{ "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" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -55.422874 13.7071027 -110.794412 ] [ 45.4452607 -69.3006373 105.24971 ] [ 4.5900727 11.1516224 52.4112272 ] [ -18.5244407 42.613837 -25.8275158 ] [ 14.9473503 -6.0504672 -24.7252411 ] [ 8.9646311 7.8785423 3.6862316 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.879723298034419e-08 2.196119948484456e-08 -1.77512216621683e-07 ] [ 7.281133421970105e-08 -1.110318608886004e-07 1.686286247079799e-07 ] [ 7.354107167712333e-09 1.786686869326959e-08 8.397204288727704e-08 ] [ -2.967942580293599e-08 6.8274893363982e-08 -4.138024198810261e-08 ] [ 2.394829519356787e-08 -9.693917092757239e-09 -3.961420323406328e-08 ] [ 1.436292236251659e-08 1.262281627904386e-08 5.905994088374177e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 50.423283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.078700516658208e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1190958 0.5923042 0.5354968 ] [ 0.4772799 -0.1643193 2.7664148 ] [ 1.1946397 2.0056494 3.4526019 ] [ -0.1253064 2.856319 1.3392151 ] [ 2.3625796 1.0622443 -0.1154126 ] [ 2.5053674 2.8582834 1.4492271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.190958e-11 5.923042e-11 5.354968e-11 ] [ 4.772799e-11 -1.643193e-11 2.7664148e-10 ] [ 1.1946397e-10 2.0056494e-10 3.4526019e-10 ] [ -1.253064e-11 2.856319e-10 1.3392151e-10 ] [ 2.3625796e-10 1.0622443e-10 -1.154126e-11 ] [ 2.5053674e-10 2.8582834e-10 1.4492271e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.55e-05 3.97e-05 4.61e-05 ] [ -2.86e-05 7.3e-06 2.9e-06 ] [ 2.45e-05 -4.59e-05 -6.39e-05 ] [ -5.9e-06 -1.05e-05 -4.1e-06 ] [ 5.7e-06 2.39e-05 5.33e-05 ] [ -3.13e-05 -1.45e-05 -3.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.68772700384e-14 6.360641184576e-14 7.386034221888001e-14 ] [ -4.582225135488e-14 1.169588933184e-14 4.646312200320001e-15 ] [ 3.92533272096e-14 -7.353990689472e-14 -1.0237908606912e-13 ] [ -9.45284206272e-15 -1.68228545184e-14 -6.568924145279999e-15 ] [ 9.13240673856e-15 3.829202123712e-14 8.539601388864e-14 ] [ -5.014812823104e-14 -2.32315610016e-14 -5.52750934176e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.124626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.423232217554382e-18 } }