{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4037441 -0.5537434 -3.6686044 ] [ -3.171543 -1.940947 0.3560828 ] [ 1.1332282 0.4120986 3.5595658 ] [ -2.5686896 2.778899 0.6180125 ] [ 3.0905252 -0.8100409 -1.5416713 ] [ 1.0933481 -3.2044849 1.548941 ] [ 1.8268751 3.3182186 -0.8723263 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.249045978605937e-09 -8.871947294023028e-10 -5.877752200644012e-09 ] [ -5.081372046461893e-09 -3.109739905611898e-09 5.705075372290022e-10 ] [ 1.815631728071267e-09 6.602547423844109e-10 5.703053104959249e-09 ] [ -4.115494423212104e-09 4.4522870093645e-09 9.9016517886216e-10 ] [ 4.951567221433244e-09 -1.297828591871791e-09 -2.470029713818343e-09 ] [ 1.751736764216101e-09 -5.134150788486627e-09 2.481677057198573e-09 ] [ 2.926976574341662e-09 5.316372263623707e-09 -1.397620803568967e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 17.231627 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.760810991774604e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8429178 2.5487007 -0.5781049 ] [ -1.1003503 0.7356906 3.7245967 ] [ 3.7942032 3.9099484 6.9504104 ] [ -0.2663002 6.1674755 3.9483654 ] [ 7.2235637 1.7216748 0.6329077 ] [ 4.1120682 -0.9141271 4.323591 ] [ 4.8677107 6.4988261 2.0035937 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8429178e-10 2.5487007e-10 -5.781049e-11 ] [ -1.1003503e-10 7.356906e-11 3.724596700000001e-10 ] [ 3.7942032e-10 3.9099484e-10 6.9504104e-10 ] [ -2.663002e-11 6.1674755e-10 3.9483654e-10 ] [ 7.2235637e-10 1.7216748e-10 6.329077e-11 ] [ 4.112068200000001e-10 -9.141271e-11 4.323591000000001e-10 ] [ 4.8677107e-10 6.4988261e-10 2.0035937e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ -0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 -0.0 0.0 ] [ 0.0 0.0 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" 2.4424907e-15 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.913301496061426e-34 } }