{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.7911672 -4.4895366 0.1206476 ] [ -4.7624243 6.7274689 -4.724762 ] [ 1.1053237 -1.097673 4.7060467 ] [ -0.6593777 -0.0079501 0.0824204 ] [ 0.1506606 -0.4426572 0.4269569 ] [ -0.132168 -0.3664761 0.9876005 ] [ -0.4931815 -0.3231759 -1.5989101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.6762960741838e-09 -7.193030578745922e-09 1.932987640756301e-10 ] [ -7.630244871789806e-09 1.077859338873909e-08 -7.56990321524425e-09 ] [ 1.770923790556153e-09 -1.758666017883398e-09 7.539917999132991e-09 ] [ -1.056439535216876e-09 -1.273746435302208e-11 1.320520379569843e-10 ] [ 2.413848909957005e-10 -7.092150168687898e-10 6.840603632692436e-10 ] [ -2.117564796178944e-10 -5.87159439501963e-10 1.58231043179039e-09 ] [ -7.901638691110752e-10 -5.177848713859987e-10 -2.56173638098099e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.641379 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.666242837167209e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1100868 1.3020154 2.1345833 ] [ 1.4913244 3.1679964 2.1360298 ] [ 1.9843108 1.9952421 4.1846566 ] [ 2.7749293 5.1182892 2.9110378 ] [ 4.9820468 2.7124793 2.5303214 ] [ 3.5515882 3.9009275 1.0240748 ] [ 3.7614367 3.5973452 4.411133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1100868e-10 1.3020154e-10 2.1345833e-10 ] [ 1.4913244e-10 3.1679964e-10 2.1360298e-10 ] [ 1.9843108e-10 1.9952421e-10 4.184656600000001e-10 ] [ 2.7749293e-10 5.1182892e-10 2.9110378e-10 ] [ 4.982046800000001e-10 2.7124793e-10 2.5303214e-10 ] [ 3.5515882e-10 3.9009275e-10 1.0240748e-10 ] [ 3.7614367e-10 3.5973452e-10 4.411133000000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.2167622 -0.1307345 0.3221626 ] [ 0.239817 0.1326184 -0.047139 ] [ 0.6182485 0.3002094 -0.3193007 ] [ -0.3857736 -0.1352939 0.0634994 ] [ -0.643848 0.0876886 0.1447061 ] [ 0.3041781 0.0556943 0.0541689 ] [ 0.0841402 -0.3101824 -0.2180971 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.472913291131738e-10 -2.094597594319776e-10 5.161613858161422e-10 ] [ 3.842291906703936e-10 2.124780999679027e-10 -7.55250037278912e-11 ] [ 9.90543292544669e-10 4.809884820243956e-10 -5.115761165450745e-10 ] [ -6.180774428418508e-10 -2.167647235168531e-10 1.017372541148275e-10 ] [ -1.031558212948838e-09 1.404926248306829e-10 2.318447303071469e-10 ] [ 4.873470403793645e-10 8.923210537182144e-11 8.678814515445312e-11 ] [ 1.348074613094362e-10 -4.96966989463634e-10 -3.494300746842797e-10 ] ] } "relaxed-potential-energy" { "source-value" -22.444389 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.595987532394069e-18 } }