{ "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" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1105475 2.4871413 1.3745621 ] [ -38.7879056 19.2569444 1.8561397 ] [ 3.8121325 -23.1075783 9.0867367 ] [ 4.7050938 14.0981758 -46.1699504 ] [ 27.1601318 -12.7346831 33.8525119 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.983646482387888e-09 3.98483964348612e-09 2.202291260457751e-09 ] [ -6.21450755221174e-08 3.085302610572548e-08 2.973863632278726e-09 ] [ 6.107709566891856e-09 -3.702242171556541e-08 1.455855710010534e-08 ] [ 7.538391285031032e-09 2.258776766268833e-08 -7.39724151143756e-08 ] [ 4.351532818780662e-08 -2.040321153611687e-08 5.42377031215338e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 15.867997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.542333381232454e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5694754 0.7289976 -0.6677928 ] [ 0.6656536 3.0759645 2.919448 ] [ 2.9462424 -0.4302422 3.8635246 ] [ 1.5881421 2.2044063 0.7651511 ] [ 2.7208326 1.6519533 2.9246417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.694754e-11 7.289976e-11 -6.677928e-11 ] [ 6.656535999999999e-11 3.0759645e-10 2.919448e-10 ] [ 2.9462424e-10 -4.302422e-11 3.8635246e-10 ] [ 1.5881421e-10 2.2044063e-10 7.651511e-11 ] [ 2.7208326e-10 1.6519533e-10 2.9246417e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-05 -1.27e-05 3.7e-06 ] [ -2.44e-05 -2.34e-05 1.28e-05 ] [ -1.86e-05 1.36e-05 1.71e-05 ] [ 2.76e-05 3.93e-05 -9.8e-06 ] [ 3.14e-05 -1.67e-05 -2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-14 -2.034764308416e-14 5.928053496960001e-15 ] [ -3.909310954752e-14 -3.749093292672001e-14 2.050786074624e-14 ] [ -2.980048514688e-14 2.178960204288e-14 2.739722021568e-14 ] [ 4.422007473408001e-14 6.296554119743999e-14 -1.570133088384e-14 ] [ 5.030834589312e-14 -2.675634956736e-14 -3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.140566 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.624697776687937e-18 } }