{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0187741 0.7622078 0.9176255 ] [ 0.4971731 -1.0567985 -0.6209132 ] [ -3.4686994 1.8188294 1.2551755 ] [ -7.9172885 2.6362067 -2.6204169 ] [ 2.9555165 -3.0047107 1.9256821 ] [ 2.3360479 -6.7222449 -8.0444435 ] [ 4.5784763 5.5665103 7.1872904 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.632256044896561e-09 1.221191517351402e-09 1.470198122749911e-09 ] [ 7.965591173106605e-10 -1.693177849596509e-09 -9.948126125861147e-10 ] [ -5.557469083262988e-09 2.914085941903692e-09 2.01101284110095e-09 ] [ -1.26848945348287e-08 4.223668742336319e-09 -4.198370693929211e-09 ] [ 4.735259438688643e-09 -4.814077235807602e-09 3.085282839713047e-09 ] [ 3.742761330448936e-09 -1.077022361807203e-08 -1.288861930304652e-08 ] [ 7.335527686746887e-09 8.918532662102395e-09 1.151530864578028e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -18.830678 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.01700720454129e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0431259 3.0596471 1.2340834 ] [ 1.6329519 1.4022858 2.8509833 ] [ 1.1015631 3.0859501 4.4390644 ] [ 1.5126324 4.7405194 2.819534 ] [ 3.4282332 2.4287089 4.1389493 ] [ 4.281729 3.0848709 1.953445 ] [ 3.7503525 4.7685308 3.5415338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0431259e-10 3.0596471e-10 1.2340834e-10 ] [ 1.6329519e-10 1.4022858e-10 2.8509833e-10 ] [ 1.1015631e-10 3.0859501e-10 4.4390644e-10 ] [ 1.5126324e-10 4.7405194e-10 2.819534e-10 ] [ 3.4282332e-10 2.4287089e-10 4.1389493e-10 ] [ 4.281729e-10 3.0848709e-10 1.953445e-10 ] [ 3.7503525e-10 4.7685308e-10 3.5415338e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.02e-05 2.47e-05 -8.5e-06 ] [ -7.9e-06 8e-06 -1e-06 ] [ -1.44e-05 4.2e-06 3.04e-05 ] [ -4.7e-06 -1.98e-05 -1.86e-05 ] [ 1.69e-05 -1.87e-05 1.46e-05 ] [ 1.16e-05 -1.11e-05 -1.7e-05 ] [ -1.17e-05 1.28e-05 2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.634220153216e-14 3.957376253376001e-14 -1.36185012768e-14 ] [ -1.265719530432e-14 1.28174129664e-14 -1.6021766208e-15 ] [ -2.307134333952e-14 6.72914180736e-15 4.870616927232e-14 ] [ -7.53023011776e-15 -3.172309709184e-14 -2.980048514688e-14 ] [ 2.707678489152e-14 -2.996070280896e-14 2.339177866368e-14 ] [ 1.858524880128e-14 -1.778416049088e-14 -2.72370025536e-14 ] [ -1.874546646336e-14 2.050786074624e-14 3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }