{ "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" [ [ 2.4718 1.858527 2.216013 ] [ 2.961187 3.9638 1.175243 ] [ 2.62986 4.035161 3.548452 ] [ 4.200659 2.412747 0.4103634 ] [ 4.64949 3.303863 2.581344 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4718e-10 1.858527e-10 2.216013e-10 ] [ 2.961187e-10 3.9638e-10 1.175243e-10 ] [ 2.62986e-10 4.035161000000001e-10 3.548452e-10 ] [ 4.200659e-10 2.412747e-10 4.103634e-11 ] [ 4.64949e-10 3.303863e-10 2.581344e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7013803 -2.6321492 0.7017579 ] [ -5.9483687 7.6810174 -2.6502469 ] [ -2.0470174 -0.1264878 2.2015388 ] [ 3.3146826 -5.5890266 -3.7323439 ] [ 7.3820837 0.6666461 3.4792941 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32808839620791e-09 -4.217167945441793e-09 1.124340110104909e-09 ] [ -9.530337341556955e-09 1.230634660362743e-08 -4.246163657510934e-09 ] [ -3.279683447671431e-09 -2.026557976460652e-10 3.527254024204398e-09 ] [ 5.310707010846367e-09 -8.954607825324464e-09 -5.979874186632432e-09 ] [ 1.182740201437226e-08 1.068084804567227e-09 5.574443709834059e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.0983171 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.137275779834264e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2940208 1.459071 2.3207588 ] [ 2.6572328 4.5736736 0.8098514 ] [ 2.7982932 3.7244544 3.1025232 ] [ 3.9668696 2.5051848 0.8700243 ] [ 5.1965796 3.3117141 2.8282576 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2940208e-10 1.459071e-10 2.3207588e-10 ] [ 2.6572328e-10 4.5736736e-10 8.098514000000001e-11 ] [ 2.7982932e-10 3.7244544e-10 3.1025232e-10 ] [ 3.9668696e-10 2.5051848e-10 8.700243e-11 ] [ 5.1965796e-10 3.3117141e-10 2.8282576e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.17e-05 8.49e-05 -5.25e-05 ] [ -1.61e-05 -0.0001034 4.8e-05 ] [ -0.0001444 0.0001084 0.0001783 ] [ 6.4e-05 -0.0001091 -0.00022 ] [ 0.0001083 1.91e-05 4.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.87454666178e-14 1.360247962266e-13 -8.4114273285e-14 ] [ -2.579504380739999e-14 -1.656650639556e-13 7.690447843199999e-14 ] [ -2.313543059496e-13 1.736759471256e-13 2.856680938422e-13 ] [ 1.02539304576e-13 -1.747974707694e-13 -3.5247885948e-13 ] [ 1.735157294622e-13 3.06015737094e-14 7.40205604908e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.968569 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.757358496021675e-18 } }