{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.572628 -8.2441761 -5.4840253 ] [ -5.8432973 2.6348871 3.4918519 ] [ -1.8358027 6.2702504 0.8265241 ] [ 5.517881 1.368138 -0.3000633 ] [ 1.1865459 4.7405085 3.4806358 ] [ -1.7328527 -2.858227 3.1151962 ] [ 4.2801537 -3.9113809 -5.1301195 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.519627835574152e-09 -1.320862631400125e-08 -8.78637719592484e-09 ] [ -9.361994399575285e-09 4.221554544848021e-09 5.594563523568504e-09 ] [ -2.941280190574111e-09 1.004604868020915e-08 1.324237600457879e-09 ] [ 8.840620007392554e-09 2.191998735687492e-09 -4.807544079809321e-10 ] [ 1.9010561161485e-09 7.595131951978389e-09 5.576593350223897e-09 ] [ -2.776336106103812e-09 -4.579384514067917e-09 4.991094561965591e-09 ] [ 6.857562248068644e-09 -6.26672308465389e-09 -8.219357592527762e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.5560088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.531041401365838e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6706968 0.4432337 1.8303288 ] [ 1.9668857 2.2646531 3.4145138 ] [ 3.2337379 3.9350469 2.256836 ] [ 5.0258888 3.1161529 1.8505865 ] [ 4.1829248 2.3368663 4.684239 ] [ 3.2488228 0.0291592 5.215348 ] [ 4.9747272 0.8902525 2.7326578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6706968e-10 4.432337e-11 1.8303288e-10 ] [ 1.9668857e-10 2.2646531e-10 3.4145138e-10 ] [ 3.2337379e-10 3.9350469e-10 2.256836e-10 ] [ 5.0258888e-10 3.1161529e-10 1.8505865e-10 ] [ 4.1829248e-10 2.3368663e-10 4.684239e-10 ] [ 3.2488228e-10 2.91592e-12 5.215347999999999e-10 ] [ 4.974727200000001e-10 8.902525e-11 2.7326578e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.2e-05 4.23e-05 4.59e-05 ] [ -1.38e-05 3.24e-05 -3.9e-05 ] [ 0.000101 -4.75e-05 1.46e-05 ] [ -0.0001512 3.19e-05 4.06e-05 ] [ -1.1e-06 5.24e-05 -6.75e-05 ] [ 6.6e-06 -4.53e-05 -6.2e-06 ] [ 1.64e-05 -6.63e-05 1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.729141862799998e-14 6.77720716182e-14 7.353990750059999e-14 ] [ -2.21100375492e-14 5.19105229416e-14 -6.248488872599999e-14 ] [ 1.61819840034e-13 -7.6103390115e-14 2.33917788564e-14 ] [ -2.422491070608e-13 5.11094346246e-14 6.504837134039999e-14 ] [ -1.7623942974e-15 8.395405562159998e-14 -1.08146922795e-13 ] [ 1.05743657844e-14 -7.25786015202e-14 -9.9334951308e-15 ] [ 2.62756967976e-14 -1.062243108342e-13 1.85852489544e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.329391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.77647453416499e-18 } }