{ "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" [ [ 2.673592 1.767732 1.794498 ] [ 2.791934 4.53061 0.3856556 ] [ 2.184868 4.104179 2.619474 ] [ 3.820974 5.464835 2.237655 ] [ 4.399704 3.304978 2.526424 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.673592000000001e-10 1.767732e-10 1.794498e-10 ] [ 2.791934e-10 4.53061e-10 3.856556e-11 ] [ 2.184868e-10 4.104179e-10 2.619474e-10 ] [ 3.820974e-10 5.464835e-10 2.237655e-10 ] [ 4.399704e-10 3.304978e-10 2.526424e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.6997883 -2.7040623 -0.5082559 ] [ -2.5310422 1.6667838 -8.2372574 ] [ -8.9493169 -0.8873951 4.3639301 ] [ 4.1490003 7.2064335 0.9603799 ] [ 8.0311471 -5.2817599 3.4212033 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.121184453769377e-09 -4.332385398246676e-09 -8.143157203636627e-10 ] [ -4.055176639098198e-09 2.670482036288183e-09 -1.31975412257918e-08 ] [ -1.433838630931033e-08 -1.421763682632478e-09 6.991786781025407e-09 ] [ 6.647431280352187e-09 1.154597927304992e-08 1.538698222866242e-09 ] [ 1.286731612182572e-08 -8.462312228458946e-09 5.48137194226381e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4684825 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.352768329553936e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.6626448 2.3103741 1.5895868 ] [ 2.9953906 4.2837541 0.076856 ] [ 1.7092258 4.0753093 3.096006 ] [ 3.685784 5.3585596 2.2358958 ] [ 4.8180268 3.1443369 2.565362 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6626448e-10 2.3103741e-10 1.5895868e-10 ] [ 2.9953906e-10 4.2837541e-10 7.6856e-12 ] [ 1.7092258e-10 4.0753093e-10 3.096006e-10 ] [ 3.685784e-10 5.3585596e-10 2.2358958e-10 ] [ 4.818026800000001e-10 3.1443369e-10 2.565362e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 -1.5e-06 -4e-07 ] [ 2e-07 -3e-07 9e-07 ] [ 1e-06 -0.0 -5e-07 ] [ 6e-07 9e-07 5e-07 ] [ -1.5e-06 1e-06 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 -2.4032649312e-15 -6.408706483200001e-16 ] [ 3.2043532416e-16 -4.8065298624e-16 1.44195895872e-15 ] [ 1.6021766208e-15 0.0 -8.010883104e-16 ] [ 9.6130597248e-16 1.44195895872e-15 8.010883104e-16 ] [ -2.4032649312e-15 1.6021766208e-15 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }