{ "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" [ [ 2.91343 2.805447 1.311156 ] [ 2.653002 2.505168 3.277079 ] [ 1.829519 4.618852 2.376516 ] [ 4.982305 1.900488 2.423676 ] [ 4.143762 3.996307 2.985709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.91343e-10 2.805447e-10 1.311156e-10 ] [ 2.653002e-10 2.505168e-10 3.277079e-10 ] [ 1.829519e-10 4.618852000000001e-10 2.376516e-10 ] [ 4.982305e-10 1.900488e-10 2.423676e-10 ] [ 4.143762e-10 3.996307e-10 2.985709e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5247063 -3.8880871 -14.3271521 ] [ -7.272866 -7.8642584 10.3721282 ] [ -6.077604 7.0184415 -0.8289382 ] [ 7.0574826 -4.528668 -0.6726622 ] [ 9.8176937 9.2625719 5.4566244 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.647202029046472e-09 -6.229402251254072e-09 -2.295462813726562e-08 ] [ -1.165241587141121e-08 -1.259993094841001e-08 1.661798130998039e-08 ] [ -9.737395039280564e-09 1.124478288575248e-08 -1.328105404128034e-09 ] [ 1.13073336234228e-08 -7.255725992965094e-09 -1.077723650535894e-09 ] [ 1.572967931631545e-08 1.484027614665904e-08 8.742476042166826e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.29806615 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.775546169818659e-20 } "relaxed-configuration-positions" { "source-value" [ [ 3.0145161 2.8354546 0.700854 ] [ 2.4086333 2.2000088 3.7419831 ] [ 2.1427883 4.2320858 2.4663127 ] [ 4.4660205 2.0984165 2.4833423 ] [ 4.4900598 4.4602962 2.9816439 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0145161e-10 2.8354546e-10 7.00854e-11 ] [ 2.4086333e-10 2.2000088e-10 3.7419831e-10 ] [ 2.1427883e-10 4.2320858e-10 2.4663127e-10 ] [ 4.4660205e-10 2.0984165e-10 2.4833423e-10 ] [ 4.4900598e-10 4.4602962e-10 2.9816439e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-06 -9.8e-06 -1.3e-06 ] [ -1.2e-06 3.8e-06 -1.9e-06 ] [ -1.78e-05 5.9e-06 5.4e-06 ] [ 1.8e-06 9.3e-06 -5.3e-06 ] [ 1.11e-05 -9.1e-06 3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.77327738688e-15 -1.570133088384e-14 -2.08282960704e-15 ] [ -1.92261194496e-15 6.08827115904e-15 -3.04413557952e-15 ] [ -2.851874385024e-14 9.45284206272e-15 8.65175375232e-15 ] [ 2.88391791744e-15 1.490024257344e-14 -8.491536090240001e-15 ] [ 1.778416049088e-14 -1.457980724928e-14 4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.3509582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.337970998931805e-18 } }