{ "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" [ [ 2.700129 2.133533 1.415237 ] [ 2.985807 2.812498 3.555959 ] [ 1.950344 4.41901 2.566342 ] [ 5.113997 2.527784 1.58139 ] [ 5.483026 3.06067 3.469124 ] [ 3.944653 4.730231 1.719663 ] [ 3.598129 4.831394 3.870985 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700129e-10 2.133533e-10 1.415237e-10 ] [ 2.985807e-10 2.812498e-10 3.555959e-10 ] [ 1.950344e-10 4.41901e-10 2.566342e-10 ] [ 5.113997e-10 2.527784e-10 1.58139e-10 ] [ 5.483026e-10 3.06067e-10 3.469124e-10 ] [ 3.944653e-10 4.730231e-10 1.719663e-10 ] [ 3.598129e-10 4.831394000000001e-10 3.870985e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1081031 -2.179593 -4.1032209 ] [ -3.0644161 -12.5331321 9.2014528 ] [ -12.2892315 3.4076855 -4.1926802 ] [ 1.1858967 -3.467023 -8.2910471 ] [ 4.6034742 1.1997262 7.2787325 ] [ 5.771678 5.0635944 -9.7334362 ] [ 4.9007017 8.5087419 9.840199 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.775376880256004e-09 -3.492092947459334e-09 -6.574084595957935e-09 ] [ -4.909735831823115e-09 -2.008029123601801e-08 1.47423525535547e-08 ] [ -1.968951939689892e-08 5.459714039139159e-09 -6.717414194931068e-09 ] [ 1.900015967423872e-09 -5.554783194375879e-09 -1.328372182557164e-08 ] [ 7.375578737695984e-09 1.922173269001225e-09 1.166181504055714e-08 ] [ 9.247247554385702e-09 8.112772564893805e-09 -1.559468391968839e-08 ] [ 7.851789689254815e-09 1.363250734460137e-08 1.576573678181954e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.170886 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.590861548682203e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5546102 2.5462583 1.0400292 ] [ 3.2120906 2.4363624 3.5918937 ] [ 1.7132468 4.3577825 2.5829455 ] [ 4.9543994 2.055758 1.6487349 ] [ 5.5961878 3.5641354 3.5678515 ] [ 4.1525046 4.5679576 1.6020204 ] [ 3.5930457 4.9868659 4.1452248 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5546102e-10 2.5462583e-10 1.0400292e-10 ] [ 3.2120906e-10 2.4363624e-10 3.5918937e-10 ] [ 1.7132468e-10 4.3577825e-10 2.5829455e-10 ] [ 4.9543994e-10 2.055758e-10 1.6487349e-10 ] [ 5.5961878e-10 3.5641354e-10 3.5678515e-10 ] [ 4.152504600000001e-10 4.5679576e-10 1.6020204e-10 ] [ 3.5930457e-10 4.9868659e-10 4.1452248e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.3e-06 4e-07 9e-07 ] [ -2e-06 -5e-06 7.2e-06 ] [ -7e-07 2.8e-06 2.3e-06 ] [ 6.2e-06 -5.9e-06 -2.1e-06 ] [ -3e-07 -8e-07 -2.1e-06 ] [ 4.6e-06 9e-06 -4.9e-06 ] [ -5.5e-06 -6e-07 -1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.68500622784e-15 6.408706483200001e-16 1.44195895872e-15 ] [ -3.2043532416e-15 -8.010883104e-15 1.153567166976e-14 ] [ -1.12152363456e-15 4.48609453824e-15 3.68500622784e-15 ] [ 9.93349504896e-15 -9.45284206272e-15 -3.36457090368e-15 ] [ -4.8065298624e-16 -1.28174129664e-15 -3.36457090368e-15 ] [ 7.370012455680001e-15 1.44195895872e-14 -7.850665441919999e-15 ] [ -8.8119714144e-15 -9.6130597248e-16 -2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -24.454184 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.917992188554143e-18 } }