{ "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" [ [ 2.528767 2.719521 3.332257 ] [ 2.679869 4.813542 3.129006 ] [ 6.091314 2.864553 1.221181 ] [ 3.782186 2.699172 1.048642 ] [ 4.900359 1.620716 3.350029 ] [ 4.704911 4.540373 1.710823 ] [ 4.562967 3.751533 4.052534 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.528767e-10 2.719521e-10 3.332257e-10 ] [ 2.679869e-10 4.813542e-10 3.129006e-10 ] [ 6.091314e-10 2.864553e-10 1.221181e-10 ] [ 3.782186e-10 2.699172e-10 1.048642e-10 ] [ 4.900359e-10 1.620716e-10 3.350029e-10 ] [ 4.704911e-10 4.540373e-10 1.710823e-10 ] [ 4.562967000000001e-10 3.751533e-10 4.052534e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8844561 -4.4756876 -0.8475075 ] [ -3.3791033 4.9965811 -0.4019961 ] [ 4.3415917 -2.4423449 -0.0127315 ] [ -4.5986144 -3.4025447 -2.6088332 ] [ 2.0770687 -2.0462146 -0.0802 ] [ 0.9756765 6.027511 -0.389529 ] [ 5.467837 1.3426996 4.3407973 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.825761368743948e-09 -7.170842034724462e-09 -1.357856702452656e-09 ] [ -5.413920306528128e-09 8.005405422351148e-09 -6.440687530727789e-10 ] [ 6.955996718799328e-09 -3.913067898710114e-09 -2.03981116477152e-11 ] [ -7.367792479754219e-09 -5.451477569566949e-09 -4.17981156060685e-09 ] [ 3.327830910935449e-09 -3.278397193259623e-09 -1.2849456498816e-10 ] [ 1.563206077763971e-09 9.657137205814829e-09 -6.240942569236031e-10 ] [ 8.76044060774521e-09 2.151241907877512e-09 6.954723949691765e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5280802 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.366349071674739e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6416532 2.4615684 2.7927993 ] [ 3.2229734 4.681809 3.2445243 ] [ 5.4717529 2.8114361 1.3477116 ] [ 3.3777127 2.1822128 0.6310435 ] [ 4.9372772 1.9930844 3.4728259 ] [ 4.7943948 4.9638051 1.6258792 ] [ 4.8046088 3.9154941 4.7296882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6416532e-10 2.4615684e-10 2.7927993e-10 ] [ 3.2229734e-10 4.681809e-10 3.2445243e-10 ] [ 5.471752900000001e-10 2.8114361e-10 1.3477116e-10 ] [ 3.3777127e-10 2.1822128e-10 6.310435e-11 ] [ 4.9372772e-10 1.9930844e-10 3.4728259e-10 ] [ 4.7943948e-10 4.9638051e-10 1.6258792e-10 ] [ 4.8046088e-10 3.9154941e-10 4.7296882e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.73e-05 -0.0 -2.1e-05 ] [ -3.1e-06 1.48e-05 -7.8e-06 ] [ -2.9e-06 -1.76e-05 -1.4e-06 ] [ 3.8e-06 2.1e-05 2.01e-05 ] [ 4.64e-05 -1.14e-05 -1.4e-05 ] [ -1.07e-05 -1.03e-05 -1.94e-05 ] [ -6.2e-06 3.5e-06 4.36e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.373942174784e-14 0.0 -3.36457090368e-14 ] [ -4.96674752448e-15 2.371221398784e-14 -1.249697764224e-14 ] [ -4.646312200320001e-15 -2.819830852608e-14 -2.24304726912e-15 ] [ 6.08827115904e-15 3.36457090368e-14 3.220375007808e-14 ] [ 7.434099520512001e-14 -1.826481347712e-14 -2.24304726912e-14 ] [ -1.714328984256e-14 -1.650241919424e-14 -3.108222644352e-14 ] [ -9.93349504896e-15 5.6076181728e-15 6.985490066688e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }