10 4.014408000000001e-10 ] [ 4.257126000000001e-10 3.923601e-10 2.295059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3524249 3.2295436 -2.3031597 ] [ -2.7960666 -3.393399 2.2225368 ] [ 3.4699375 -4.208581 -3.99089 ] [ 5.3607442 1.3148837 6.9428443 ] [ 0.3178097 3.0575527 -2.8713314 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.017770666016778e-08 5.174299251774267e-09 -3.690068625308742e-09 ] [ -4.479792536719745e-09 -5.4368245428461e-09 3.560896499827645e-09 ] [ 5.5594527381372e-09 -6.742890084943085e-09 -6.394110654184512e-09 ] [ 8.5888590273292e-09 2.106675923211001e-09 1.112366281931454e-08 ] [ 5.091872712034617e-10 4.898739452803916e-09 -4.600380039648933e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.928465 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.750933112423107e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8711035 2.7685665 2.2012818 ] [ 2.4839354 1.3957257 4.0734913 ] [ 3.9720214 1.4432221 2.0814943 ] [ 4.5880756 2.5424143 4.2255543 ] [ 3.975264 3.9152245 2.3533133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8711035e-10 2.7685665e-10 2.2012818e-10 ] [ 2.4839354e-10 1.3957257e-10 4.0734913e-10 ] [ 3.9720214e-10 1.4432221e-10 2.0814943e-10 ] [ 4.5880756e-10 2.5424143e-10 4.2255543e-10 ] [ 3.975264e-10 3.9152245e-10 2.3533133e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.9e-06 -9.2e-06 -3.43e-05 ] [ -7.6e-06 7.1e-06 1.19e-05 ] [ -7.8e-06 -5.8e-06 6.2e-06 ] [ 3.33e-05 -9.3e-06 -2.8e-06 ] [ -9e-06 1.71e-05 1.9e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.425937192512e-14 -1.474002491136e-14 -5.495465809344e-14 ] [ -1.217654231808e-14 1.137545400768e-14 1.906590178752e-14 ] [ -1.249697764224e-14 -9.292624400640001e-15 9.93349504896e-15 ] [ 5.335248147264001e-14 -1.490024257344e-14 -4.48609453824e-15 ] [ -1.44195895872e-14 2.739722021568e-14 3.04413557952e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.9991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.242903073224128e-18 } }