{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.91701 1.98827 2.508844 ] [ 2.572173 1.794465 4.860558 ] [ 4.363165 1.510923 1.91691 ] [ 4.651171 2.095892 4.214607 ] [ 5.448722 3.893309 2.444809 ] [ 3.326625 3.729664 3.343147 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.91701e-10 1.98827e-10 2.508844e-10 ] [ 2.572173e-10 1.794465e-10 4.860558000000001e-10 ] [ 4.363165000000001e-10 1.510923e-10 1.91691e-10 ] [ 4.651171e-10 2.095892e-10 4.214607e-10 ] [ 5.448722e-10 3.893309e-10 2.444809e-10 ] [ 3.326625e-10 3.729664e-10 3.343147e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.158699 -1.6908437 -3.9705226 ] [ -3.8575687 -3.6388061 5.2211298 ] [ 1.8339145 -6.3411721 -5.6814802 ] [ 7.5994781 -4.7211872 7.1180124 ] [ 4.0342823 3.9213335 -2.9987195 ] [ -4.4514072 12.4706756 0.31158 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.265146931544341e-09 -2.709030245566969e-09 -6.36147848207803e-09 ] [ -6.180506384269849e-09 -5.830010061044428e-09 8.365172099722181e-09 ] [ 2.938254936446121e-09 -1.015967768708924e-08 -9.102734747978109e-09 ] [ 1.217570614210161e-08 -7.564175754260213e-09 1.14043130538445e-08 ] [ 6.463632782767252e-09 6.282668856059837e-09 -4.804478275237066e-09 ] [ -7.13194054550079e-09 1.998022489190101e-08 4.99206191508864e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -1.7610222 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.821468597549782e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2404885 2.2852304 2.7553332 ] [ 2.5725295 1.4798204 5.0085524 ] [ 4.6134963 1.6855477 2.2403912 ] [ 4.861599 0.9013739 4.5118359 ] [ 5.1399032 4.0410409 2.1380004 ] [ 2.8508495 4.6195097 2.634762 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2404885e-10 2.2852304e-10 2.7553332e-10 ] [ 2.5725295e-10 1.4798204e-10 5.008552400000001e-10 ] [ 4.613496300000001e-10 1.6855477e-10 2.2403912e-10 ] [ 4.861599e-10 9.013739e-11 4.511835900000001e-10 ] [ 5.1399032e-10 4.041040899999999e-10 2.1380004e-10 ] [ 2.8508495e-10 4.6195097e-10 2.634762e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.7e-06 -4.3e-06 2.1e-06 ] [ -3e-07 2.5e-06 8.7e-06 ] [ 2.4e-06 -3.7e-06 -5.9e-06 ] [ 2.9e-06 -3.7e-06 -4.7e-06 ] [ 1.15e-05 4.9e-06 8.9e-06 ] [ -6.8e-06 4.3e-06 -9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.554111322176e-14 -6.889359469440001e-15 3.36457090368e-15 ] [ -4.8065298624e-16 4.005441552e-15 1.393893660096e-14 ] [ 3.84522388992e-15 -5.928053496960001e-15 -9.45284206272e-15 ] [ 4.646312200320001e-15 -5.928053496960001e-15 -7.53023011776e-15 ] [ 1.84250311392e-14 7.850665441919999e-15 1.425937192512e-14 ] [ -1.089480102144e-14 6.889359469440001e-15 -1.44195895872e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.9523637 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.434326782103859e-18 } }