{ "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" [ [ 2.638378 0.8784031 3.89936 ] [ 3.076863 3.046669 3.275657 ] [ 5.153788 2.352253 2.384418 ] [ 4.273122 0.1786437 2.239865 ] [ 4.529593 1.652308 4.599133 ] [ 5.775659 4.557099 1.971672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.638378e-10 8.784031e-11 3.89936e-10 ] [ 3.076863e-10 3.046669e-10 3.275657e-10 ] [ 5.153788e-10 2.352253e-10 2.384418e-10 ] [ 4.273122e-10 1.786437e-11 2.239865e-10 ] [ 4.529593e-10 1.652308e-10 4.599133e-10 ] [ 5.775659e-10 4.557099e-10 1.971672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.9869872 -4.2320323 -0.7876755 ] [ -2.2977734 3.8074778 -0.8652584 ] [ 2.3137651 1.7674857 -1.8888921 ] [ -0.2501939 -2.8771108 -2.2520349 ] [ 5.8855935 1.4708746 6.0590444 ] [ 0.3355959 0.0633051 -0.2651836 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.592210920868854e-09 -6.780463209530453e-09 -1.26199527087695e-09 ] [ -3.681438821376127e-09 6.100251915375019e-09 -1.386296779430815e-09 ] [ 3.707060349242974e-09 2.831824266138322e-09 -3.026338761833816e-09 ] [ -4.008548172467732e-10 -4.609639659211185e-09 -3.608157666005666e-09 ] [ 9.429760305232444e-09 2.356600896248552e-09 9.707659282069163e-09 ] [ 5.376839050163347e-10 1.014259511974061e-10 -4.248709641395789e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.603358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.698845228957265e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9533358 0.5266521 3.7168151 ] [ 2.5762503 3.065 3.685674 ] [ 4.8274169 2.5656264 2.5636673 ] [ 4.2789938 0.383624 1.7120259 ] [ 4.5381631 2.0368576 5.0562089 ] [ 6.2732432 4.0876157 1.6357138 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9533358e-10 5.266521e-11 3.7168151e-10 ] [ 2.5762503e-10 3.065e-10 3.685674000000001e-10 ] [ 4.8274169e-10 2.5656264e-10 2.5636673e-10 ] [ 4.2789938e-10 3.836240000000001e-11 1.7120259e-10 ] [ 4.5381631e-10 2.0368576e-10 5.0562089e-10 ] [ 6.2732432e-10 4.0876157e-10 1.6357138e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.94e-05 -3.5e-05 1.04e-05 ] [ 2e-05 -4.35e-05 -1.02e-05 ] [ 6.22e-05 3.07e-05 -2.94e-05 ] [ -6.61e-05 2.82e-05 1.97e-05 ] [ -3.38e-05 2.65e-05 -7e-06 ] [ -1.7e-06 -7.1e-06 1.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.108222644352e-14 -5.6076181728e-14 1.666263685632e-14 ] [ 3.2043532416e-14 -6.969468300480001e-14 -1.634220153216e-14 ] [ 9.965538581376e-14 4.918682225856e-14 -4.710399265152e-14 ] [ -1.0590387463488e-13 4.518138070656001e-14 3.156287942976e-14 ] [ -5.415356978304e-14 4.24576804512e-14 -1.12152363456e-14 ] [ -2.72370025536e-15 -1.137545400768e-14 2.64359142432e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.410021 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.148522213063704e-18 } }