{ "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" [ [ 2.448876 1.489587 3.211478 ] [ 1.818052 3.686595 2.502768 ] [ 2.645526 3.343853 4.556562 ] [ 4.834539 1.578647 2.504909 ] [ 4.649923 2.062861 4.836234 ] [ 4.865091 3.729921 2.57452 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.448876e-10 1.489587e-10 3.211478e-10 ] [ 1.818052e-10 3.686595e-10 2.502768e-10 ] [ 2.645526e-10 3.343853e-10 4.556562e-10 ] [ 4.834539e-10 1.578647e-10 2.504909e-10 ] [ 4.649923e-10 2.062861e-10 4.836234000000001e-10 ] [ 4.865090999999999e-10 3.729921e-10 2.57452e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6877192 -3.744016 -2.1845505 ] [ -1.646091 1.5243489 -2.9534958 ] [ 0.4040217 2.3735739 4.5772986 ] [ -0.076571 -4.6423602 -1.4425958 ] [ 1.4277746 0.1604799 2.0766319 ] [ 0.5785849 4.3279735 -0.0732884 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.101847623915279e-09 -5.998574903101133e-09 -3.50003573805695e-09 ] [ -2.637328515909292e-09 2.442276169522197e-09 -4.732021920390992e-09 ] [ 6.473141220358714e-10 3.802884610321076e-09 7.333640803340571e-09 ] [ -1.226802660312768e-10 -7.437880977772412e-09 -2.311293264024273e-09 ] [ 2.287547083892072e-09 2.571171438883219e-10 3.327131080187484e-09 ] [ 9.269951999279059e-10 6.934177957141948e-09 -1.174209610558387e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.424774 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.67023291799237e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4756344 2.0237764 2.4816448 ] [ 0.77483 3.6406782 3.3207916 ] [ 2.2105949 2.5050391 5.0119983 ] [ 4.8276913 2.1236578 2.8283713 ] [ 4.5865283 2.5615512 5.1307409 ] [ 6.3867281 3.0367613 1.4129241 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4756344e-10 2.0237764e-10 2.481644800000001e-10 ] [ 7.7483e-11 3.6406782e-10 3.3207916e-10 ] [ 2.2105949e-10 2.5050391e-10 5.011998300000001e-10 ] [ 4.8276913e-10 2.1236578e-10 2.8283713e-10 ] [ 4.586528300000001e-10 2.5615512e-10 5.1307409e-10 ] [ 6.3867281e-10 3.036761300000001e-10 1.4129241e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-07 -1.1e-06 -6.7e-06 ] [ 1.9e-06 2.8e-06 1.3e-06 ] [ -1.46e-05 -3.8e-06 2.3e-06 ] [ -1e-06 -6e-07 1.7e-05 ] [ 1.27e-05 1.4e-06 -8.5e-06 ] [ 1e-07 1.3e-06 -5.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-15 -1.76239428288e-15 -1.073458335936e-14 ] [ 3.04413557952e-15 4.48609453824e-15 2.08282960704e-15 ] [ -2.339177866368e-14 -6.08827115904e-15 3.68500622784e-15 ] [ -1.6021766208e-15 -9.6130597248e-16 2.72370025536e-14 ] [ 2.034764308416e-14 2.24304726912e-15 -1.36185012768e-14 ] [ 1.6021766208e-16 2.08282960704e-15 -8.8119714144e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.830263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.215852403811527e-18 } }