{ "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" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0847632 -1.7172374 0.0232238 ] [ 1.2387839 0.4960837 -0.6126798 ] [ 8.130429 -0.0503108 0.0221683 ] [ -0.9656849 0.0171508 1.098793 ] [ -0.3187648 1.2543136 -0.5315052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.295321858374419e-08 -2.751317614643378e-09 3.720862940613504e-11 ] [ 1.984750602803445e-09 7.948137060999609e-10 -9.816212515964199e-10 ] [ 1.302638326087432e-08 -8.060678753374464e-11 3.551753198288064e-11 ] [ -1.547197769839586e-09 2.747861078801664e-11 1.760460455698694e-09 ] [ -5.107175100939879e-10 2.009631925071483e-09 -8.515652052736283e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -3.4916747754088995 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.59427969259723e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8563344 0.6468208 2.1281266 ] [ 0.4291057 2.6083083 0.9293579 ] [ 3.1918572 0.5706836 2.2089739 ] [ 2.3034527 1.407157 0.2144679 ] [ 2.2716527 2.7144893 2.3648821 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.563344000000001e-11 6.468208e-11 2.1281266e-10 ] [ 4.291057e-11 2.6083083e-10 9.293579e-11 ] [ 3.1918572e-10 5.706836e-11 2.2089739e-10 ] [ 2.3034527e-10 1.407157e-10 2.144679e-11 ] [ 2.2716527e-10 2.7144893e-10 2.3648821e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 1.25e-05 5.7e-06 ] [ -1.1e-06 -1.28e-05 -9.2e-06 ] [ 1.1e-06 -7.2e-06 -5.2e-06 ] [ -1.3e-06 1.03e-05 4.6e-06 ] [ 1.4e-06 -2.8e-06 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 2.002720776e-14 9.13240673856e-15 ] [ -1.76239428288e-15 -2.050786074624e-14 -1.474002491136e-14 ] [ 1.76239428288e-15 -1.153567166976e-14 -8.33131842816e-15 ] [ -2.08282960704e-15 1.650241919424e-14 7.370012455680001e-15 ] [ 2.24304726912e-15 -4.48609453824e-15 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }