{ "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" [ [ 0.09862 0.3102875 1.608695 ] [ 0.216089 2.435481 0.8089597 ] [ 1.587261 0.9923217 0.3598848 ] [ 2.442881 2.780277 0.9615339 ] [ 1.769015 1.574471 2.844855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.862e-12 3.102875e-11 1.608695e-10 ] [ 2.16089e-11 2.435481e-10 8.089597e-11 ] [ 1.587261e-10 9.923217e-11 3.598848e-11 ] [ 2.442881e-10 2.780277e-10 9.615339e-11 ] [ 1.769015e-10 1.574471e-10 2.844855e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1653736 -3.5368219 2.9405279 ] [ -6.0158493 5.4225377 -1.1023896 ] [ 4.2058588 -5.4545651 -5.8178305 ] [ 3.9367584 3.9205968 0.6491401 ] [ 1.0386058 -0.3517475 3.3305521 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.071487578017532e-09 -5.666613360113436e-09 4.711245054190121e-09 ] [ -9.638453102716046e-09 8.687863128346605e-09 -1.766222844133064e-09 ] [ 6.738528639745943e-09 -8.739176679851614e-09 -9.321192010877175e-09 ] [ 6.307382270218015e-09 6.281488532543294e-09 1.040037091843774e-09 ] [ 1.664029930987281e-09 -5.63561620924848e-10 5.336132708976344e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.7791082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.086132866791357e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2264231 0.5678241 1.6087701 ] [ -0.1947965 2.8353332 0.8582447 ] [ 2.0057403 0.4996727 -0.0379534 ] [ 2.2191231 2.6693114 1.0248017 ] [ 1.8573759 1.5206968 3.1300654 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.264231e-11 5.678241000000001e-11 1.6087701e-10 ] [ -1.947965e-11 2.8353332e-10 8.582447e-11 ] [ 2.0057403e-10 4.996727e-11 -3.79534e-12 ] [ 2.2191231e-10 2.6693114e-10 1.0248017e-10 ] [ 1.8573759e-10 1.5206968e-10 3.1300654e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-06 5e-07 -3e-07 ] [ -7e-07 1.1e-06 0.0 ] [ 5e-07 -1e-06 -8e-07 ] [ -8e-07 -5e-07 -2e-07 ] [ 0.0 -1e-07 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6021766208e-15 8.010883104e-16 -4.8065298624e-16 ] [ -1.12152363456e-15 1.76239428288e-15 0.0 ] [ 8.010883104e-16 -1.6021766208e-15 -1.28174129664e-15 ] [ -1.28174129664e-15 -8.010883104e-16 -3.2043532416e-16 ] [ 0.0 -1.6021766208e-16 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.415273 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.668710689984948e-18 } }